*HEADER    STRUCTURAL GENOMICS, UNKNOWN FUNCTION   20-JUN-07   2JR5              
*TITLE     SOLUTION STRUCTURE OF UPF0350 PROTEIN VC_2471. NORTHEAST              
*TITLE    2 STRUCTURAL GENOMICS TARGET VCR36                                     
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: UPF0350 PROTEIN VC_2471;                                   
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: VIBRIO CHOLERAE;                                
*SOURCE   3 ORGANISM_COMMON: BACTERIA;                                           
*SOURCE   4 STRAIN: EL TOR INABA N16961;                                         
*SOURCE   5 ATCC: 39315;                                                         
*SOURCE   6 GENE: VC_2471;                                                       
*SOURCE   7 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   8 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   9 EXPRESSION_SYSTEM_STRAIN: BL21(DE3)+MAGIC;                           
*SOURCE  10 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID                               
*KEYWDS    STRUCTURE, NMR, UPF0350 PROTEIN VC_2471, STRUCTURAL                   
*KEYWDS   2 GENOMICS, PSI, PROTEIN STRUCTURE INITIATIVE, NORTHEAST               
*KEYWDS   3 STRUCTURAL GENOMICS CONSORTIUM, NESG                                 
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    Y.WU, D.PARISH, K.SINGARAPU, D.SUKUMARAN, A.ELETSKI,                  
*AUTHOR   2 R.SHASTRY, C.NWOSU, M.MAGLAQUI, R.XIAO, J.LIU, M.C.BARAN,            
*AUTHOR   3 G.SWAPNA, T.B.ACTON, B.ROST, G.T.MONTELIONE, T.SZYPERSKI,            
*AUTHOR   4 NORTHEAST STRUCTURAL GENOMICS CONSORTIUM (NESG)                      
*REVDAT   1   24-JUL-07 2JR5    0                                                


assign ( resid    2 and name HA   )   ( resid    3 and name HN   )   2.39  0.59  0.59
assign ( resid    2 and name HB2  )   ( resid    3 and name HN   )   3.05  1.26  1.26
assign ( resid    2 and name HB1  )   ( resid    3 and name HN   )   3.05  1.26  1.26
assign ( resid    3 and name HN   )   ( resid    4 and name HN   )   3.11  1.31  1.31
assign ( resid    3 and name HA   )   ( resid    4 and name HN   )   2.51  0.72  0.72
assign ( resid    3 and name HB   )   ( resid    4 and name HN   )   2.55  0.75  0.75
assign ( resid    4 and name HN   )   ( resid    5 and name HN   )   2.87  1.08  1.08
assign ( resid    5 and name HB2  )   ( resid    6 and name HN   )   2.75  0.95  0.95
assign ( resid    5 and name HB1  )   ( resid    6 and name HN   )   2.75  0.95  0.95
assign ( resid    7 and name HN   )   ( resid    8 and name HN   )   2.62  0.82  0.82
assign ( resid    9 and name HN   )   ( resid   10 and name HN   )   2.66  0.86  0.86
assign ( resid   10 and name HB   )   ( resid   11 and name HN   )   2.82  1.02  1.02
assign ( resid   16 and name HN   )   ( resid   17 and name HN   )   3.50  1.71  1.71
assign ( resid   16 and name HB2  )   ( resid   17 and name HN   )   3.00  1.20  1.20
assign ( resid   16 and name HB1  )   ( resid   17 and name HN   )   3.00  1.20  1.20
assign ( resid   19 and name HN   )   ( resid   20 and name HN   )   3.00  1.20  1.20
assign ( resid   19 and name HB2  )   ( resid   20 and name HN   )   2.80  1.00  1.00
assign ( resid   20 and name HN   )   ( resid   21 and name HN   )   2.84  1.04  1.04
assign ( resid   21 and name HB2  )   ( resid   22 and name HN   )   3.20  1.40  1.40
assign ( resid   22 and name HN   )   ( resid   23 and name HN   )   2.87  1.08  1.08
assign ( resid   22 and name HB2  )   ( resid   23 and name HN   )   2.91  1.11  1.11
assign ( resid   22 and name HB1  )   ( resid   23 and name HN   )   2.91  1.11  1.11
assign ( resid   24 and name HN   )   ( resid   25 and name HN   )   2.58  0.79  0.79
assign ( resid   24 and name HB   )   ( resid   25 and name HN   )   3.11  1.31  1.31
assign ( resid   25 and name HN   )   ( resid   26 and name HN   )   2.80  1.00  1.00
assign ( resid   25 and name HB   )   ( resid   26 and name HN   )   2.75  0.95  0.95
assign ( resid   27 and name HB2  )   ( resid   28 and name HN   )   3.02  1.22  1.22
assign ( resid   30 and name HN   )   ( resid   31 and name HN   )   2.75  0.95  0.95
assign ( resid   30 and name HB1  )   ( resid   31 and name HN   )   2.76  0.97  0.97
assign ( resid   30 and name HB2  )   ( resid   31 and name HN   )   2.58  0.79  0.79
assign ( resid   32 and name HB2  )   ( resid   33 and name HN   )   3.43  1.63  1.63
assign ( resid   32 and name HB1  )   ( resid   33 and name HN   )   3.43  1.63  1.63
assign ( resid   33 and name HN   )   ( resid   34 and name HN   )   2.76  0.97  0.97
assign ( resid   33 and name HB2  )   ( resid   34 and name HN   )   3.00  1.20  1.20
assign ( resid   33 and name HB1  )   ( resid   34 and name HN   )   3.00  1.20  1.20
assign ( resid   34 and name HB2  )   ( resid   35 and name HN   )   3.09  1.29  1.29
assign ( resid   34 and name HB1  )   ( resid   35 and name HN   )   3.09  1.29  1.29
assign ( resid   36 and name HN   )   ( resid   37 and name HN   )   3.48  1.69  1.69
assign ( resid   37 and name HN   )   ( resid   40 and name HB1  )   2.91  1.11  1.11
assign ( resid   37 and name HN   )   ( resid   38 and name HN   )   3.68  1.89  1.89
assign ( resid   37 and name HB   )   ( resid   38 and name HN   )   2.46  0.66  0.66
assign ( resid   38 and name HN   )   ( resid   39 and name HN   )   2.69  0.90  0.90
assign ( resid   38 and name HB2  )   ( resid   39 and name HN   )   2.60  0.81  0.81
assign ( resid   38 and name HB1  )   ( resid   39 and name HN   )   2.71  0.91  0.91
assign ( resid   39 and name HB2  )   ( resid   40 and name HN   )   3.07  1.27  1.27
assign ( resid   39 and name HB1  )   ( resid   40 and name HN   )   3.07  1.27  1.27
assign ( resid   41 and name HN   )   ( resid   42 and name HN   )   2.73  0.93  0.93
assign ( resid   41 and name HB2  )   ( resid   42 and name HN   )   3.02  1.22  1.22
assign ( resid   41 and name HB1  )   ( resid   42 and name HN   )   3.02  1.22  1.22
assign ( resid   42 and name HB2  )   ( resid   43 and name HN   )   2.80  1.00  1.00
assign ( resid   42 and name HB1  )   ( resid   43 and name HN   )   2.80  1.00  1.00
assign ( resid   43 and name HB2  )   ( resid   44 and name HN   )   2.87  1.08  1.08
assign ( resid   43 and name HB1  )   ( resid   44 and name HN   )   2.87  1.08  1.08
assign ( resid   44 and name HB2  )   ( resid   45 and name HN   )   2.91  1.11  1.11
assign ( resid   44 and name HB1  )   ( resid   45 and name HN   )   2.84  1.04  1.04
assign ( resid   45 and name HB   )   ( resid   46 and name HN   )   2.62  0.82  0.82
assign ( resid   47 and name HB1  )   ( resid   48 and name HN   )   2.84  1.04  1.04
assign ( resid   47 and name HB2  )   ( resid   48 and name HN   )   2.93  1.13  1.13
assign ( resid   48 and name HB2  )   ( resid   49 and name HN   )   3.23  1.44  1.44
assign ( resid   48 and name HB1  )   ( resid   49 and name HN   )   3.23  1.44  1.44
assign ( resid   49 and name HN   )   ( resid   50 and name HN   )   2.58  0.79  0.79
assign ( resid   49 and name HB1  )   ( resid   50 and name HN   )   3.20  1.40  1.40
assign ( resid   50 and name HN   )   ( resid   51 and name HN   )   3.38  1.58  1.58
assign ( resid   50 and name HB2  )   ( resid   51 and name HN   )   2.89  1.09  1.09
assign ( resid   51 and name HA   )   ( resid   52 and name HN   )   2.42  0.63  0.63
assign ( resid   53 and name HB2  )   ( resid   54 and name HN   )   2.98  1.18  1.18
assign ( resid   53 and name HB1  )   ( resid   54 and name HN   )   2.98  1.18  1.18
assign ( resid   54 and name HB1  )   ( resid   55 and name HN   )   3.47  1.67  1.67
assign ( resid   55 and name HN   )   ( resid   56 and name HN   )   2.82  1.02  1.02
assign ( resid   55 and name HB2  )   ( resid   56 and name HN   )   2.87  1.08  1.08
assign ( resid   55 and name HB1  )   ( resid   56 and name HN   )   2.87  1.08  1.08
assign ( resid   56 and name HB1  )   ( resid   57 and name HN   )   2.73  0.93  0.93
assign ( resid   56 and name HB2  )   ( resid   57 and name HN   )   2.84  1.04  1.04
assign ( resid   57 and name HN   )   ( resid   58 and name HN   )   2.69  0.90  0.90
assign ( resid   58 and name HB1  )   ( resid   59 and name HN   )   3.27  1.47  1.47
assign ( resid   58 and name HB2  )   ( resid   59 and name HN   )   3.12  1.33  1.33
assign ( resid   59 and name HN   )   ( resid   60 and name HN   )   2.75  0.95  0.95
assign ( resid   59 and name HB   )   ( resid   60 and name HN   )   3.05  1.26  1.26
assign ( resid   60 and name HN   )   ( resid   61 and name HN   )   2.64  0.84  0.84
assign ( resid   61 and name HN   )   ( resid   62 and name HN   )   2.62  0.82  0.82
assign ( resid   62 and name HA   )   ( resid   63 and name HN   )   2.53  0.73  0.73
assign ( resid   62 and name HB2  )   ( resid   63 and name HN   )   3.30  1.51  1.51
assign ( resid   62 and name HB1  )   ( resid   63 and name HN   )   3.30  1.51  1.51
assign ( resid   63 and name HN   )   ( resid   64 and name HN   )   3.12  1.33  1.33
assign ( resid   63 and name HA2  )   ( resid   64 and name HN   )   2.60  0.81  0.81
assign ( resid   63 and name HA1  )   ( resid   64 and name HN   )   2.60  0.81  0.81
assign ( resid   64 and name HA   )   ( resid   65 and name HN   )   2.35  0.55  0.55
assign ( resid   64 and name HB2  )   ( resid   65 and name HN   )   2.87  1.08  1.08
assign ( resid   65 and name HN   )   ( resid   66 and name HN   )   3.34  1.54  1.54
assign ( resid   65 and name HB2  )   ( resid   66 and name HN   )   3.43  1.63  1.63
assign ( resid   65 and name HB1  )   ( resid   66 and name HN   )   3.43  1.63  1.63
assign ( resid   66 and name HN   )   ( resid   67 and name HN   )   2.60  0.81  0.81
assign ( resid   66 and name HB2  )   ( resid   67 and name HN   )   2.89  1.09  1.09
assign ( resid   66 and name HB1  )   ( resid   67 and name HN   )   3.00  1.20  1.20
assign ( resid   67 and name HN   )   ( resid   68 and name HN   )   3.11  1.31  1.31
assign ( resid   67 and name HA   )   ( resid   68 and name HN   )   2.37  0.57  0.57
assign ( resid   68 and name HN   )   ( resid   69 and name HN   )   2.73  0.93  0.93
assign ( resid   68 and name HA   )   ( resid   69 and name HN   )   2.67  0.88  0.88
assign ( resid   68 and name HB2  )   ( resid   69 and name HN   )   2.66  0.86  0.86
assign ( resid   68 and name HB1  )   ( resid   69 and name HN   )   2.85  1.06  1.06
assign ( resid   70 and name HB2  )   ( resid   71 and name HN   )   2.73  0.93  0.93
assign ( resid   71 and name HN   )   ( resid   72 and name HN   )   2.67  0.88  0.88
assign ( resid   72 and name HN   )   ( resid   73 and name HN   )   2.53  0.73  0.73
assign ( resid   74 and name HN   )   ( resid   75 and name HN   )   2.67  0.88  0.88
assign ( resid   74 and name HB   )   ( resid   75 and name HN   )   2.57  0.77  0.77
assign ( resid   75 and name HB2  )   ( resid   76 and name HN   )   2.85  1.06  1.06
assign ( resid   75 and name HB1  )   ( resid   76 and name HN   )   2.85  1.06  1.06
assign ( resid   76 and name HN   )   ( resid   77 and name HN   )   2.66  0.86  0.86
assign ( resid   76 and name HB1  )   ( resid   77 and name HN   )   2.98  1.18  1.18
assign ( resid   76 and name HB2  )   ( resid   77 and name HN   )   2.80  1.00  1.00
assign ( resid   77 and name HN   )   ( resid   78 and name HN   )   2.71  0.91  0.91
assign ( resid   77 and name HB   )   ( resid   78 and name HN   )   2.67  0.88  0.88
assign ( resid   78 and name HB   )   ( resid   79 and name HN   )   2.60  0.81  0.81
assign ( resid   82 and name HN   )   ( resid   83 and name HN   )   2.60  0.81  0.81
assign ( resid   82 and name HB2  )   ( resid   83 and name HN   )   2.75  0.95  0.95
assign ( resid   82 and name HB1  )   ( resid   83 and name HN   )   2.75  0.95  0.95
assign ( resid   85 and name HN   )   ( resid   86 and name HN   )   2.64  0.84  0.84
assign ( resid   86 and name HN   )   ( resid   87 and name HN   )   2.96  1.17  1.17
assign ( resid   86 and name HB1  )   ( resid   87 and name HN   )   2.85  1.06  1.06
assign ( resid   87 and name HB2  )   ( resid   88 and name HN   )   2.91  1.11  1.11
assign ( resid   87 and name HB1  )   ( resid   88 and name HN   )   2.91  1.11  1.11
assign ( resid    5 and name HN   )   ( resid    5 and name HB2  )   2.66  0.86  0.86
assign ( resid    6 and name HN   )   ( resid    6 and name HB2  )   2.73  0.93  0.93
assign ( resid    6 and name HN   )   ( resid    6 and name HB1  )   2.93  1.13  1.13
assign ( resid   12 and name HN   )   ( resid   12 and name HB2  )   2.75  0.95  0.95
assign ( resid   12 and name HN   )   ( resid   12 and name HB1  )   2.75  0.95  0.95
assign ( resid   21 and name HN   )   ( resid   21 and name HB2  )   2.84  1.04  1.04
assign ( resid   21 and name HN   )   ( resid   21 and name HB1  )   2.84  1.04  1.04
assign ( resid   22 and name HN   )   ( resid   22 and name HB2  )   2.82  1.02  1.02
assign ( resid   22 and name HN   )   ( resid   22 and name HB1  )   2.82  1.02  1.02
assign ( resid   23 and name HN   )   ( resid   23 and name HB   )   2.73  0.93  0.93
assign ( resid   24 and name HN   )   ( resid   24 and name HB   )   2.82  1.02  1.02
assign ( resid   26 and name HN   )   ( resid   26 and name HB1  )   2.76  0.97  0.97
assign ( resid   30 and name HN   )   ( resid   30 and name HB1  )   2.76  0.97  0.97
assign ( resid   30 and name HN   )   ( resid   30 and name HB2  )   2.67  0.88  0.88
assign ( resid   32 and name HN   )   ( resid   32 and name HB2  )   2.82  1.02  1.02
assign ( resid   32 and name HN   )   ( resid   32 and name HB1  )   2.82  1.02  1.02
assign ( resid   33 and name HN   )   ( resid   33 and name HB2  )   2.62  0.82  0.82
assign ( resid   33 and name HN   )   ( resid   33 and name HB1  )   2.62  0.82  0.82
assign ( resid   34 and name HN   )   ( resid   34 and name HB2  )   2.60  0.81  0.81
assign ( resid   34 and name HN   )   ( resid   34 and name HB1  )   2.60  0.81  0.81
assign ( resid   38 and name HN   )   ( resid   38 and name HB2  )   2.49  0.70  0.70
assign ( resid   38 and name HN   )   ( resid   38 and name HB1  )   2.75  0.95  0.95
assign ( resid   39 and name HN   )   ( resid   39 and name HB1  )   2.62  0.82  0.82
assign ( resid   40 and name HN   )   ( resid   40 and name HB1  )   2.80  1.00  1.00
assign ( resid   40 and name HN   )   ( resid   40 and name HB2  )   2.67  0.88  0.88
assign ( resid   42 and name HN   )   ( resid   42 and name HB2  )   2.67  0.88  0.88
assign ( resid   42 and name HN   )   ( resid   42 and name HB1  )   2.67  0.88  0.88
assign ( resid   43 and name HN   )   ( resid   43 and name HB2  )   2.66  0.86  0.86
assign ( resid   43 and name HN   )   ( resid   43 and name HB1  )   2.66  0.86  0.86
assign ( resid   44 and name HN   )   ( resid   44 and name HB2  )   2.62  0.82  0.82
assign ( resid   44 and name HN   )   ( resid   44 and name HB1  )   2.66  0.86  0.86
assign ( resid   45 and name HN   )   ( resid   45 and name HB   )   2.48  0.68  0.68
assign ( resid   47 and name HN   )   ( resid   47 and name HB1  )   2.75  0.95  0.95
assign ( resid   47 and name HN   )   ( resid   47 and name HB2  )   2.58  0.79  0.79
assign ( resid   48 and name HN   )   ( resid   48 and name HB2  )   2.67  0.88  0.88
assign ( resid   48 and name HN   )   ( resid   48 and name HB1  )   2.76  0.97  0.97
assign ( resid   49 and name HN   )   ( resid   49 and name HB1  )   2.75  0.95  0.95
assign ( resid   49 and name HN   )   ( resid   49 and name HB2  )   2.53  0.73  0.73
assign ( resid   50 and name HN   )   ( resid   50 and name HB1  )   2.78  0.99  0.99
assign ( resid   50 and name HN   )   ( resid   50 and name HB2  )   2.58  0.79  0.79
assign ( resid   52 and name HN   )   ( resid   52 and name HB2  )   2.80  1.00  1.00
assign ( resid   52 and name HN   )   ( resid   52 and name HB1  )   2.80  1.00  1.00
assign ( resid   54 and name HN   )   ( resid   54 and name HB2  )   2.71  0.91  0.91
assign ( resid   54 and name HN   )   ( resid   54 and name HB1  )   2.71  0.91  0.91
assign ( resid   55 and name HN   )   ( resid   55 and name HB2  )   2.66  0.86  0.86
assign ( resid   55 and name HN   )   ( resid   55 and name HB1  )   2.66  0.86  0.86
assign ( resid   56 and name HN   )   ( resid   56 and name HB1  )   2.58  0.79  0.79
assign ( resid   56 and name HN   )   ( resid   56 and name HB2  )   2.62  0.82  0.82
assign ( resid   58 and name HN   )   ( resid   58 and name HB1  )   2.78  0.99  0.99
assign ( resid   58 and name HN   )   ( resid   58 and name HB2  )   2.75  0.95  0.95
assign ( resid   59 and name HN   )   ( resid   59 and name HB   )   2.76  0.97  0.97
assign ( resid   60 and name HN   )   ( resid   60 and name HB1  )   2.82  1.02  1.02
assign ( resid   60 and name HN   )   ( resid   60 and name HB2  )   2.75  0.95  0.95
assign ( resid   62 and name HN   )   ( resid   62 and name HB2  )   2.85  1.06  1.06
assign ( resid   62 and name HN   )   ( resid   62 and name HB1  )   2.85  1.06  1.06
assign ( resid   64 and name HN   )   ( resid   64 and name HB1  )   2.94  1.15  1.15
assign ( resid   65 and name HN   )   ( resid   65 and name HB1  )   2.78  0.99  0.99
assign ( resid   66 and name HN   )   ( resid   66 and name HB1  )   2.69  0.90  0.90
assign ( resid   68 and name HN   )   ( resid   68 and name HB2  )   2.48  0.68  0.68
assign ( resid   70 and name HN   )   ( resid   70 and name HB2  )   2.42  0.63  0.63
assign ( resid   70 and name HN   )   ( resid   70 and name HB1  )   2.67  0.88  0.88
assign ( resid   74 and name HN   )   ( resid   74 and name HB   )   2.53  0.73  0.73
assign ( resid   75 and name HN   )   ( resid   75 and name HB2  )   2.66  0.86  0.86
assign ( resid   75 and name HN   )   ( resid   75 and name HB1  )   2.66  0.86  0.86
assign ( resid   76 and name HN   )   ( resid   76 and name HB2  )   2.53  0.73  0.73
assign ( resid   77 and name HN   )   ( resid   77 and name HB   )   2.55  0.75  0.75
assign ( resid   78 and name HN   )   ( resid   78 and name HB   )   2.48  0.68  0.68
assign ( resid   80 and name HN   )   ( resid   80 and name HB1  )   2.60  0.81  0.81
assign ( resid   80 and name HN   )   ( resid   80 and name HB2  )   2.58  0.79  0.79
assign ( resid   86 and name HN   )   ( resid   86 and name HB1  )   2.73  0.93  0.93
assign ( resid    5 and name HN   )   ( resid    6 and name HN   )   2.69  0.90  0.90
assign ( resid    6 and name HN   )   ( resid    7 and name HN   )   2.55  0.75  0.75
assign ( resid    8 and name HN   )   ( resid    9 and name HN   )   2.58  0.79  0.79
assign ( resid   11 and name HN   )   ( resid   12 and name HN   )   2.82  1.02  1.02
assign ( resid   12 and name HN   )   ( resid   13 and name HN   )   2.78  0.99  0.99
assign ( resid   13 and name HN   )   ( resid   14 and name HN   )   2.66  0.86  0.86
assign ( resid   14 and name HN   )   ( resid   15 and name HN   )   2.67  0.88  0.88
assign ( resid   17 and name HN   )   ( resid   18 and name HN   )   2.66  0.86  0.86
assign ( resid   21 and name HN   )   ( resid   22 and name HN   )   2.58  0.79  0.79
assign ( resid   23 and name HN   )   ( resid   24 and name HN   )   2.76  0.97  0.97
assign ( resid   28 and name HN   )   ( resid   29 and name HN   )   2.58  0.79  0.79
assign ( resid   31 and name HN   )   ( resid   32 and name HN   )   2.58  0.79  0.79
assign ( resid   32 and name HN   )   ( resid   33 and name HN   )   2.51  0.72  0.72
assign ( resid   34 and name HN   )   ( resid   35 and name HN   )   2.60  0.81  0.81
assign ( resid   35 and name HN   )   ( resid   36 and name HN   )   2.44  0.64  0.64
assign ( resid   39 and name HN   )   ( resid   40 and name HN   )   2.62  0.82  0.82
assign ( resid   40 and name HN   )   ( resid   41 and name HN   )   2.71  0.91  0.91
assign ( resid   42 and name HN   )   ( resid   43 and name HN   )   2.64  0.84  0.84
assign ( resid   43 and name HN   )   ( resid   44 and name HN   )   2.67  0.88  0.88
assign ( resid   44 and name HN   )   ( resid   45 and name HN   )   2.73  0.93  0.93
assign ( resid   45 and name HN   )   ( resid   46 and name HN   )   2.57  0.77  0.77
assign ( resid   46 and name HN   )   ( resid   47 and name HN   )   2.69  0.90  0.90
assign ( resid   47 and name HN   )   ( resid   48 and name HN   )   2.87  1.08  1.08
assign ( resid   48 and name HN   )   ( resid   49 and name HN   )   2.82  1.02  1.02
assign ( resid   54 and name HN   )   ( resid   55 and name HN   )   2.60  0.81  0.81
assign ( resid   56 and name HN   )   ( resid   57 and name HN   )   2.76  0.97  0.97
assign ( resid   58 and name HN   )   ( resid   59 and name HN   )   2.76  0.97  0.97
assign ( resid   62 and name HN   )   ( resid   63 and name HN   )   2.62  0.82  0.82
assign ( resid   64 and name HN   )   ( resid   65 and name HN   )   3.38  1.58  1.58
assign ( resid   69 and name HN   )   ( resid   70 and name HN   )   2.51  0.72  0.72
assign ( resid   70 and name HN   )   ( resid   71 and name HN   )   2.57  0.77  0.77
assign ( resid   73 and name HN   )   ( resid   74 and name HN   )   2.58  0.79  0.79
assign ( resid   75 and name HN   )   ( resid   76 and name HN   )   2.69  0.90  0.90
assign ( resid   78 and name HN   )   ( resid   79 and name HN   )   2.62  0.82  0.82
assign ( resid   83 and name HN   )   ( resid   84 and name HN   )   2.55  0.75  0.75
assign ( resid   84 and name HN   )   ( resid   85 and name HN   )   2.62  0.82  0.82
assign ( resid   87 and name HN   )   ( resid   88 and name HN   )   2.82  1.02  1.02
assign ( resid    7 and name HN   )   ( resid    9 and name HN   )   3.32  1.53  1.53
assign ( resid    6 and name HA   )   ( resid    8 and name HN   )   2.96  1.17  1.17
assign ( resid    7 and name HA   )   ( resid   10 and name HN   )   3.00  1.20  1.20
assign ( resid    9 and name HN   )   ( resid   11 and name HN   )   3.36  1.56  1.56
assign ( resid    8 and name HA   )   ( resid   11 and name HN   )   2.91  1.11  1.11
assign ( resid    9 and name HA   )   ( resid   12 and name HN   )   3.20  1.40  1.40
assign ( resid    9 and name HA   )   ( resid   13 and name HN   )   3.70  1.90  1.90
assign ( resid   11 and name HA   )   ( resid   14 and name HN   )   3.21  1.42  1.42
assign ( resid   27 and name HA   )   ( resid   30 and name HN   )   3.03  1.24  1.24
assign ( resid   31 and name HN   )   ( resid   33 and name HN   )   3.32  1.53  1.53
assign ( resid   30 and name HN   )   ( resid   32 and name HN   )   3.54  1.74  1.74
assign ( resid   29 and name HA   )   ( resid   33 and name HN   )   2.85  1.06  1.06
assign ( resid   32 and name HN   )   ( resid   34 and name HN   )   3.34  1.54  1.54
assign ( resid   38 and name HN   )   ( resid   40 and name HN   )   3.72  1.92  1.92
assign ( resid   39 and name HA   )   ( resid   41 and name HN   )   3.30  1.51  1.51
assign ( resid   39 and name HN   )   ( resid   41 and name HN   )   3.21  1.42  1.42
assign ( resid   38 and name HA   )   ( resid   41 and name HN   )   2.93  1.13  1.13
assign ( resid   41 and name HN   )   ( resid   43 and name HN   )   3.61  1.81  1.81
assign ( resid   40 and name HN   )   ( resid   42 and name HN   )   3.30  1.51  1.51
assign ( resid   39 and name HA   )   ( resid   42 and name HN   )   2.87  1.08  1.08
assign ( resid   38 and name HA   )   ( resid   42 and name HN   )   3.16  1.36  1.36
assign ( resid   42 and name HN   )   ( resid   44 and name HN   )   3.90  2.10  2.10
assign ( resid   40 and name HA   )   ( resid   43 and name HN   )   2.82  1.02  1.02
assign ( resid   41 and name HA   )   ( resid   44 and name HN   )   2.94  1.15  1.15
assign ( resid   42 and name HA   )   ( resid   45 and name HN   )   3.14  1.35  1.35
assign ( resid   41 and name HA   )   ( resid   45 and name HN   )   3.14  1.35  1.35
assign ( resid   46 and name HN   )   ( resid   48 and name HN   )   3.23  1.44  1.44
assign ( resid   45 and name HN   )   ( resid   47 and name HN   )   3.00  1.20  1.20
assign ( resid   44 and name HA   )   ( resid   47 and name HN   )   3.02  1.22  1.22
assign ( resid   54 and name HN   )   ( resid   56 and name HN   )   3.11  1.31  1.31
assign ( resid   53 and name HA   )   ( resid   56 and name HN   )   3.18  1.38  1.38
assign ( resid   56 and name HN   )   ( resid   58 and name HN   )   3.52  1.72  1.72
assign ( resid   53 and name HA   )   ( resid   57 and name HN   )   3.61  1.81  1.81
assign ( resid   55 and name HA   )   ( resid   58 and name HN   )   2.78  0.99  0.99
assign ( resid   58 and name HN   )   ( resid   60 and name HN   )   3.43  1.63  1.63
assign ( resid   56 and name HA   )   ( resid   59 and name HN   )   3.66  1.87  1.87
assign ( resid   56 and name HA   )   ( resid   60 and name HN   )   3.43  1.63  1.63
assign ( resid   70 and name HN   )   ( resid   72 and name HN   )   3.27  1.47  1.47
assign ( resid   68 and name HA   )   ( resid   71 and name HN   )   2.71  0.91  0.91
assign ( resid   68 and name HA   )   ( resid   72 and name HN   )   3.05  1.26  1.26
assign ( resid   70 and name HA   )   ( resid   73 and name HN   )   2.89  1.09  1.09
assign ( resid   71 and name HA   )   ( resid   74 and name HN   )   3.12  1.33  1.33
assign ( resid   74 and name HN   )   ( resid   76 and name HN   )   3.63  1.83  1.83
assign ( resid   73 and name HA   )   ( resid   75 and name HN   )   3.54  1.74  1.74
assign ( resid   73 and name HN   )   ( resid   75 and name HN   )   3.14  1.35  1.35
assign ( resid   72 and name HA   )   ( resid   75 and name HN   )   2.93  1.13  1.13
assign ( resid   73 and name HA   )   ( resid   76 and name HN   )   2.80  1.00  1.00
assign ( resid   74 and name HA   )   ( resid   77 and name HN   )   3.02  1.22  1.22
assign ( resid   75 and name HA   )   ( resid   78 and name HN   )   3.05  1.26  1.26
assign ( resid   77 and name HN   )   ( resid   79 and name HN   )   3.29  1.49  1.49
assign ( resid   76 and name HA   )   ( resid   79 and name HN   )   2.87  1.08  1.08
assign ( resid   75 and name HA   )   ( resid   79 and name HN   )   2.98  1.18  1.18
assign ( resid   78 and name HA   )   ( resid   81 and name HN   )   2.73  0.93  0.93
assign ( resid   79 and name HA   )   ( resid   82 and name HN   )   3.18  1.38  1.38
assign ( resid   82 and name HN   )   ( resid   84 and name HN   )   3.38  1.58  1.58
assign ( resid   83 and name HA   )   ( resid   85 and name HN   )   2.94  1.15  1.15
assign ( resid   82 and name HA   )   ( resid   85 and name HN   )   2.94  1.15  1.15
assign ( resid    3 and name HN   )   ( resid    6 and name HN   )   3.23  1.44  1.44
assign ( resid    3 and name HN   )   ( resid    6 and name HB2  )   2.71  0.91  0.91
assign ( resid    3 and name HN   )   ( resid    6 and name HB1  )   2.96  1.17  1.17
assign ( resid    4 and name HN   )   ( resid    7 and name HB*  )   4.34  2.54  2.54
assign ( resid    3 and name HB   )   ( resid    5 and name HN   )   2.84  1.04  1.04
assign ( resid   18 and name HA   )   ( resid   20 and name HN   )   3.39  1.60  1.60
assign ( resid   20 and name HN   )   ( resid   22 and name HN   )   3.56  1.76  1.76
assign ( resid   22 and name HA   )   ( resid   26 and name HN   )   3.52  1.72  1.72
assign ( resid   28 and name HA   )   ( resid   32 and name HN   )   2.91  1.11  1.11
assign ( resid   35 and name HN   )   ( resid   36 and name HB*  )   4.00  2.20  2.20
assign ( resid   34 and name HN   )   ( resid   36 and name HN   )   3.23  1.44  1.44
assign ( resid   37 and name HN   )   ( resid   40 and name HB2  )   2.89  1.09  1.09
assign ( resid   37 and name HB   )   ( resid   39 and name HN   )   2.85  1.06  1.06
assign ( resid   36 and name HB*  )   ( resid   40 and name HN   )   3.78  1.99  1.99
assign ( resid   37 and name HN   )   ( resid   40 and name HN   )   3.16  1.36  1.36
assign ( resid   44 and name HA   )   ( resid   48 and name HN   )   3.47  1.67  1.67
assign ( resid   46 and name HA   )   ( resid   49 and name HN   )   3.09  1.29  1.29
assign ( resid   52 and name HA   )   ( resid   54 and name HN   )   3.48  1.69  1.69
assign ( resid   52 and name HA   )   ( resid   55 and name HN   )   3.18  1.38  1.38
assign ( resid   52 and name HA   )   ( resid   56 and name HN   )   3.38  1.58  1.58
assign ( resid   58 and name HN   )   ( resid   61 and name HN   )   3.57  1.78  1.78
assign ( resid   60 and name HN   )   ( resid   62 and name HN   )   3.43  1.63  1.63
assign ( resid   59 and name HA   )   ( resid   61 and name HN   )   3.43  1.63  1.63
assign ( resid   57 and name HA   )   ( resid   61 and name HN   )   3.02  1.22  1.22
assign ( resid   57 and name HA   )   ( resid   62 and name HN   )   3.03  1.24  1.24
assign ( resid   67 and name HN   )   ( resid   70 and name HB2  )   3.11  1.31  1.31
assign ( resid   65 and name HA   )   ( resid   67 and name HN   )   3.16  1.36  1.36
assign ( resid   67 and name HA   )   ( resid   69 and name HN   )   3.14  1.35  1.35
assign ( resid   67 and name HB*  )   ( resid   70 and name HN   )   3.67  1.88  1.88
assign ( resid   80 and name HA   )   ( resid   83 and name HN   )   2.96  1.17  1.17
assign ( resid   81 and name HA   )   ( resid   84 and name HN   )   3.03  1.24  1.24
assign ( resid   84 and name HA   )   ( resid   87 and name HN   )   3.02  1.22  1.22
assign ( resid   83 and name HA   )   ( resid   86 and name HN   )   3.23  1.44  1.44
assign ( resid   54 and name HA   )   ( resid   57 and name HN   )   3.07  1.27  1.27
assign ( resid    3 and name HB   )   ( resid    6 and name HN   )   3.39  1.60  1.60
assign ( resid    1 and name HG*  )   ( resid    2 and name HN   )   4.34  2.54  2.54
assign ( resid    6 and name HG*  )   ( resid    7 and name HN   )   4.25  2.45  2.45
assign ( resid    7 and name HG2  )   ( resid    8 and name HN   )   3.90  2.10  2.10
assign ( resid    7 and name HG1  )   ( resid    8 and name HN   )   3.90  2.10  2.10
assign ( resid    7 and name HD*  )   ( resid    8 and name HN   )   4.27  2.47  2.47
assign ( resid    9 and name HG2  )   ( resid   10 and name HN   )   3.41  1.62  1.62
assign ( resid    9 and name HG1  )   ( resid   10 and name HN   )   3.41  1.62  1.62
assign ( resid   11 and name HG*  )   ( resid   12 and name HN   )   4.34  2.54  2.54
assign ( resid   27 and name HG2  )   ( resid   28 and name HN   )   3.65  1.85  1.85
assign ( resid   27 and name HG1  )   ( resid   28 and name HN   )   3.65  1.85  1.85
assign ( resid   27 and name HD2  )   ( resid   28 and name HN   )   3.61  1.81  1.81
assign ( resid   27 and name HD1  )   ( resid   28 and name HN   )   3.61  1.81  1.81
assign ( resid   29 and name HD*  )   ( resid   30 and name HN   )   4.48  2.68  2.68
assign ( resid   31 and name HG2  )   ( resid   32 and name HN   )   3.39  1.60  1.60
assign ( resid   31 and name HG1  )   ( resid   32 and name HN   )   3.39  1.60  1.60
assign ( resid   33 and name HD*  )   ( resid   34 and name HN   )   4.30  2.50  2.50
assign ( resid   33 and name HE*  )   ( resid   34 and name HN   )   4.96  3.17  3.17
assign ( resid   38 and name HG2  )   ( resid   39 and name HN   )   3.36  1.56  1.56
assign ( resid   38 and name HG1  )   ( resid   39 and name HN   )   3.36  1.56  1.56
assign ( resid   44 and name HD*  )   ( resid   45 and name HN   )   4.96  3.17  3.17
assign ( resid   44 and name HE*  )   ( resid   45 and name HN   )   4.96  3.17  3.17
assign ( resid   48 and name HG   )   ( resid   49 and name HN   )   3.90  2.10  2.10
assign ( resid   53 and name HG2  )   ( resid   54 and name HN   )   3.74  1.94  1.94
assign ( resid   53 and name HG1  )   ( resid   54 and name HN   )   3.74  1.94  1.94
assign ( resid   66 and name HG2  )   ( resid   67 and name HN   )   3.90  2.10  2.10
assign ( resid   66 and name HG1  )   ( resid   67 and name HN   )   3.90  2.10  2.10
assign ( resid   87 and name HG   )   ( resid   88 and name HN   )   3.32  1.53  1.53
assign ( resid    5 and name HN   )   ( resid    5 and name HG1  )   3.09  1.29  1.29
assign ( resid    6 and name HN   )   ( resid    6 and name HG*  )   3.26  1.46  1.46
assign ( resid    7 and name HN   )   ( resid    7 and name HG2  )   3.09  1.29  1.29
assign ( resid    7 and name HN   )   ( resid    7 and name HG1  )   3.09  1.29  1.29
assign ( resid    7 and name HN   )   ( resid    7 and name HD*  )   3.94  2.15  2.15
assign ( resid    9 and name HN   )   ( resid    9 and name HG2  )   3.18  1.38  1.38
assign ( resid    9 and name HN   )   ( resid    9 and name HG1  )   3.18  1.38  1.38
assign ( resid   10 and name HN   )   ( resid   10 and name HG12 )   2.93  1.13  1.13
assign ( resid   10 and name HN   )   ( resid   10 and name HG11 )   2.93  1.13  1.13
assign ( resid   11 and name HN   )   ( resid   11 and name HG*  )   4.34  2.54  2.54
assign ( resid   18 and name HN   )   ( resid   18 and name HG2  )   3.45  1.65  1.65
assign ( resid   18 and name HN   )   ( resid   18 and name HG1  )   3.45  1.65  1.65
assign ( resid   31 and name HN   )   ( resid   31 and name HG2  )   2.94  1.15  1.15
assign ( resid   31 and name HN   )   ( resid   31 and name HG1  )   2.94  1.15  1.15
assign ( resid   36 and name HN   )   ( resid   36 and name HG   )   2.48  0.68  0.68
assign ( resid   38 and name HN   )   ( resid   38 and name HG1  )   2.94  1.15  1.15
assign ( resid   40 and name HN   )   ( resid   40 and name HG2  )   2.91  1.11  1.11
assign ( resid   40 and name HN   )   ( resid   40 and name HG1  )   2.91  1.11  1.11
assign ( resid   41 and name HN   )   ( resid   41 and name HG2  )   2.94  1.15  1.15
assign ( resid   41 and name HN   )   ( resid   41 and name HG1  )   2.94  1.15  1.15
assign ( resid   41 and name HN   )   ( resid   41 and name HE2* )   4.33  2.53  2.53
assign ( resid   49 and name HN   )   ( resid   49 and name HG2  )   2.93  1.13  1.13
assign ( resid   60 and name HN   )   ( resid   60 and name HG2  )   3.03  1.24  1.24
assign ( resid   60 and name HN   )   ( resid   60 and name HG1  )   3.03  1.24  1.24
assign ( resid   66 and name HN   )   ( resid   66 and name HG2  )   3.18  1.38  1.38
assign ( resid   66 and name HN   )   ( resid   66 and name HG1  )   3.18  1.38  1.38
assign ( resid   73 and name HN   )   ( resid   73 and name HG2  )   2.91  1.11  1.11
assign ( resid   73 and name HN   )   ( resid   73 and name HG1  )   2.91  1.11  1.11
assign ( resid   76 and name HN   )   ( resid   76 and name HG2  )   2.67  0.88  0.88
assign ( resid   76 and name HN   )   ( resid   76 and name HG1  )   2.67  0.88  0.88
assign ( resid   76 and name HN   )   ( resid   76 and name HD*  )   3.62  1.82  1.82
assign ( resid   77 and name HN   )   ( resid   77 and name HG12 )   2.93  1.13  1.13
assign ( resid   77 and name HN   )   ( resid   77 and name HG11 )   2.93  1.13  1.13
assign ( resid   84 and name HN   )   ( resid   84 and name HG2  )   2.96  1.17  1.17
assign ( resid   84 and name HN   )   ( resid   84 and name HG1  )   2.96  1.17  1.17
assign ( resid   84 and name HN   )   ( resid   84 and name HD*  )   3.87  2.08  2.08
assign ( resid   86 and name HN   )   ( resid   86 and name HG2  )   3.02  1.22  1.22
assign ( resid   88 and name HN   )   ( resid   88 and name HG1  )   2.96  1.17  1.17
assign ( resid   67 and name HA   )   ( resid   67 and name HD21 )   3.61  1.81  1.81
assign ( resid   67 and name HA   )   ( resid   67 and name HD22 )   3.61  1.81  1.81
assign ( resid    6 and name HB2  )   ( resid    6 and name HE21 )   3.77  1.98  1.98
assign ( resid    6 and name HB2  )   ( resid    6 and name HE22 )   3.77  1.98  1.98
assign ( resid   58 and name HE1  )   ( resid   65 and name HN   )   3.79  1.99  1.99
assign ( resid    3 and name HN   )   ( resid    6 and name HG*  )   3.91  2.11  2.11
assign ( resid   11 and name HG*  )   ( resid   14 and name HN   )   4.34  2.54  2.54
assign ( resid   26 and name HN   )   ( resid   27 and name HD1  )   2.96  1.17  1.17
assign ( resid   26 and name HN   )   ( resid   27 and name HD2  )   2.96  1.17  1.17
assign ( resid   29 and name HN   )   ( resid   44 and name HZ   )   3.90  2.10  2.10
assign ( resid   35 and name HN   )   ( resid   36 and name HG   )   3.39  1.60  1.60
assign ( resid   37 and name HN   )   ( resid   40 and name HG2  )   3.90  2.10  2.10
assign ( resid   37 and name HN   )   ( resid   40 and name HG1  )   3.90  2.10  2.10
assign ( resid   36 and name HB*  )   ( resid   41 and name HN   )   3.83  2.04  2.04
assign ( resid   36 and name HB*  )   ( resid   41 and name HE2* )   4.77  2.97  2.97
assign ( resid   52 and name HN   )   ( resid   53 and name HD*  )   3.75  1.95  1.95
assign ( resid   58 and name HE1  )   ( resid   65 and name HA   )   3.11  1.31  1.31
assign ( resid    3 and name HG2* )   ( resid    4 and name HN   )   3.47  1.68  1.68
assign ( resid    4 and name HB*  )   ( resid    5 and name HN   )   3.00  1.21  1.21
assign ( resid   10 and name HG2* )   ( resid   11 and name HN   )   3.83  2.04  2.04
assign ( resid   21 and name HD2* )   ( resid   22 and name HN   )   4.17  2.38  2.38
assign ( resid   21 and name HD1* )   ( resid   22 and name HN   )   4.05  2.25  2.25
assign ( resid   24 and name HG1* )   ( resid   25 and name HN   )   4.41  2.61  2.61
assign ( resid   24 and name HG2* )   ( resid   25 and name HN   )   4.41  2.61  2.61
assign ( resid   25 and name HG2* )   ( resid   26 and name HN   )   4.05  2.25  2.25
assign ( resid   25 and name HD1* )   ( resid   26 and name HN   )   4.41  2.61  2.61
assign ( resid   36 and name HD2* )   ( resid   37 and name HN   )   3.51  1.71  1.71
assign ( resid   37 and name HG2* )   ( resid   38 and name HN   )   3.33  1.53  1.53
assign ( resid   45 and name HG1* )   ( resid   46 and name HN   )   3.38  1.59  1.59
assign ( resid   45 and name HG2* )   ( resid   46 and name HN   )   3.72  1.93  1.93
assign ( resid   55 and name HD2* )   ( resid   56 and name HN   )   3.54  1.75  1.75
assign ( resid   55 and name HD1* )   ( resid   56 and name HN   )   4.08  2.29  2.29
assign ( resid   57 and name HB*  )   ( resid   58 and name HN   )   3.07  1.28  1.28
assign ( resid   59 and name HG1* )   ( resid   60 and name HN   )   4.26  2.47  2.47
assign ( resid   59 and name HG2* )   ( resid   60 and name HN   )   3.54  1.75  1.75
assign ( resid   70 and name HD2* )   ( resid   71 and name HN   )   4.08  2.29  2.29
assign ( resid   71 and name HB*  )   ( resid   72 and name HN   )   2.93  1.14  1.14
assign ( resid   72 and name HB*  )   ( resid   73 and name HN   )   3.02  1.23  1.23
assign ( resid   74 and name HG1* )   ( resid   75 and name HN   )   3.51  1.71  1.71
assign ( resid   74 and name HG2* )   ( resid   75 and name HN   )   3.65  1.86  1.86
assign ( resid   77 and name HG2* )   ( resid   78 and name HN   )   3.83  2.04  2.04
assign ( resid   77 and name HD1* )   ( resid   78 and name HN   )   3.81  2.02  2.02
assign ( resid   78 and name HG1* )   ( resid   79 and name HN   )   3.33  1.53  1.53
assign ( resid   78 and name HG2* )   ( resid   79 and name HN   )   3.56  1.77  1.77
assign ( resid   82 and name HD1* )   ( resid   83 and name HN   )   4.41  2.61  2.61
assign ( resid   82 and name HD2* )   ( resid   83 and name HN   )   4.41  2.61  2.61
assign ( resid   85 and name HG2* )   ( resid   86 and name HN   )   3.74  1.95  1.95
assign ( resid    3 and name HN   )   ( resid    3 and name HG2* )   2.95  1.15  1.15
assign ( resid    8 and name HN   )   ( resid    8 and name HB*  )   2.73  0.94  0.94
assign ( resid   21 and name HN   )   ( resid   21 and name HD2* )   3.89  2.09  2.09
assign ( resid   21 and name HN   )   ( resid   21 and name HD1* )   3.90  2.11  2.11
assign ( resid   25 and name HN   )   ( resid   25 and name HD1* )   3.81  2.02  2.02
assign ( resid   36 and name HN   )   ( resid   36 and name HD2* )   3.33  1.53  1.53
assign ( resid   37 and name HN   )   ( resid   37 and name HG2* )   3.00  1.21  1.21
assign ( resid   45 and name HN   )   ( resid   45 and name HG2* )   2.89  1.10  1.10
assign ( resid   46 and name HN   )   ( resid   46 and name HB*  )   2.73  0.94  0.94
assign ( resid   48 and name HN   )   ( resid   48 and name HD1* )   3.58  1.78  1.78
assign ( resid   48 and name HN   )   ( resid   48 and name HD2* )   3.58  1.78  1.78
assign ( resid   55 and name HN   )   ( resid   55 and name HD1* )   4.33  2.54  2.54
assign ( resid   59 and name HN   )   ( resid   59 and name HG2* )   3.15  1.35  1.35
assign ( resid   68 and name HN   )   ( resid   68 and name HD2* )   3.62  1.82  1.82
assign ( resid   68 and name HN   )   ( resid   68 and name HD1* )   3.72  1.93  1.93
assign ( resid   72 and name HN   )   ( resid   72 and name HB*  )   2.68  0.88  0.88
assign ( resid   74 and name HN   )   ( resid   74 and name HG2* )   3.00  1.21  1.21
assign ( resid   77 and name HN   )   ( resid   77 and name HD1* )   3.38  1.59  1.59
assign ( resid   78 and name HN   )   ( resid   78 and name HG1* )   3.24  1.44  1.44
assign ( resid   78 and name HN   )   ( resid   78 and name HG2* )   3.00  1.21  1.21
assign ( resid   82 and name HN   )   ( resid   82 and name HD1* )   3.85  2.05  2.05
assign ( resid   82 and name HN   )   ( resid   82 and name HD2* )   3.70  1.91  1.91
assign ( resid   87 and name HN   )   ( resid   87 and name HD1* )   4.25  2.45  2.45
assign ( resid   87 and name HN   )   ( resid   87 and name HD2* )   4.25  2.45  2.45
assign ( resid    3 and name HG2* )   ( resid    5 and name HN   )   4.24  2.45  2.45
assign ( resid    4 and name HB*  )   ( resid    6 and name HN   )   4.17  2.38  2.38
assign ( resid    3 and name HG2* )   ( resid    6 and name HN   )   4.41  2.61  2.61
assign ( resid    7 and name HN   )   ( resid    8 and name HB*  )   3.90  2.11  2.11
assign ( resid   13 and name HN   )   ( resid   48 and name HD1* )   4.41  2.61  2.61
assign ( resid   10 and name HG2* )   ( resid   13 and name HN   )   4.41  2.61  2.61
assign ( resid   14 and name HN   )   ( resid   48 and name HD1* )   4.16  2.36  2.36
assign ( resid   14 and name HN   )   ( resid   48 and name HD2* )   4.41  2.61  2.61
assign ( resid   28 and name HN   )   ( resid   77 and name HG2* )   4.23  2.43  2.43
assign ( resid   25 and name HG2* )   ( resid   29 and name HN   )   4.41  2.61  2.61
assign ( resid   35 and name HN   )   ( resid   36 and name HD2* )   4.32  2.52  2.52
assign ( resid   35 and name HN   )   ( resid   36 and name HD1* )   4.41  2.61  2.61
assign ( resid   37 and name HG2* )   ( resid   39 and name HN   )   4.08  2.29  2.29
assign ( resid   37 and name HG2* )   ( resid   40 and name HN   )   4.35  2.56  2.56
assign ( resid   36 and name HD1* )   ( resid   41 and name HN   )   4.06  2.27  2.27
assign ( resid   43 and name HN   )   ( resid   46 and name HB*  )   4.41  2.61  2.61
assign ( resid   43 and name HN   )   ( resid   70 and name HD2* )   4.41  2.61  2.61
assign ( resid   47 and name HN   )   ( resid   55 and name HD1* )   4.41  2.61  2.61
assign ( resid   48 and name HN   )   ( resid   55 and name HD1* )   4.41  2.61  2.61
assign ( resid   21 and name HD1* )   ( resid   56 and name HN   )   3.60  1.80  1.80
assign ( resid   58 and name HN   )   ( resid   59 and name HG2* )   4.24  2.45  2.45
assign ( resid   58 and name HN   )   ( resid   74 and name HG1* )   4.12  2.32  2.32
assign ( resid   57 and name HB*  )   ( resid   58 and name HE1  )   3.87  2.07  2.07
assign ( resid   57 and name HB*  )   ( resid   62 and name HN   )   3.85  2.05  2.05
assign ( resid   57 and name HB*  )   ( resid   63 and name HN   )   3.69  1.89  1.89
assign ( resid   65 and name HN   )   ( resid   71 and name HB*  )   3.92  2.13  2.13
assign ( resid   67 and name HN   )   ( resid   70 and name HD1* )   3.90  2.11  2.11
assign ( resid   67 and name HN   )   ( resid   71 and name HB*  )   4.15  2.36  2.36
assign ( resid   67 and name HD21 )   ( resid   70 and name HD1* )   3.78  1.98  1.98
assign ( resid   67 and name HD22 )   ( resid   70 and name HD1* )   3.78  1.98  1.98
assign ( resid   69 and name HN   )   ( resid   71 and name HB*  )   4.39  2.59  2.59
assign ( resid   73 and name HN   )   ( resid   74 and name HG2* )   4.19  2.40  2.40
assign ( resid   70 and name HD2* )   ( resid   73 and name HN   )   4.08  2.29  2.29
assign ( resid   71 and name HB*  )   ( resid   73 and name HN   )   4.41  2.61  2.61
assign ( resid   59 and name HG2* )   ( resid   74 and name HN   )   4.41  2.61  2.61
assign ( resid   59 and name HG2* )   ( resid   75 and name HN   )   4.41  2.61  2.61
assign ( resid   74 and name HG1* )   ( resid   77 and name HN   )   3.76  1.96  1.96
assign ( resid   74 and name HG1* )   ( resid   78 and name HN   )   3.96  2.16  2.16
assign ( resid   78 and name HN   )   ( resid   79 and name HB*  )   4.32  2.52  2.52
assign ( resid   79 and name HN   )   ( resid   82 and name HD1* )   4.12  2.32  2.32
assign ( resid   77 and name HG2* )   ( resid   79 and name HN   )   4.41  2.61  2.61
assign ( resid   78 and name HG1* )   ( resid   81 and name HD21 )   3.96  2.16  2.16
assign ( resid   81 and name HD21 )   ( resid   85 and name HG2* )   4.98  3.19  3.19
assign ( resid   78 and name HG1* )   ( resid   81 and name HD22 )   3.96  2.16  2.16
assign ( resid    5 and name HN   )   ( resid    5 and name HB1  )   2.66  0.86  0.86
assign ( resid   10 and name HN   )   ( resid   10 and name HB   )   2.53  0.73  0.73
assign ( resid   18 and name HN   )   ( resid   18 and name HB2  )   2.84  1.04  1.04
assign ( resid   18 and name HN   )   ( resid   18 and name HB1  )   2.84  1.04  1.04
assign ( resid   19 and name HN   )   ( resid   19 and name HB2  )   2.64  0.84  0.84
assign ( resid   19 and name HN   )   ( resid   19 and name HB1  )   2.64  0.84  0.84
assign ( resid   23 and name HA   )   ( resid   23 and name HB   )   2.40  0.61  0.61
assign ( resid   25 and name HN   )   ( resid   25 and name HB   )   2.64  0.84  0.84
assign ( resid   26 and name HN   )   ( resid   26 and name HB2  )   2.76  0.97  0.97
assign ( resid   33 and name HA   )   ( resid   36 and name HN   )   3.03  1.24  1.24
assign ( resid   38 and name HA   )   ( resid   38 and name HB1  )   2.35  0.55  0.55
assign ( resid   39 and name HN   )   ( resid   39 and name HB2  )   2.62  0.82  0.82
assign ( resid   51 and name HN   )   ( resid   51 and name HA   )   2.31  0.52  0.52
assign ( resid   64 and name HN   )   ( resid   64 and name HB2  )   2.82  1.02  1.02
assign ( resid   65 and name HN   )   ( resid   65 and name HB2  )   2.78  0.99  0.99
assign ( resid   66 and name HA   )   ( resid   66 and name HB1  )   2.35  0.55  0.55
assign ( resid   66 and name HN   )   ( resid   66 and name HB2  )   2.49  0.70  0.70
assign ( resid   66 and name HA   )   ( resid   66 and name HB2  )   2.40  0.61  0.61
assign ( resid   68 and name HN   )   ( resid   68 and name HB1  )   2.73  0.93  0.93
assign ( resid   70 and name HA   )   ( resid   70 and name HB2  )   2.40  0.61  0.61
assign ( resid   76 and name HN   )   ( resid   76 and name HB1  )   2.73  0.93  0.93
assign ( resid   82 and name HN   )   ( resid   82 and name HB2  )   2.57  0.77  0.77
assign ( resid   82 and name HN   )   ( resid   82 and name HB1  )   2.57  0.77  0.77
assign ( resid   85 and name HN   )   ( resid   85 and name HB   )   2.39  0.59  0.59
assign ( resid   86 and name HN   )   ( resid   86 and name HB2  )   2.76  0.97  0.97
assign ( resid   87 and name HN   )   ( resid   87 and name HB2  )   2.64  0.84  0.84
assign ( resid   87 and name HN   )   ( resid   87 and name HB1  )   2.64  0.84  0.84
assign ( resid    6 and name HB2  )   ( resid    7 and name HN   )   2.91  1.11  1.11
assign ( resid    6 and name HB1  )   ( resid    7 and name HN   )   2.98  1.18  1.18
assign ( resid   12 and name HA   )   ( resid   13 and name HN   )   2.66  0.86  0.86
assign ( resid   12 and name HB2  )   ( resid   13 and name HN   )   2.84  1.04  1.04
assign ( resid   12 and name HB1  )   ( resid   13 and name HN   )   2.82  1.02  1.02
assign ( resid   18 and name HA   )   ( resid   19 and name HN   )   2.51  0.72  0.72
assign ( resid   19 and name HA   )   ( resid   22 and name HN   )   3.03  1.24  1.24
assign ( resid   19 and name HB1  )   ( resid   20 and name HN   )   2.80  1.00  1.00
assign ( resid   21 and name HB1  )   ( resid   22 and name HN   )   3.20  1.40  1.40
assign ( resid   23 and name HB   )   ( resid   24 and name HN   )   2.96  1.17  1.17
assign ( resid   36 and name HA   )   ( resid   37 and name HN   )   2.55  0.75  0.75
assign ( resid   37 and name HA   )   ( resid   38 and name HN   )   2.37  0.57  0.57
assign ( resid   49 and name HB2  )   ( resid   50 and name HN   )   3.05  1.26  1.26
assign ( resid   50 and name HA   )   ( resid   51 and name HN   )   2.39  0.59  0.59
assign ( resid   50 and name HB1  )   ( resid   51 and name HN   )   2.75  0.95  0.95
assign ( resid   54 and name HB2  )   ( resid   55 and name HN   )   3.47  1.67  1.67
assign ( resid   65 and name HA   )   ( resid   66 and name HN   )   2.37  0.57  0.57
assign ( resid   70 and name HB1  )   ( resid   71 and name HN   )   3.66  1.87  1.87
assign ( resid   82 and name HA   )   ( resid   83 and name HN   )   2.67  0.88  0.88
assign ( resid   85 and name HB   )   ( resid   86 and name HN   )   2.57  0.77  0.77
assign ( resid   86 and name HA   )   ( resid   87 and name HN   )   2.66  0.86  0.86
assign ( resid   86 and name HB2  )   ( resid   87 and name HN   )   3.12  1.33  1.33
assign ( resid    4 and name HA   )   ( resid    7 and name HB*  )   3.11  1.32  1.32
assign ( resid    6 and name HA   )   ( resid    9 and name HN   )   2.75  0.95  0.95
assign ( resid    6 and name HA   )   ( resid    9 and name HB*  )   3.29  1.50  1.50
assign ( resid    7 and name HA   )   ( resid   10 and name HB   )   2.64  0.84  0.84
assign ( resid    8 and name HA   )   ( resid   11 and name HB2  )   3.09  1.29  1.29
assign ( resid    8 and name HA   )   ( resid   11 and name HB1  )   3.09  1.29  1.29
assign ( resid    8 and name HA   )   ( resid   12 and name HN   )   3.11  1.31  1.31
assign ( resid   10 and name HA   )   ( resid   13 and name HN   )   3.14  1.35  1.35
assign ( resid   27 and name HA   )   ( resid   30 and name HB1  )   3.18  1.38  1.38
assign ( resid   27 and name HA   )   ( resid   30 and name HB2  )   2.85  1.06  1.06
assign ( resid   28 and name HA   )   ( resid   31 and name HB*  )   3.62  1.82  1.82
assign ( resid   29 and name HA   )   ( resid   33 and name HB2  )   3.43  1.63  1.63
assign ( resid   29 and name HA   )   ( resid   33 and name HB1  )   3.43  1.63  1.63
assign ( resid   30 and name HA   )   ( resid   33 and name HB2  )   3.25  1.45  1.45
assign ( resid   30 and name HA   )   ( resid   33 and name HB1  )   3.25  1.45  1.45
assign ( resid   38 and name HA   )   ( resid   40 and name HN   )   3.41  1.62  1.62
assign ( resid   38 and name HA   )   ( resid   41 and name HB2  )   2.64  0.84  0.84
assign ( resid   39 and name HA   )   ( resid   42 and name HB2  )   3.07  1.27  1.27
assign ( resid   39 and name HA   )   ( resid   42 and name HB1  )   3.07  1.27  1.27
assign ( resid   39 and name HA   )   ( resid   43 and name HN   )   3.25  1.45  1.45
assign ( resid   40 and name HA   )   ( resid   42 and name HN   )   3.07  1.27  1.27
assign ( resid   40 and name HA   )   ( resid   43 and name HB2  )   3.20  1.40  1.40
assign ( resid   40 and name HA   )   ( resid   43 and name HB1  )   3.20  1.40  1.40
assign ( resid   41 and name HA   )   ( resid   44 and name HB1  )   2.98  1.18  1.18
assign ( resid   42 and name HA   )   ( resid   45 and name HB   )   2.85  1.06  1.06
assign ( resid   42 and name HA   )   ( resid   46 and name HN   )   2.89  1.09  1.09
assign ( resid   43 and name HA   )   ( resid   46 and name HN   )   2.84  1.04  1.04
assign ( resid   44 and name HA   )   ( resid   47 and name HB1  )   3.05  1.26  1.26
assign ( resid   44 and name HA   )   ( resid   47 and name HB2  )   2.73  0.93  0.93
assign ( resid   45 and name HA   )   ( resid   48 and name HN   )   3.05  1.26  1.26
assign ( resid   45 and name HA   )   ( resid   48 and name HB2  )   3.38  1.58  1.58
assign ( resid   46 and name HA   )   ( resid   48 and name HN   )   3.20  1.40  1.40
assign ( resid   53 and name HA   )   ( resid   56 and name HB1  )   2.84  1.04  1.04
assign ( resid   53 and name HA   )   ( resid   56 and name HB2  )   2.76  0.97  0.97
assign ( resid   56 and name HA   )   ( resid   59 and name HB   )   3.16  1.36  1.36
assign ( resid   57 and name HA   )   ( resid   60 and name HN   )   2.98  1.18  1.18
assign ( resid   68 and name HA   )   ( resid   70 and name HN   )   3.11  1.31  1.31
assign ( resid   71 and name HA   )   ( resid   73 and name HN   )   3.45  1.65  1.65
assign ( resid   71 and name HA   )   ( resid   74 and name HB   )   2.62  0.82  0.82
assign ( resid   71 and name HA   )   ( resid   75 and name HN   )   3.16  1.36  1.36
assign ( resid   72 and name HA   )   ( resid   75 and name HB2  )   2.82  1.02  1.02
assign ( resid   72 and name HA   )   ( resid   75 and name HB1  )   2.82  1.02  1.02
assign ( resid   73 and name HA   )   ( resid   76 and name HB1  )   3.39  1.60  1.60
assign ( resid   73 and name HA   )   ( resid   76 and name HB2  )   2.87  1.08  1.08
assign ( resid   74 and name HA   )   ( resid   77 and name HB   )   2.84  1.04  1.04
assign ( resid   75 and name HA   )   ( resid   78 and name HB   )   3.05  1.26  1.26
assign ( resid   76 and name HA   )   ( resid   80 and name HN   )   3.36  1.56  1.56
assign ( resid   77 and name HA   )   ( resid   80 and name HB1  )   3.41  1.62  1.62
assign ( resid   77 and name HA   )   ( resid   80 and name HB2  )   3.03  1.24  1.24
assign ( resid   78 and name HA   )   ( resid   81 and name HB*  )   3.58  1.79  1.79
assign ( resid   79 and name HA   )   ( resid   82 and name HB2  )   3.16  1.36  1.36
assign ( resid   79 and name HA   )   ( resid   82 and name HB1  )   3.16  1.36  1.36
assign ( resid   80 and name HA   )   ( resid   83 and name HB*  )   3.37  1.57  1.57
assign ( resid   81 and name HA   )   ( resid   85 and name HN   )   3.07  1.27  1.27
assign ( resid   82 and name HA   )   ( resid   85 and name HB   )   2.58  0.79  0.79
assign ( resid   83 and name HA   )   ( resid   86 and name HB1  )   2.76  0.97  0.97
assign ( resid   83 and name HA   )   ( resid   86 and name HB2  )   3.20  1.40  1.40
assign ( resid   38 and name HA   )   ( resid   41 and name HB1  )   2.64  0.84  0.84
assign ( resid   32 and name HA   )   ( resid   35 and name HB*  )   3.58  1.79  1.79
assign ( resid   49 and name HA   )   ( resid   50 and name HA   )   3.23  1.44  1.44
assign ( resid   52 and name HA   )   ( resid   55 and name HB2  )   3.23  1.44  1.44
assign ( resid   52 and name HA   )   ( resid   55 and name HB1  )   3.23  1.44  1.44
assign ( resid   77 and name HA   )   ( resid   80 and name HN   )   2.94  1.15  1.15
assign ( resid   84 and name HA   )   ( resid   87 and name HB2  )   3.00  1.20  1.20
assign ( resid   84 and name HA   )   ( resid   87 and name HB1  )   3.00  1.20  1.20
assign ( resid   19 and name HA   )   ( resid   22 and name HB2  )   2.78  0.99  0.99
assign ( resid   19 and name HA   )   ( resid   22 and name HB1  )   2.78  0.99  0.99
assign ( resid    5 and name HA   )   ( resid    5 and name HG1  )   2.62  0.82  0.82
assign ( resid    5 and name HB1  )   ( resid    5 and name HG1  )   2.39  0.59  0.59
assign ( resid    5 and name HN   )   ( resid    5 and name HG2  )   3.09  1.29  1.29
assign ( resid    5 and name HA   )   ( resid    5 and name HG2  )   2.62  0.82  0.82
assign ( resid    5 and name HB2  )   ( resid    5 and name HG2  )   2.39  0.59  0.59
assign ( resid    5 and name HB1  )   ( resid    5 and name HG2  )   2.39  0.59  0.59
assign ( resid    5 and name HB2  )   ( resid    5 and name HG1  )   2.39  0.59  0.59
assign ( resid    7 and name HA   )   ( resid    7 and name HG2  )   2.98  1.18  1.18
assign ( resid    7 and name HA   )   ( resid    7 and name HD*  )   4.34  2.54  2.54
assign ( resid    7 and name HA   )   ( resid    7 and name HG1  )   2.98  1.18  1.18
assign ( resid    7 and name HN   )   ( resid    7 and name HE*  )   4.34  2.54  2.54
assign ( resid    7 and name HB*  )   ( resid    7 and name HE*  )   4.47  2.68  2.68
assign ( resid    9 and name HA   )   ( resid    9 and name HG2  )   2.78  0.99  0.99
assign ( resid    9 and name HA   )   ( resid    9 and name HG1  )   2.78  0.99  0.99
assign ( resid    9 and name HA   )   ( resid    9 and name HD*  )   4.19  2.40  2.40
assign ( resid   10 and name HA   )   ( resid   10 and name HG12 )   2.96  1.17  1.17
assign ( resid   10 and name HA   )   ( resid   10 and name HG11 )   2.96  1.17  1.17
assign ( resid   18 and name HA   )   ( resid   18 and name HG2  )   2.85  1.06  1.06
assign ( resid   18 and name HA   )   ( resid   18 and name HG1  )   2.85  1.06  1.06
assign ( resid   19 and name HN   )   ( resid   19 and name HG   )   2.82  1.02  1.02
assign ( resid   19 and name HA   )   ( resid   19 and name HG   )   2.60  0.81  0.81
assign ( resid   20 and name HA   )   ( resid   20 and name HG2  )   2.69  0.90  0.90
assign ( resid   20 and name HN   )   ( resid   20 and name HG2  )   3.16  1.36  1.36
assign ( resid   20 and name HN   )   ( resid   20 and name HG1  )   3.16  1.36  1.36
assign ( resid   20 and name HA   )   ( resid   20 and name HG1  )   2.69  0.90  0.90
assign ( resid   25 and name HN   )   ( resid   25 and name HG12 )   3.00  1.20  1.20
assign ( resid   25 and name HN   )   ( resid   25 and name HG11 )   3.00  1.20  1.20
assign ( resid   26 and name HN   )   ( resid   26 and name HG*  )   3.69  1.90  1.90
assign ( resid   28 and name HD*  )   ( resid   29 and name HA   )   4.96  3.17  3.17
assign ( resid   30 and name HA   )   ( resid   30 and name HG2  )   2.53  0.73  0.73
assign ( resid   30 and name HB2  )   ( resid   30 and name HG1  )   2.30  0.50  0.50
assign ( resid   30 and name HN   )   ( resid   30 and name HG2  )   2.73  0.93  0.93
assign ( resid   30 and name HB1  )   ( resid   30 and name HG2  )   2.22  0.43  0.43
assign ( resid   30 and name HN   )   ( resid   30 and name HG1  )   2.57  0.77  0.77
assign ( resid   30 and name HA   )   ( resid   30 and name HG1  )   2.85  1.06  1.06
assign ( resid   31 and name HA   )   ( resid   31 and name HG1  )   2.80  1.00  1.00
assign ( resid   31 and name HA   )   ( resid   31 and name HG2  )   2.80  1.00  1.00
assign ( resid   36 and name HA   )   ( resid   36 and name HG   )   2.84  1.04  1.04
assign ( resid   38 and name HA   )   ( resid   38 and name HG2  )   2.80  1.00  1.00
assign ( resid   38 and name HA   )   ( resid   38 and name HG1  )   2.80  1.00  1.00
assign ( resid   38 and name HN   )   ( resid   38 and name HG2  )   2.94  1.15  1.15
assign ( resid   38 and name HB2  )   ( resid   38 and name HG2  )   2.35  0.55  0.55
assign ( resid   38 and name HB2  )   ( resid   38 and name HG1  )   2.35  0.55  0.55
assign ( resid   47 and name HA   )   ( resid   47 and name HG   )   2.44  0.64  0.64
assign ( resid   48 and name HA   )   ( resid   48 and name HG   )   2.75  0.95  0.95
assign ( resid   48 and name HN   )   ( resid   48 and name HG   )   2.73  0.93  0.93
assign ( resid   49 and name HA   )   ( resid   49 and name HG2  )   2.78  0.99  0.99
assign ( resid   49 and name HN   )   ( resid   49 and name HG1  )   2.93  1.13  1.13
assign ( resid   49 and name HA   )   ( resid   49 and name HG1  )   2.78  0.99  0.99
assign ( resid   55 and name HN   )   ( resid   55 and name HG   )   3.14  1.35  1.35
assign ( resid   64 and name HN   )   ( resid   64 and name HG*  )   3.62  1.82  1.82
assign ( resid   64 and name HB1  )   ( resid   64 and name HD2  )   2.85  1.06  1.06
assign ( resid   64 and name HB1  )   ( resid   64 and name HD1  )   2.85  1.06  1.06
assign ( resid   66 and name HA   )   ( resid   66 and name HG1  )   2.78  0.99  0.99
assign ( resid   66 and name HA   )   ( resid   66 and name HG2  )   2.78  0.99  0.99
assign ( resid   66 and name HB2  )   ( resid   66 and name HG2  )   2.19  0.39  0.39
assign ( resid   66 and name HB2  )   ( resid   66 and name HG1  )   2.19  0.39  0.39
assign ( resid   68 and name HN   )   ( resid   68 and name HG   )   2.60  0.81  0.81
assign ( resid   68 and name HA   )   ( resid   68 and name HG   )   2.71  0.91  0.91
assign ( resid   70 and name HN   )   ( resid   70 and name HG   )   2.78  0.99  0.99
assign ( resid   70 and name HA   )   ( resid   70 and name HG   )   2.71  0.91  0.91
assign ( resid   70 and name HB2  )   ( resid   70 and name HG   )   2.17  0.37  0.37
assign ( resid   76 and name HA   )   ( resid   76 and name HG2  )   2.85  1.06  1.06
assign ( resid   76 and name HA   )   ( resid   76 and name HG1  )   2.85  1.06  1.06
assign ( resid   76 and name HA   )   ( resid   76 and name HD*  )   3.40  1.61  1.61
assign ( resid   76 and name HB1  )   ( resid   76 and name HE2  )   3.39  1.60  1.60
assign ( resid   76 and name HG2  )   ( resid   76 and name HE2  )   2.76  0.97  0.97
assign ( resid   76 and name HG1  )   ( resid   76 and name HE2  )   2.76  0.97  0.97
assign ( resid   76 and name HB1  )   ( resid   76 and name HE1  )   3.39  1.60  1.60
assign ( resid   76 and name HG2  )   ( resid   76 and name HE1  )   2.76  0.97  0.97
assign ( resid   76 and name HG1  )   ( resid   76 and name HE1  )   2.76  0.97  0.97
assign ( resid   77 and name HA   )   ( resid   77 and name HG12 )   2.98  1.18  1.18
assign ( resid   77 and name HA   )   ( resid   77 and name HG11 )   2.98  1.18  1.18
assign ( resid   84 and name HA   )   ( resid   84 and name HD*  )   3.37  1.57  1.57
assign ( resid   84 and name HA   )   ( resid   84 and name HG2  )   3.00  1.20  1.20
assign ( resid   84 and name HA   )   ( resid   84 and name HG1  )   3.00  1.20  1.20
assign ( resid   84 and name HB*  )   ( resid   84 and name HE2  )   3.74  1.95  1.95
assign ( resid   84 and name HB*  )   ( resid   84 and name HE1  )   3.74  1.95  1.95
assign ( resid   86 and name HA   )   ( resid   86 and name HG2  )   2.96  1.17  1.17
assign ( resid   86 and name HA   )   ( resid   86 and name HG1  )   2.96  1.17  1.17
assign ( resid   86 and name HN   )   ( resid   86 and name HG1  )   3.02  1.22  1.22
assign ( resid   86 and name HN   )   ( resid   86 and name HD*  )   4.09  2.29  2.29
assign ( resid   86 and name HA   )   ( resid   86 and name HD*  )   3.40  1.61  1.61
assign ( resid   86 and name HB1  )   ( resid   86 and name HD*  )   2.81  1.01  1.01
assign ( resid   87 and name HB2  )   ( resid   87 and name HG   )   2.40  0.61  0.61
assign ( resid   87 and name HB1  )   ( resid   87 and name HG   )   2.40  0.61  0.61
assign ( resid   87 and name HN   )   ( resid   87 and name HG   )   3.02  1.22  1.22
assign ( resid   87 and name HA   )   ( resid   87 and name HG   )   2.76  0.97  0.97
assign ( resid   88 and name HA   )   ( resid   88 and name HG2  )   2.53  0.73  0.73
assign ( resid   88 and name HA   )   ( resid   88 and name HG1  )   2.53  0.73  0.73
assign ( resid   88 and name HN   )   ( resid   88 and name HG2  )   2.96  1.17  1.17
assign ( resid   18 and name HG2  )   ( resid   19 and name HN   )   3.90  2.10  2.10
assign ( resid   18 and name HG1  )   ( resid   19 and name HN   )   3.90  2.10  2.10
assign ( resid   19 and name HG   )   ( resid   20 and name HN   )   3.45  1.65  1.65
assign ( resid   30 and name HG2  )   ( resid   31 and name HN   )   3.16  1.36  1.36
assign ( resid   30 and name HG1  )   ( resid   31 and name HN   )   3.20  1.40  1.40
assign ( resid   55 and name HG   )   ( resid   56 and name HN   )   3.90  2.10  2.10
assign ( resid   64 and name HG*  )   ( resid   65 and name HN   )   3.65  1.86  1.86
assign ( resid   68 and name HG   )   ( resid   69 and name HN   )   3.68  1.89  1.89
assign ( resid   76 and name HG2  )   ( resid   77 and name HN   )   3.90  2.10  2.10
assign ( resid   76 and name HG1  )   ( resid   77 and name HN   )   3.90  2.10  2.10
assign ( resid    7 and name HD*  )   ( resid   29 and name HE*  )   5.32  3.52  3.52
assign ( resid    7 and name HD*  )   ( resid   29 and name HD*  )   5.40  3.61  3.61
assign ( resid    7 and name HE*  )   ( resid   29 and name HE*  )   5.40  3.61  3.61
assign ( resid    7 and name HE*  )   ( resid   29 and name HD*  )   5.24  3.45  3.45
assign ( resid    4 and name HA   )   ( resid    7 and name HD*  )   3.37  1.57  1.57
assign ( resid    4 and name HA   )   ( resid    7 and name HE*  )   3.92  2.13  2.13
assign ( resid   18 and name HG2  )   ( resid   21 and name HB1  )   3.64  1.85  1.85
assign ( resid   18 and name HG1  )   ( resid   21 and name HB1  )   3.64  1.85  1.85
assign ( resid   26 and name HG*  )   ( resid   27 and name HD1  )   4.34  2.54  2.54
assign ( resid   26 and name HG*  )   ( resid   27 and name HD2  )   4.34  2.54  2.54
assign ( resid   29 and name HD*  )   ( resid   30 and name HG2  )   4.67  2.88  2.88
assign ( resid   29 and name HD*  )   ( resid   30 and name HG1  )   4.53  2.73  2.73
assign ( resid   29 and name HD*  )   ( resid   30 and name HA   )   4.96  3.17  3.17
assign ( resid   27 and name HA   )   ( resid   30 and name HG2  )   3.56  1.76  1.76
assign ( resid   27 and name HA   )   ( resid   30 and name HG1  )   3.30  1.51  1.51
assign ( resid   33 and name HA   )   ( resid   36 and name HG   )   2.82  1.02  1.02
assign ( resid   33 and name HD*  )   ( resid   34 and name HA   )   4.96  3.17  3.17
assign ( resid   29 and name HE*  )   ( resid   41 and name HA   )   4.60  2.81  2.81
assign ( resid   44 and name HA   )   ( resid   73 and name HG1  )   3.61  1.81  1.81
assign ( resid   45 and name HA   )   ( resid   48 and name HG   )   3.90  2.10  2.10
assign ( resid   51 and name HB*  )   ( resid   53 and name HD*  )   4.49  2.70  2.70
assign ( resid   51 and name HB*  )   ( resid   53 and name HG2  )   4.30  2.51  2.51
assign ( resid   51 and name HB*  )   ( resid   53 and name HG1  )   4.30  2.51  2.51
assign ( resid   52 and name HB2  )   ( resid   53 and name HD*  )   4.05  2.26  2.26
assign ( resid   52 and name HB1  )   ( resid   53 and name HD*  )   4.05  2.26  2.26
assign ( resid   52 and name HA   )   ( resid   55 and name HG   )   3.90  2.10  2.10
assign ( resid   57 and name HA   )   ( resid   62 and name HB2  )   3.59  1.80  1.80
assign ( resid   57 and name HA   )   ( resid   62 and name HB1  )   3.59  1.80  1.80
assign ( resid   63 and name HA2  )   ( resid   64 and name HG*  )   4.34  2.54  2.54
assign ( resid   63 and name HA1  )   ( resid   64 and name HG*  )   4.34  2.54  2.54
assign ( resid   67 and name HA   )   ( resid   68 and name HG   )   3.47  1.67  1.67
assign ( resid   43 and name HA   )   ( resid   70 and name HG   )   3.65  1.85  1.85
assign ( resid   73 and name HA   )   ( resid   76 and name HD*  )   3.44  1.64  1.64
assign ( resid   28 and name HD*  )   ( resid   77 and name HA   )   4.19  2.39  2.39
assign ( resid   83 and name HA   )   ( resid   86 and name HD*  )   4.05  2.26  2.26
assign ( resid   85 and name HB   )   ( resid   86 and name HB1  )   3.11  1.31  1.31
assign ( resid   44 and name HA   )   ( resid   73 and name HG2  )   3.61  1.81  1.81
assign ( resid    7 and name HD*  )   ( resid   33 and name HD*  )   5.26  3.46  3.46
assign ( resid    7 and name HE*  )   ( resid   33 and name HE*  )   5.26  3.47  3.47
assign ( resid   21 and name HA   )   ( resid   21 and name HD2* )   3.18  1.39  1.39
assign ( resid   21 and name HA   )   ( resid   21 and name HD1* )   3.63  1.84  1.84
assign ( resid   23 and name HN   )   ( resid   23 and name HG1* )   3.22  1.42  1.42
assign ( resid   23 and name HN   )   ( resid   23 and name HG2* )   3.09  1.30  1.30
assign ( resid   36 and name HA   )   ( resid   36 and name HD1* )   4.17  2.38  2.38
assign ( resid   36 and name HA   )   ( resid   36 and name HD2* )   3.18  1.39  1.39
assign ( resid   36 and name HN   )   ( resid   36 and name HD1* )   3.34  1.55  1.55
assign ( resid   48 and name HA   )   ( resid   48 and name HD1* )   4.23  2.43  2.43
assign ( resid   48 and name HA   )   ( resid   48 and name HD2* )   3.22  1.42  1.42
assign ( resid   55 and name HN   )   ( resid   55 and name HD2* )   3.94  2.14  2.14
assign ( resid   55 and name HA   )   ( resid   55 and name HD2* )   3.69  1.89  1.89
assign ( resid   55 and name HA   )   ( resid   55 and name HD1* )   3.34  1.55  1.55
assign ( resid   68 and name HA   )   ( resid   68 and name HD1* )   3.74  1.95  1.95
assign ( resid   68 and name HA   )   ( resid   68 and name HD2* )   2.93  1.14  1.14
assign ( resid   70 and name HN   )   ( resid   70 and name HD1* )   3.36  1.57  1.57
assign ( resid   70 and name HA   )   ( resid   70 and name HD1* )   3.20  1.41  1.41
assign ( resid   70 and name HN   )   ( resid   70 and name HD2* )   3.33  1.53  1.53
assign ( resid   70 and name HA   )   ( resid   70 and name HD2* )   2.97  1.17  1.17
assign ( resid   82 and name HA   )   ( resid   82 and name HD1* )   3.17  1.37  1.37
assign ( resid   82 and name HA   )   ( resid   82 and name HD2* )   2.98  1.19  1.19
assign ( resid   87 and name HA   )   ( resid   87 and name HD2* )   4.10  2.31  2.31
assign ( resid   87 and name HA   )   ( resid   87 and name HD1* )   4.10  2.31  2.31
assign ( resid   19 and name HD1* )   ( resid   20 and name HN   )   4.28  2.49  2.49
assign ( resid   19 and name HD2* )   ( resid   20 and name HN   )   4.28  2.49  2.49
assign ( resid   23 and name HG1* )   ( resid   24 and name HN   )   3.65  1.86  1.86
assign ( resid   23 and name HG2* )   ( resid   24 and name HN   )   3.49  1.69  1.69
assign ( resid   36 and name HD1* )   ( resid   37 and name HN   )   4.41  2.61  2.61
assign ( resid   48 and name HD1* )   ( resid   49 and name HN   )   4.01  2.22  2.22
assign ( resid   48 and name HD2* )   ( resid   49 and name HN   )   3.94  2.14  2.14
assign ( resid   68 and name HD2* )   ( resid   69 and name HN   )   4.05  2.25  2.25
assign ( resid   68 and name HD1* )   ( resid   69 and name HN   )   4.37  2.58  2.58
assign ( resid   70 and name HD1* )   ( resid   71 and name HN   )   4.39  2.59  2.59
assign ( resid   85 and name HG1* )   ( resid   86 and name HN   )   3.74  1.95  1.95
assign ( resid    5 and name HA   )   ( resid    8 and name HB*  )   3.49  1.69  1.69
assign ( resid   10 and name HA   )   ( resid   13 and name HB*  )   3.40  1.60  1.60
assign ( resid   43 and name HA   )   ( resid   46 and name HB*  )   3.40  1.60  1.60
assign ( resid   54 and name HA   )   ( resid   57 and name HB*  )   3.27  1.48  1.48
assign ( resid   68 and name HA   )   ( resid   71 and name HB*  )   3.13  1.33  1.33
assign ( resid   69 and name HA2  )   ( resid   72 and name HB*  )   4.33  2.54  2.54
assign ( resid   76 and name HA   )   ( resid   79 and name HB*  )   3.13  1.33  1.33
assign ( resid    3 and name HG2* )   ( resid    6 and name HB2  )   4.41  2.61  2.61
assign ( resid    3 and name HG2* )   ( resid    6 and name HG*  )   4.85  3.05  3.05
assign ( resid    5 and name HG2  )   ( resid    8 and name HB*  )   4.41  2.61  2.61
assign ( resid    7 and name HB*  )   ( resid    8 and name HB*  )   4.85  3.05  3.05
assign ( resid   19 and name HA   )   ( resid   23 and name HG2* )   4.33  2.54  2.54
assign ( resid   10 and name HA   )   ( resid   45 and name HG1* )   4.41  2.61  2.61
assign ( resid   10 and name HG2* )   ( resid   45 and name HG1* )   4.92  3.12  3.12
assign ( resid   10 and name HD1* )   ( resid   45 and name HG1* )   4.92  3.12  3.12
assign ( resid    7 and name HD*  )   ( resid   10 and name HD1* )   4.85  3.05  3.05
assign ( resid   10 and name HD1* )   ( resid   45 and name HB   )   4.41  2.61  2.61
assign ( resid    7 and name HA   )   ( resid   10 and name HG2* )   4.39  2.59  2.59
assign ( resid    7 and name HA   )   ( resid   10 and name HD1* )   3.26  1.46  1.46
assign ( resid   10 and name HG2* )   ( resid   29 and name HD*  )   5.08  3.28  3.28
assign ( resid   10 and name HD1* )   ( resid   29 and name HD*  )   5.04  3.24  3.24
assign ( resid   10 and name HD1* )   ( resid   29 and name HE*  )   5.47  3.68  3.68
assign ( resid   10 and name HN   )   ( resid   10 and name HD1* )   3.62  1.82  1.82
assign ( resid    7 and name HN   )   ( resid   10 and name HD1* )   4.41  2.61  2.61
assign ( resid   10 and name HD1* )   ( resid   45 and name HN   )   4.41  2.61  2.61
assign ( resid   14 and name HA   )   ( resid   25 and name HD1* )   4.14  2.34  2.34
assign ( resid   21 and name HD2* )   ( resid   56 and name HA   )   3.42  1.62  1.62
assign ( resid   21 and name HD1* )   ( resid   56 and name HA   )   4.19  2.40  2.40
assign ( resid   21 and name HD1* )   ( resid   56 and name HB2  )   4.41  2.61  2.61
assign ( resid   20 and name HA   )   ( resid   23 and name HG2* )   3.36  1.57  1.57
assign ( resid   25 and name HG2* )   ( resid   29 and name HB*  )   4.85  3.05  3.05
assign ( resid   14 and name HB*  )   ( resid   25 and name HG2* )   4.70  2.91  2.91
assign ( resid   25 and name HG2* )   ( resid   48 and name HD1* )   4.92  3.12  3.12
assign ( resid   25 and name HG2* )   ( resid   48 and name HD2* )   4.14  2.35  2.35
assign ( resid   25 and name HD1* )   ( resid   77 and name HG2* )   4.77  2.98  2.98
assign ( resid   25 and name HA   )   ( resid   77 and name HG2* )   3.92  2.13  2.13
assign ( resid   25 and name HG11 )   ( resid   77 and name HG2* )   4.41  2.61  2.61
assign ( resid   33 and name HA   )   ( resid   36 and name HD2* )   4.41  2.61  2.61
assign ( resid   35 and name HB*  )   ( resid   36 and name HD2* )   4.85  3.05  3.05
assign ( resid   36 and name HD2* )   ( resid   76 and name HD*  )   4.18  2.39  2.39
assign ( resid   36 and name HD2* )   ( resid   76 and name HB2  )   3.65  1.86  1.86
assign ( resid   36 and name HD2* )   ( resid   40 and name HB2  )   4.41  2.61  2.61
assign ( resid   36 and name HD2* )   ( resid   76 and name HB1  )   4.25  2.45  2.45
assign ( resid   36 and name HD1* )   ( resid   76 and name HB2  )   3.78  1.98  1.98
assign ( resid   36 and name HD1* )   ( resid   40 and name HB2  )   4.12  2.32  2.32
assign ( resid   36 and name HD2* )   ( resid   44 and name HB1  )   4.41  2.61  2.61
assign ( resid   36 and name HD2* )   ( resid   44 and name HB2  )   4.41  2.61  2.61
assign ( resid   36 and name HD2* )   ( resid   73 and name HA   )   4.41  2.61  2.61
assign ( resid   36 and name HD1* )   ( resid   41 and name HA   )   3.88  2.09  2.09
assign ( resid   33 and name HA   )   ( resid   36 and name HD1* )   3.67  1.87  1.87
assign ( resid   29 and name HD*  )   ( resid   36 and name HD1* )   5.20  3.41  3.41
assign ( resid   29 and name HE*  )   ( resid   36 and name HD1* )   5.47  3.68  3.68
assign ( resid   40 and name HA   )   ( resid   70 and name HD2* )   4.41  2.61  2.61
assign ( resid   36 and name HD1* )   ( resid   40 and name HB1  )   4.41  2.61  2.61
assign ( resid   47 and name HD2* )   ( resid   73 and name HG1  )   5.29  3.49  3.49
assign ( resid   43 and name HB2  )   ( resid   70 and name HD2* )   4.41  2.61  2.61
assign ( resid   43 and name HA   )   ( resid   70 and name HD2* )   3.69  1.89  1.89
assign ( resid   44 and name HA   )   ( resid   47 and name HD2* )   4.41  2.61  2.61
assign ( resid   44 and name HN   )   ( resid   45 and name HG2* )   4.41  2.61  2.61
assign ( resid   44 and name HE*  )   ( resid   45 and name HG2* )   5.47  3.68  3.68
assign ( resid   42 and name HA   )   ( resid   45 and name HG2* )   4.26  2.47  2.47
assign ( resid   45 and name HG2* )   ( resid   48 and name HD1* )   4.92  3.12  3.12
assign ( resid   45 and name HG2* )   ( resid   48 and name HD2* )   4.92  3.12  3.12
assign ( resid   10 and name HG2* )   ( resid   45 and name HG2* )   4.59  2.80  2.80
assign ( resid   10 and name HD1* )   ( resid   45 and name HG2* )   4.13  2.33  2.33
assign ( resid   44 and name HA   )   ( resid   47 and name HD1* )   4.41  2.61  2.61
assign ( resid   47 and name HB1  )   ( resid   55 and name HD1* )   4.41  2.61  2.61
assign ( resid   25 and name HD1* )   ( resid   48 and name HA   )   4.41  2.61  2.61
assign ( resid   45 and name HG1* )   ( resid   48 and name HD1* )   4.92  3.12  3.12
assign ( resid   25 and name HD1* )   ( resid   48 and name HD2* )   4.41  2.62  2.62
assign ( resid   45 and name HG1* )   ( resid   48 and name HD2* )   4.92  3.12  3.12
assign ( resid   13 and name HB*  )   ( resid   48 and name HD1* )   4.09  2.29  2.29
assign ( resid   45 and name HA   )   ( resid   48 and name HD1* )   3.74  1.95  1.95
assign ( resid   45 and name HA   )   ( resid   48 and name HD2* )   4.41  2.61  2.61
assign ( resid   10 and name HA   )   ( resid   48 and name HD1* )   4.32  2.52  2.52
assign ( resid   14 and name HA   )   ( resid   48 and name HD1* )   4.23  2.43  2.43
assign ( resid   14 and name HA   )   ( resid   48 and name HD2* )   3.51  1.71  1.71
assign ( resid   44 and name HD*  )   ( resid   48 and name HD2* )   5.47  3.68  3.68
assign ( resid   48 and name HA   )   ( resid   55 and name HD1* )   4.01  2.22  2.22
assign ( resid   52 and name HA   )   ( resid   55 and name HD1* )   4.41  2.61  2.61
assign ( resid   57 and name HB*  )   ( resid   60 and name HN   )   4.12  2.32  2.32
assign ( resid   57 and name HB*  )   ( resid   58 and name HA   )   4.37  2.58  2.58
assign ( resid   57 and name HB*  )   ( resid   62 and name HB2  )   3.85  2.05  2.05
assign ( resid   57 and name HB*  )   ( resid   62 and name HB1  )   3.85  2.05  2.05
assign ( resid   56 and name HA   )   ( resid   59 and name HG2* )   3.81  2.02  2.02
assign ( resid   59 and name HA   )   ( resid   78 and name HG2* )   3.85  2.05  2.05
assign ( resid   59 and name HA   )   ( resid   74 and name HG2* )   4.41  2.61  2.61
assign ( resid   67 and name HB*  )   ( resid   70 and name HD1* )   4.24  2.44  2.44
assign ( resid   43 and name HB1  )   ( resid   70 and name HD2* )   4.41  2.61  2.61
assign ( resid   69 and name HN   )   ( resid   70 and name HD1* )   4.41  2.61  2.61
assign ( resid   47 and name HN   )   ( resid   70 and name HD2* )   3.99  2.20  2.20
assign ( resid   70 and name HN   )   ( resid   71 and name HB*  )   3.96  2.16  2.16
assign ( resid   71 and name HB*  )   ( resid   74 and name HG2* )   4.92  3.12  3.12
assign ( resid   68 and name HD1* )   ( resid   71 and name HB*  )   4.92  3.12  3.12
assign ( resid   55 and name HD2* )   ( resid   71 and name HB*  )   4.83  3.03  3.03
assign ( resid   70 and name HD2* )   ( resid   71 and name HB*  )   4.92  3.12  3.12
assign ( resid   69 and name HA1  )   ( resid   72 and name HB*  )   4.33  2.54  2.54
assign ( resid   71 and name HA   )   ( resid   74 and name HG2* )   3.63  1.84  1.84
assign ( resid   59 and name HA   )   ( resid   74 and name HG1* )   3.49  1.69  1.69
assign ( resid   71 and name HA   )   ( resid   74 and name HG1* )   3.94  2.14  2.14
assign ( resid   74 and name HA   )   ( resid   78 and name HG2* )   4.41  2.61  2.61
assign ( resid   59 and name HG2* )   ( resid   74 and name HA   )   3.97  2.18  2.18
assign ( resid   59 and name HG2* )   ( resid   74 and name HB   )   4.41  2.61  2.61
assign ( resid   21 and name HD2* )   ( resid   56 and name HB1  )   4.41  2.61  2.61
assign ( resid   36 and name HD2* )   ( resid   76 and name HE1  )   4.10  2.31  2.31
assign ( resid   36 and name HD2* )   ( resid   76 and name HE2  )   4.10  2.31  2.31
assign ( resid   77 and name HG2* )   ( resid   81 and name HN   )   4.41  2.61  2.61
assign ( resid   74 and name HN   )   ( resid   77 and name HD1* )   4.41  2.61  2.61
assign ( resid   28 and name HD*  )   ( resid   77 and name HD1* )   5.47  3.68  3.68
assign ( resid   24 and name HA   )   ( resid   77 and name HG2* )   4.41  2.61  2.61
assign ( resid   25 and name HA   )   ( resid   77 and name HD1* )   4.39  2.59  2.59
assign ( resid   28 and name HB*  )   ( resid   77 and name HG2* )   4.76  2.96  2.96
assign ( resid   77 and name HG2* )   ( resid   78 and name HA   )   3.96  2.16  2.16
assign ( resid   24 and name HB   )   ( resid   77 and name HG2* )   4.39  2.59  2.59
assign ( resid   74 and name HA   )   ( resid   77 and name HD1* )   3.27  1.48  1.48
assign ( resid   73 and name HG2  )   ( resid   77 and name HD1* )   4.41  2.61  2.61
assign ( resid   73 and name HG1  )   ( resid   77 and name HD1* )   4.41  2.61  2.61
assign ( resid   76 and name HB2  )   ( resid   77 and name HD1* )   4.41  2.61  2.61
assign ( resid   59 and name HG1* )   ( resid   77 and name HG2* )   4.77  2.98  2.98
assign ( resid   74 and name HG1* )   ( resid   77 and name HD1* )   4.63  2.83  2.83
assign ( resid   59 and name HG2* )   ( resid   77 and name HD1* )   4.68  2.89  2.89
assign ( resid   74 and name HG2* )   ( resid   77 and name HD1* )   4.92  3.12  3.12
assign ( resid   25 and name HG2* )   ( resid   77 and name HD1* )   4.92  3.12  3.12
assign ( resid   59 and name HG1* )   ( resid   78 and name HA   )   4.26  2.47  2.47
assign ( resid   77 and name HB   )   ( resid   78 and name HG2* )   4.21  2.41  2.41
assign ( resid   75 and name HA   )   ( resid   78 and name HG1* )   3.65  1.86  1.86
assign ( resid   78 and name HG1* )   ( resid   79 and name HA   )   4.01  2.22  2.22
assign ( resid   75 and name HA   )   ( resid   78 and name HG2* )   3.63  1.84  1.84
assign ( resid   77 and name HN   )   ( resid   78 and name HG2* )   4.35  2.56  2.56
assign ( resid   79 and name HA   )   ( resid   82 and name HD1* )   4.25  2.45  2.45
assign ( resid   78 and name HG1* )   ( resid   79 and name HB*  )   4.92  3.12  3.12
assign ( resid   79 and name HB*  )   ( resid   82 and name HD1* )   4.86  3.07  3.07
assign ( resid   79 and name HB*  )   ( resid   83 and name HB*  )   4.85  3.05  3.05
assign ( resid   59 and name HG1* )   ( resid   84 and name HD*  )   4.85  3.05  3.05
assign ( resid   81 and name HD22 )   ( resid   85 and name HG1* )   4.98  3.19  3.19
assign ( resid   81 and name HD22 )   ( resid   85 and name HG2* )   4.98  3.19  3.19
assign ( resid   82 and name HA   )   ( resid   85 and name HG1* )   4.41  2.61  2.61
assign ( resid   82 and name HA   )   ( resid   85 and name HG2* )   4.41  2.61  2.61
assign ( resid   12 and name HN   )   ( resid   13 and name HB*  )   4.41  2.61  2.61
assign ( resid    8 and name HB*  )   ( resid   12 and name HE1  )   4.41  2.61  2.61
assign ( resid   47 and name HA   )   ( resid   70 and name HD1* )   3.80  2.00  2.00
assign ( resid    5 and name HG1  )   ( resid    8 and name HB*  )   4.41  2.61  2.61
assign ( resid   13 and name HB*  )   ( resid   45 and name HG1* )   4.36  2.56  2.56
assign ( resid   13 and name HB*  )   ( resid   48 and name HD2* )   4.92  3.12  3.12
assign ( resid   13 and name HB*  )   ( resid   45 and name HG2* )   4.92  3.12  3.12
assign ( resid   14 and name HA   )   ( resid   25 and name HG2* )   3.51  1.71  1.71
assign ( resid   20 and name HA   )   ( resid   23 and name HG1* )   4.41  2.61  2.61
assign ( resid   20 and name HN   )   ( resid   23 and name HG2* )   4.41  2.61  2.61
assign ( resid   21 and name HD1* )   ( resid   56 and name HB1  )   4.41  2.61  2.61
assign ( resid   48 and name HD2* )   ( resid   55 and name HD1* )   4.92  3.12  3.12
assign ( resid   77 and name HG2* )   ( resid   78 and name HG2* )   4.83  3.03  3.03
assign ( resid   25 and name HG12 )   ( resid   77 and name HG2* )   4.41  2.61  2.61
assign ( resid   47 and name HD1* )   ( resid   73 and name HG2  )   5.29  3.49  3.49
assign ( resid   10 and name HG2* )   ( resid   48 and name HD1* )   4.38  2.58  2.58
assign ( resid   10 and name HG2* )   ( resid   48 and name HD2* )   4.09  2.29  2.29
assign ( resid   48 and name HD1* )   ( resid   77 and name HD1* )   4.47  2.67  2.67
assign ( resid   47 and name HB2  )   ( resid   70 and name HD2* )   3.65  1.86  1.86
assign ( resid   47 and name HB2  )   ( resid   70 and name HD1* )   4.12  2.32  2.32
assign ( resid   47 and name HA   )   ( resid   70 and name HD2* )   3.76  1.96  1.96
assign ( resid   74 and name HG1* )   ( resid   78 and name HG2* )   4.18  2.38  2.38
assign ( resid   36 and name HD1* )   ( resid   44 and name HB2  )   3.76  1.96  1.96
assign ( resid   56 and name HA   )   ( resid   74 and name HG1* )   4.12  2.32  2.32
assign ( resid   59 and name HG2* )   ( resid   77 and name HG2* )   4.84  3.05  3.05
assign ( resid   55 and name HD1* )   ( resid   77 and name HD1* )   4.76  2.96  2.96
assign ( resid   58 and name HN   )   ( resid   74 and name HG2* )   4.41  2.61  2.61
assign ( resid   12 and name HA   )   ( resid   12 and name HD1  )   2.98  1.18  1.18
assign ( resid   12 and name HB2  )   ( resid   12 and name HD1  )   2.71  0.91  0.91
assign ( resid   12 and name HB2  )   ( resid   12 and name HE3  )   2.76  0.97  0.97
assign ( resid   12 and name HB1  )   ( resid   12 and name HE3  )   2.67  0.88  0.88
assign ( resid   58 and name HN   )   ( resid   58 and name HD1  )   3.21  1.42  1.42
assign ( resid   58 and name HA   )   ( resid   58 and name HD1  )   2.57  0.77  0.77
assign ( resid    2 and name HD*  )   ( resid    3 and name HN   )   4.67  2.88  2.88
assign ( resid    2 and name HD*  )   ( resid    6 and name HB1  )   3.81  2.01  2.01
assign ( resid    2 and name HD*  )   ( resid    6 and name HB2  )   4.01  2.21  2.21
assign ( resid    2 and name HE*  )   ( resid   41 and name HB2  )   4.10  2.31  2.31
assign ( resid    2 and name HE*  )   ( resid    6 and name HB1  )   4.53  2.74  2.74
assign ( resid    2 and name HE*  )   ( resid   41 and name HB1  )   4.10  2.31  2.31
assign ( resid    9 and name HA   )   ( resid   12 and name HD1  )   3.11  1.31  1.31
assign ( resid   12 and name HN   )   ( resid   12 and name HD1  )   2.48  0.68  0.68
assign ( resid   44 and name HD*  )   ( resid   45 and name HB   )   4.96  3.17  3.17
assign ( resid   29 and name HZ   )   ( resid   44 and name HD*  )   4.28  2.48  2.48
assign ( resid   29 and name HD*  )   ( resid   44 and name HD*  )   5.52  3.73  3.73
assign ( resid   28 and name HD*  )   ( resid   44 and name HE*  )   6.01  4.21  4.21
assign ( resid   29 and name HD*  )   ( resid   44 and name HE*  )   5.45  3.66  3.66
assign ( resid   21 and name HG   )   ( resid   56 and name HD*  )   4.22  2.43  2.43
assign ( resid    2 and name HD*  )   ( resid   10 and name HD1* )   4.18  2.38  2.38
assign ( resid    2 and name HE*  )   ( resid   45 and name HG2* )   4.29  2.49  2.49
assign ( resid    2 and name HE*  )   ( resid   45 and name HG1* )   4.57  2.78  2.78
assign ( resid    2 and name HE*  )   ( resid   10 and name HD1* )   4.29  2.49  2.49
assign ( resid    8 and name HB*  )   ( resid   12 and name HD1  )   3.51  1.71  1.71
assign ( resid   33 and name HD*  )   ( resid   36 and name HD2* )   5.00  3.21  3.21
assign ( resid   33 and name HD*  )   ( resid   36 and name HD1* )   4.48  2.69  2.69
assign ( resid   29 and name HE*  )   ( resid   45 and name HG2* )   4.68  2.89  2.89
assign ( resid   44 and name HD*  )   ( resid   45 and name HG2* )   4.50  2.70  2.70
assign ( resid   44 and name HD*  )   ( resid   77 and name HD1* )   4.05  2.25  2.25
assign ( resid   44 and name HD*  )   ( resid   48 and name HD1* )   4.64  2.85  2.85
assign ( resid   10 and name HG2* )   ( resid   44 and name HD*  )   4.46  2.67  2.67
assign ( resid   25 and name HG2* )   ( resid   44 and name HE*  )   4.47  2.67  2.67
assign ( resid   44 and name HE*  )   ( resid   77 and name HD1* )   4.27  2.47  2.47
assign ( resid   44 and name HE*  )   ( resid   48 and name HD1* )   4.36  2.56  2.56
assign ( resid   44 and name HE*  )   ( resid   48 and name HD2* )   4.74  2.94  2.94
assign ( resid   10 and name HG2* )   ( resid   44 and name HE*  )   4.32  2.53  2.53
assign ( resid   25 and name HG2* )   ( resid   44 and name HZ   )   2.73  0.94  0.94
assign ( resid   44 and name HZ   )   ( resid   48 and name HD1* )   3.40  1.60  1.60
assign ( resid   21 and name HD1* )   ( resid   56 and name HD*  )   4.37  2.58  2.58
assign ( resid   21 and name HD2* )   ( resid   56 and name HD*  )   4.21  2.42  2.42
assign ( resid   57 and name HB*  )   ( resid   58 and name HD1  )   3.24  1.44  1.44
assign ( resid   58 and name HZ3  )   ( resid   68 and name HD1* )   3.65  1.86  1.86
assign ( resid    2 and name HB*  )   ( resid    3 and name HN   )   2.94  1.15  1.15
assign ( resid    2 and name HB*  )   ( resid    7 and name HN   )   4.30  2.51  2.51
assign ( resid    2 and name HE*  )   ( resid   41 and name HB*  )   3.97  2.18  2.18
assign ( resid    3 and name HG2* )   ( resid    5 and name HB*  )   4.85  3.05  3.05
assign ( resid    3 and name HG2* )   ( resid    6 and name HE2* )   4.84  3.04  3.04
assign ( resid    5 and name HN   )   ( resid    5 and name HB*  )   2.57  0.78  0.78
assign ( resid    5 and name HB*  )   ( resid    8 and name HB*  )   4.56  2.76  2.76
assign ( resid    5 and name HG*  )   ( resid    6 and name HN   )   3.83  2.04  2.04
assign ( resid    5 and name HG*  )   ( resid    8 and name HN   )   4.34  2.54  2.54
assign ( resid    5 and name HG*  )   ( resid    8 and name HB*  )   4.30  2.50  2.50
assign ( resid    6 and name HN   )   ( resid    6 and name HE2* )   4.20  2.41  2.41
assign ( resid    7 and name HN   )   ( resid    7 and name HG*  )   2.83  1.04  1.04
assign ( resid    7 and name HA   )   ( resid    7 and name HG*  )   2.82  1.02  1.02
assign ( resid    7 and name HG*  )   ( resid   10 and name HD1* )   4.78  2.98  2.98
assign ( resid    7 and name HG*  )   ( resid   29 and name HE*  )   5.40  3.61  3.61
assign ( resid    8 and name HN   )   ( resid    9 and name HG*  )   4.14  2.34  2.34
assign ( resid    8 and name HA   )   ( resid   11 and name HB*  )   2.98  1.19  1.19
assign ( resid    9 and name HN   )   ( resid    9 and name HG*  )   2.91  1.11  1.11
assign ( resid    9 and name HG*  )   ( resid   10 and name HN   )   3.16  1.36  1.36
assign ( resid   10 and name HN   )   ( resid   10 and name HG1* )   2.81  1.01  1.01
assign ( resid   10 and name HG2* )   ( resid   49 and name HG*  )   4.67  2.87  2.87
assign ( resid   10 and name HG1* )   ( resid   11 and name HN   )   3.22  1.43  1.43
assign ( resid   10 and name HG1* )   ( resid   45 and name HG2* )   4.81  3.02  3.02
assign ( resid   11 and name HN   )   ( resid   11 and name HB*  )   2.78  0.98  0.98
assign ( resid   11 and name HA   )   ( resid   11 and name HD*  )   4.09  2.29  2.29
assign ( resid   11 and name HB*  )   ( resid   11 and name HE*  )   4.45  2.66  2.66
assign ( resid   13 and name HN   )   ( resid   49 and name HG*  )   4.27  2.47  2.47
assign ( resid   16 and name HB*  )   ( resid   17 and name HN   )   2.87  1.08  1.08
assign ( resid   18 and name HN   )   ( resid   18 and name HB*  )   2.73  0.94  0.94
assign ( resid   18 and name HN   )   ( resid   18 and name HG*  )   3.22  1.43  1.43
assign ( resid   18 and name HN   )   ( resid   21 and name HB*  )   3.69  1.89  1.89
assign ( resid   18 and name HA   )   ( resid   18 and name HG*  )   2.77  0.97  0.97
assign ( resid   18 and name HB*  )   ( resid   21 and name HB*  )   3.81  2.01  2.01
assign ( resid   18 and name HG*  )   ( resid   19 and name HN   )   3.71  1.91  1.91
assign ( resid   18 and name HG*  )   ( resid   21 and name HB*  )   3.16  1.37  1.37
assign ( resid   18 and name HG2  )   ( resid   21 and name HB2  )   3.64  1.85  1.85
assign ( resid   18 and name HG1  )   ( resid   21 and name HB2  )   3.64  1.85  1.85
assign ( resid   18 and name HG*  )   ( resid   21 and name HD1* )   4.59  2.80  2.80
assign ( resid   19 and name HA   )   ( resid   22 and name HB*  )   2.68  0.89  0.89
assign ( resid   19 and name HD*  )   ( resid   20 and name HN   )   3.91  2.12  2.12
assign ( resid   20 and name HN   )   ( resid   20 and name HG*  )   3.05  1.26  1.26
assign ( resid   20 and name HA   )   ( resid   20 and name HG*  )   2.56  0.77  0.77
assign ( resid   21 and name HN   )   ( resid   21 and name HB*  )   2.72  0.93  0.93
assign ( resid   21 and name HB*  )   ( resid   22 and name HN   )   3.00  1.20  1.20
assign ( resid   21 and name HB*  )   ( resid   23 and name HN   )   3.60  1.80  1.80
assign ( resid   22 and name HN   )   ( resid   22 and name HB*  )   2.73  0.94  0.94
assign ( resid   23 and name HN   )   ( resid   24 and name HG*  )   5.00  3.21  3.21
assign ( resid   24 and name HG*  )   ( resid   84 and name HD*  )   5.62  3.83  3.83
assign ( resid   25 and name HG1* )   ( resid   26 and name HN   )   4.34  2.54  2.54
assign ( resid   25 and name HG1* )   ( resid   48 and name HD2* )   4.70  2.91  2.91
assign ( resid   25 and name HG1* )   ( resid   77 and name HD1* )   4.85  3.05  3.05
assign ( resid   26 and name HN   )   ( resid   27 and name HD*  )   2.82  1.03  1.03
assign ( resid   26 and name HG*  )   ( resid   27 and name HD*  )   4.10  2.30  2.30
assign ( resid   27 and name HG*  )   ( resid   28 and name HN   )   3.37  1.57  1.57
assign ( resid   27 and name HD*  )   ( resid   28 and name HN   )   3.21  1.42  1.42
assign ( resid   29 and name HA   )   ( resid   33 and name HB*  )   3.20  1.40  1.40
assign ( resid   30 and name HA   )   ( resid   33 and name HB*  )   3.15  1.36  1.36
assign ( resid   31 and name HN   )   ( resid   31 and name HG*  )   2.79  0.99  0.99
assign ( resid   31 and name HA   )   ( resid   31 and name HG*  )   2.68  0.88  0.88
assign ( resid   31 and name HG*  )   ( resid   32 and name HN   )   3.26  1.47  1.47
assign ( resid   32 and name HN   )   ( resid   32 and name HB*  )   2.71  0.92  0.92
assign ( resid   33 and name HB*  )   ( resid   34 and name HN   )   2.75  0.95  0.95
assign ( resid   33 and name HB*  )   ( resid   36 and name HN   )   3.73  1.93  1.93
assign ( resid   34 and name HN   )   ( resid   34 and name HB*  )   2.47  0.68  0.68
assign ( resid   34 and name HB*  )   ( resid   35 and name HN   )   2.92  1.12  1.12
assign ( resid   36 and name HD2* )   ( resid   40 and name HG*  )   4.85  3.05  3.05
assign ( resid   36 and name HD2* )   ( resid   76 and name HE*  )   4.01  2.21  2.21
assign ( resid   37 and name HN   )   ( resid   40 and name HG*  )   3.52  1.72  1.72
assign ( resid   37 and name HG2* )   ( resid   40 and name HG*  )   4.85  3.05  3.05
assign ( resid   38 and name HN   )   ( resid   38 and name HG*  )   2.72  0.92  0.92
assign ( resid   38 and name HA   )   ( resid   38 and name HG*  )   2.66  0.86  0.86
assign ( resid   38 and name HA   )   ( resid   41 and name HB*  )   2.53  0.73  0.73
assign ( resid   39 and name HN   )   ( resid   39 and name HB*  )   2.51  0.72  0.72
assign ( resid   39 and name HA   )   ( resid   42 and name HB*  )   2.98  1.18  1.18
assign ( resid   39 and name HB*  )   ( resid   43 and name HN   )   4.12  2.33  2.33
assign ( resid   40 and name HN   )   ( resid   40 and name HG*  )   2.68  0.89  0.89
assign ( resid   40 and name HA   )   ( resid   40 and name HG*  )   2.84  1.05  1.05
assign ( resid   40 and name HA   )   ( resid   43 and name HB*  )   3.04  1.24  1.24
assign ( resid   40 and name HG*  )   ( resid   41 and name HN   )   4.34  2.54  2.54
assign ( resid   41 and name HN   )   ( resid   41 and name HB*  )   2.75  0.96  0.96
assign ( resid   41 and name HN   )   ( resid   41 and name HG*  )   2.69  0.90  0.90
assign ( resid   41 and name HB*  )   ( resid   42 and name HN   )   2.82  1.02  1.02
assign ( resid   41 and name HG*  )   ( resid   42 and name HN   )   4.34  2.54  2.54
assign ( resid   42 and name HN   )   ( resid   42 and name HB*  )   2.55  0.76  0.76
assign ( resid   42 and name HN   )   ( resid   43 and name HB*  )   3.49  1.70  1.70
assign ( resid   42 and name HB*  )   ( resid   43 and name HN   )   2.67  0.87  0.87
assign ( resid   43 and name HB*  )   ( resid   44 and name HN   )   2.71  0.91  0.91
assign ( resid   43 and name HB*  )   ( resid   70 and name HD2* )   4.17  2.37  2.37
assign ( resid   44 and name HA   )   ( resid   47 and name HD*  )   4.22  2.43  2.43
assign ( resid   44 and name HA   )   ( resid   73 and name HG*  )   3.34  1.54  1.54
assign ( resid   44 and name HD*  )   ( resid   47 and name HD*  )   5.33  3.53  3.53
assign ( resid   44 and name HD*  )   ( resid   73 and name HG*  )   5.40  3.61  3.61
assign ( resid   44 and name HE*  )   ( resid   47 and name HD*  )   5.46  3.66  3.66
assign ( resid   46 and name HN   )   ( resid   47 and name HD*  )   4.52  2.72  2.72
assign ( resid   46 and name HB*  )   ( resid   47 and name HD*  )   5.12  3.32  3.32
assign ( resid   47 and name HN   )   ( resid   47 and name HD*  )   5.18  3.39  3.39
assign ( resid   47 and name HD*  )   ( resid   48 and name HN   )   4.97  3.17  3.17
assign ( resid   47 and name HD*  )   ( resid   55 and name HD1* )   4.83  3.03  3.03
assign ( resid   47 and name HD*  )   ( resid   73 and name HB*  )   5.62  3.83  3.83
assign ( resid   47 and name HD*  )   ( resid   73 and name HG*  )   4.52  2.73  2.73
assign ( resid   47 and name HD1* )   ( resid   73 and name HG1  )   5.29  3.49  3.49
assign ( resid   47 and name HD2* )   ( resid   73 and name HG2  )   5.29  3.49  3.49
assign ( resid   47 and name HD*  )   ( resid   74 and name HN   )   4.82  3.03  3.03
assign ( resid   47 and name HD*  )   ( resid   74 and name HA   )   5.18  3.39  3.39
assign ( resid   47 and name HD*  )   ( resid   74 and name HG2* )   4.94  3.14  3.14
assign ( resid   48 and name HD1* )   ( resid   49 and name HG*  )   4.45  2.66  2.66
assign ( resid   48 and name HD2* )   ( resid   49 and name HG*  )   4.85  3.05  3.05
assign ( resid   49 and name HN   )   ( resid   49 and name HG*  )   2.79  0.99  0.99
assign ( resid   49 and name HA   )   ( resid   49 and name HG*  )   2.69  0.90  0.90
assign ( resid   49 and name HG*  )   ( resid   50 and name HN   )   4.34  2.54  2.54
assign ( resid   51 and name HB*  )   ( resid   53 and name HG*  )   4.19  2.40  2.40
assign ( resid   52 and name HA   )   ( resid   55 and name HB*  )   3.12  1.32  1.32
assign ( resid   52 and name HB*  )   ( resid   53 and name HD*  )   3.96  2.16  2.16
assign ( resid   53 and name HB*  )   ( resid   54 and name HN   )   2.85  1.05  1.05
assign ( resid   55 and name HB*  )   ( resid   56 and name HN   )   2.75  0.95  0.95
assign ( resid   57 and name HA   )   ( resid   62 and name HB*  )   3.35  1.55  1.55
assign ( resid   57 and name HB*  )   ( resid   62 and name HB*  )   3.63  1.84  1.84
assign ( resid   60 and name HN   )   ( resid   60 and name HG*  )   2.92  1.13  1.13
assign ( resid   62 and name HN   )   ( resid   62 and name HB*  )   2.72  0.93  0.93
assign ( resid   64 and name HN   )   ( resid   64 and name HD*  )   4.34  2.54  2.54
assign ( resid   64 and name HB2  )   ( resid   64 and name HD*  )   2.66  0.86  0.86
assign ( resid   64 and name HB1  )   ( resid   64 and name HD*  )   2.76  0.96  0.96
assign ( resid   65 and name HN   )   ( resid   65 and name HB*  )   2.68  0.89  0.89
assign ( resid   65 and name HB*  )   ( resid   71 and name HB*  )   4.50  2.71  2.71
assign ( resid   66 and name HN   )   ( resid   66 and name HG*  )   3.03  1.23  1.23
assign ( resid   66 and name HA   )   ( resid   66 and name HG*  )   2.65  0.85  0.85
assign ( resid   66 and name HB2  )   ( resid   66 and name HG*  )   2.07  0.28  0.28
assign ( resid   66 and name HG*  )   ( resid   67 and name HN   )   3.62  1.83  1.83
assign ( resid   67 and name HD2* )   ( resid   68 and name HN   )   4.33  2.53  2.53
assign ( resid   67 and name HD2* )   ( resid   70 and name HG   )   4.17  2.37  2.37
assign ( resid   67 and name HD2* )   ( resid   70 and name HD1* )   3.72  1.92  1.92
assign ( resid   69 and name HA*  )   ( resid   72 and name HB*  )   4.02  2.23  2.23
assign ( resid   72 and name HA   )   ( resid   75 and name HB*  )   2.71  0.92  0.92
assign ( resid   73 and name HN   )   ( resid   73 and name HG*  )   2.83  1.04  1.04
assign ( resid   73 and name HG*  )   ( resid   77 and name HD1* )   4.19  2.40  2.40
assign ( resid   75 and name HN   )   ( resid   75 and name HB*  )   2.54  0.74  0.74
assign ( resid   75 and name HB*  )   ( resid   76 and name HN   )   2.74  0.94  0.94
assign ( resid   76 and name HA   )   ( resid   76 and name HG*  )   2.63  0.83  0.83
assign ( resid   76 and name HB2  )   ( resid   76 and name HE*  )   3.38  1.59  1.59
assign ( resid   76 and name HG*  )   ( resid   76 and name HE*  )   2.59  0.79  0.79
assign ( resid   76 and name HG*  )   ( resid   77 and name HN   )   3.79  1.99  1.99
assign ( resid   77 and name HN   )   ( resid   77 and name HG1* )   2.71  0.92  0.92
assign ( resid   77 and name HA   )   ( resid   77 and name HG1* )   2.88  1.09  1.09
assign ( resid   79 and name HA   )   ( resid   82 and name HB*  )   2.88  1.09  1.09
assign ( resid   81 and name HD2* )   ( resid   85 and name HG*  )   4.22  2.42  2.42
assign ( resid   81 and name HD21 )   ( resid   85 and name HG1* )   4.98  3.19  3.19
assign ( resid   82 and name HN   )   ( resid   82 and name HB*  )   2.47  0.67  0.67
assign ( resid   82 and name HA   )   ( resid   85 and name HG*  )   3.92  2.13  2.13
assign ( resid   82 and name HB*  )   ( resid   83 and name HN   )   2.64  0.84  0.84
assign ( resid   83 and name HB*  )   ( resid   87 and name HD*  )   5.62  3.83  3.83
assign ( resid   84 and name HN   )   ( resid   84 and name HG*  )   2.80  1.00  1.00
assign ( resid   84 and name HN   )   ( resid   85 and name HG*  )   4.88  3.08  3.08
assign ( resid   84 and name HN   )   ( resid   87 and name HB*  )   3.71  1.91  1.91
assign ( resid   84 and name HN   )   ( resid   87 and name HD*  )   5.02  3.23  3.23
assign ( resid   84 and name HA   )   ( resid   87 and name HB*  )   2.87  1.08  1.08
assign ( resid   84 and name HB*  )   ( resid   84 and name HE*  )   3.57  1.77  1.77
assign ( resid   84 and name HB*  )   ( resid   85 and name HG*  )   5.62  3.83  3.83
assign ( resid   85 and name HG*  )   ( resid   86 and name HA   )   5.18  3.39  3.39
assign ( resid   86 and name HN   )   ( resid   86 and name HG*  )   2.92  1.12  1.12
assign ( resid   86 and name HA   )   ( resid   86 and name HG*  )   2.72  0.93  0.93
assign ( resid   87 and name HN   )   ( resid   87 and name HB*  )   2.53  0.74  0.74
assign ( resid   87 and name HN   )   ( resid   87 and name HD*  )   3.95  2.16  2.16
assign ( resid   87 and name HB*  )   ( resid   88 and name HN   )   2.80  1.01  1.01
assign ( resid   88 and name HN   )   ( resid   88 and name HG*  )   2.89  1.09  1.09
assign ( resid    7 and name O    )   ( resid   11 and name HN   )   2.00  0.20  0.30
assign ( resid    7 and name O    )   ( resid   11 and name N    )   3.00  0.30  0.30
assign ( resid    8 and name O    )   ( resid   12 and name HN   )   2.00  0.20  0.30
assign ( resid    8 and name O    )   ( resid   12 and name N    )   3.00  0.30  0.30
assign ( resid   10 and name O    )   ( resid   13 and name HN   )   2.00  0.20  0.30
assign ( resid   10 and name O    )   ( resid   13 and name N    )   3.00  0.30  0.30
assign ( resid   21 and name O    )   ( resid   24 and name HN   )   2.00  0.20  0.30
assign ( resid   21 and name O    )   ( resid   24 and name N    )   3.00  0.30  0.30
assign ( resid   25 and name O    )   ( resid   29 and name HN   )   2.00  0.20  0.30
assign ( resid   25 and name O    )   ( resid   29 and name N    )   3.00  0.30  0.30
assign ( resid   28 and name O    )   ( resid   32 and name HN   )   2.00  0.20  0.30
assign ( resid   28 and name O    )   ( resid   32 and name N    )   3.00  0.30  0.30
assign ( resid   29 and name O    )   ( resid   33 and name HN   )   2.00  0.20  0.30
assign ( resid   29 and name O    )   ( resid   33 and name N    )   3.00  0.30  0.30
assign ( resid   32 and name O    )   ( resid   35 and name HN   )   2.00  0.20  0.30
assign ( resid   32 and name O    )   ( resid   35 and name N    )   3.00  0.30  0.30
assign ( resid   32 and name O    )   ( resid   36 and name HN   )   2.00  0.20  0.30
assign ( resid   32 and name O    )   ( resid   36 and name N    )   3.00  0.30  0.30
assign ( resid   37 and name O    )   ( resid   41 and name HN   )   2.00  0.20  0.30
assign ( resid   37 and name O    )   ( resid   41 and name N    )   3.00  0.30  0.30
assign ( resid   38 and name O    )   ( resid   42 and name HN   )   2.00  0.20  0.30
assign ( resid   38 and name O    )   ( resid   42 and name N    )   3.00  0.30  0.30
assign ( resid   40 and name O    )   ( resid   44 and name HN   )   2.00  0.20  0.30
assign ( resid   40 and name O    )   ( resid   44 and name N    )   3.00  0.30  0.30
assign ( resid   41 and name O    )   ( resid   45 and name HN   )   2.00  0.20  0.30
assign ( resid   41 and name O    )   ( resid   45 and name N    )   3.00  0.30  0.30
assign ( resid   42 and name O    )   ( resid   46 and name HN   )   2.00  0.20  0.30
assign ( resid   42 and name O    )   ( resid   46 and name N    )   3.00  0.30  0.30
assign ( resid   43 and name O    )   ( resid   47 and name HN   )   2.00  0.20  0.30
assign ( resid   43 and name O    )   ( resid   47 and name N    )   3.00  0.30  0.30
assign ( resid   52 and name O    )   ( resid   56 and name HN   )   2.00  0.20  0.30
assign ( resid   52 and name O    )   ( resid   56 and name N    )   3.00  0.30  0.30
assign ( resid   55 and name O    )   ( resid   59 and name HN   )   2.00  0.20  0.30
assign ( resid   55 and name O    )   ( resid   59 and name N    )   3.00  0.30  0.30
assign ( resid   57 and name O    )   ( resid   62 and name HN   )   2.00  0.20  0.30
assign ( resid   57 and name O    )   ( resid   62 and name N    )   3.00  0.30  0.30
assign ( resid   71 and name O    )   ( resid   75 and name HN   )   2.00  0.20  0.30
assign ( resid   71 and name O    )   ( resid   75 and name N    )   3.00  0.30  0.30
assign ( resid   74 and name O    )   ( resid   78 and name HN   )   2.00  0.20  0.30
assign ( resid   74 and name O    )   ( resid   78 and name N    )   3.00  0.30  0.30
assign ( resid   75 and name O    )   ( resid   79 and name HN   )   2.00  0.20  0.30
assign ( resid   75 and name O    )   ( resid   79 and name N    )   3.00  0.30  0.30
assign ( resid   82 and name O    )   ( resid   86 and name HN   )   2.00  0.20  0.30
assign ( resid   82 and name O    )   ( resid   86 and name N    )   3.00  0.30  0.30
assign ( resid   83 and name O    )   ( resid   87 and name HN   )   2.00  0.20  0.30
assign ( resid   83 and name O    )   ( resid   87 and name N    )   3.00  0.30  0.30
assign ( resid    3 and name C    )   ( resid    4 and name N    ) 
        (resid    4 and name CA   )   ( resid    4 and name C    )  1  -59.00    6.00 2
assign ( resid    4 and name N    )   ( resid    4 and name CA   ) 
        (resid    4 and name C    )   ( resid    5 and name N    )  1  -36.00    9.00 2
assign ( resid    4 and name C    )   ( resid    5 and name N    ) 
        (resid    5 and name CA   )   ( resid    5 and name C    )  1  -67.00    6.00 2
assign ( resid    5 and name N    )   ( resid    5 and name CA   ) 
        (resid    5 and name C    )   ( resid    6 and name N    )  1  -43.00    6.00 2
assign ( resid    5 and name C    )   ( resid    6 and name N    ) 
        (resid    6 and name CA   )   ( resid    6 and name C    )  1  -63.00    6.00 2
assign ( resid    6 and name N    )   ( resid    6 and name CA   ) 
        (resid    6 and name C    )   ( resid    7 and name N    )  1  -39.00    8.00 2
assign ( resid    6 and name C    )   ( resid    7 and name N    ) 
        (resid    7 and name CA   )   ( resid    7 and name C    )  1  -63.00    8.00 2
assign ( resid    7 and name N    )   ( resid    7 and name CA   ) 
        (resid    7 and name C    )   ( resid    8 and name N    )  1  -43.00    8.00 2
assign ( resid    7 and name C    )   ( resid    8 and name N    ) 
        (resid    8 and name CA   )   ( resid    8 and name C    )  1  -65.00    6.00 2
assign ( resid    8 and name N    )   ( resid    8 and name CA   ) 
        (resid    8 and name C    )   ( resid    9 and name N    )  1  -43.00    6.00 2
assign ( resid    8 and name C    )   ( resid    9 and name N    ) 
        (resid    9 and name CA   )   ( resid    9 and name C    )  1  -70.00    7.00 2
assign ( resid    9 and name N    )   ( resid    9 and name CA   ) 
        (resid    9 and name C    )   ( resid   10 and name N    )  1  -40.00    9.00 2
assign ( resid    9 and name C    )   ( resid   10 and name N    ) 
        (resid   10 and name CA   )   ( resid   10 and name C    )  1  -70.00    5.00 2
assign ( resid   10 and name N    )   ( resid   10 and name CA   ) 
        (resid   10 and name C    )   ( resid   11 and name N    )  1  -48.00    3.00 2
assign ( resid   10 and name C    )   ( resid   11 and name N    ) 
        (resid   11 and name CA   )   ( resid   11 and name C    )  1  -61.00    6.00 2
assign ( resid   11 and name N    )   ( resid   11 and name CA   ) 
        (resid   11 and name C    )   ( resid   12 and name N    )  1  -44.00    7.00 2
assign ( resid   11 and name C    )   ( resid   12 and name N    ) 
        (resid   12 and name CA   )   ( resid   12 and name C    )  1  -65.00    6.00 2
assign ( resid   12 and name N    )   ( resid   12 and name CA   ) 
        (resid   12 and name C    )   ( resid   13 and name N    )  1  -36.00   13.00 2
assign ( resid   13 and name C    )   ( resid   14 and name N    ) 
        (resid   14 and name CA   )   ( resid   14 and name C    )  1  -63.00   10.00 2
assign ( resid   14 and name N    )   ( resid   14 and name CA   ) 
        (resid   14 and name C    )   ( resid   15 and name N    )  1  -36.00    9.00 2
assign ( resid   18 and name C    )   ( resid   19 and name N    ) 
        (resid   19 and name CA   )   ( resid   19 and name C    )  1  -63.00   18.00 2
assign ( resid   19 and name N    )   ( resid   19 and name CA   ) 
        (resid   19 and name C    )   ( resid   20 and name N    )  1  -35.00   20.00 2
assign ( resid   19 and name C    )   ( resid   20 and name N    ) 
        (resid   20 and name CA   )   ( resid   20 and name C    )  1  -70.00   13.00 2
assign ( resid   20 and name N    )   ( resid   20 and name CA   ) 
        (resid   20 and name C    )   ( resid   21 and name N    )  1  -35.00   14.00 2
assign ( resid   21 and name C    )   ( resid   22 and name N    ) 
        (resid   22 and name CA   )   ( resid   22 and name C    )  1  -58.00    9.00 2
assign ( resid   22 and name N    )   ( resid   22 and name CA   ) 
        (resid   22 and name C    )   ( resid   23 and name N    )  1  -38.00    7.00 2
assign ( resid   22 and name C    )   ( resid   23 and name N    ) 
        (resid   23 and name CA   )   ( resid   23 and name C    )  1  -72.00   15.00 2
assign ( resid   23 and name N    )   ( resid   23 and name CA   ) 
        (resid   23 and name C    )   ( resid   24 and name N    )  1  -24.00   13.00 2
assign ( resid   25 and name C    )   ( resid   26 and name N    ) 
        (resid   26 and name CA   )   ( resid   26 and name C    )  1  -60.15   13.25 2
assign ( resid   26 and name N    )   ( resid   26 and name CA   ) 
        (resid   26 and name C    )   ( resid   27 and name N    )  1  -41.55   10.95 2
assign ( resid   27 and name C    )   ( resid   28 and name N    ) 
        (resid   28 and name CA   )   ( resid   28 and name C    )  1  -63.00    6.00 2
assign ( resid   28 and name N    )   ( resid   28 and name CA   ) 
        (resid   28 and name C    )   ( resid   29 and name N    )  1  -43.00    6.00 2
assign ( resid   28 and name C    )   ( resid   29 and name N    ) 
        (resid   29 and name CA   )   ( resid   29 and name C    )  1  -64.00    7.00 2
assign ( resid   29 and name N    )   ( resid   29 and name CA   ) 
        (resid   29 and name C    )   ( resid   30 and name N    )  1  -45.00   10.00 2
assign ( resid   29 and name C    )   ( resid   30 and name N    ) 
        (resid   30 and name CA   )   ( resid   30 and name C    )  1  -60.00    5.00 2
assign ( resid   30 and name N    )   ( resid   30 and name CA   ) 
        (resid   30 and name C    )   ( resid   31 and name N    )  1  -40.00    5.00 2
assign ( resid   30 and name C    )   ( resid   31 and name N    ) 
        (resid   31 and name CA   )   ( resid   31 and name C    )  1  -76.00    9.00 2
assign ( resid   31 and name N    )   ( resid   31 and name CA   ) 
        (resid   31 and name C    )   ( resid   32 and name N    )  1  -34.00   17.00 2
assign ( resid   31 and name C    )   ( resid   32 and name N    ) 
        (resid   32 and name CA   )   ( resid   32 and name C    )  1  -72.00   11.00 2
assign ( resid   32 and name N    )   ( resid   32 and name CA   ) 
        (resid   32 and name C    )   ( resid   33 and name N    )  1  -34.00   13.00 2
assign ( resid   32 and name C    )   ( resid   33 and name N    ) 
        (resid   33 and name CA   )   ( resid   33 and name C    )  1  -58.00    7.00 2
assign ( resid   33 and name N    )   ( resid   33 and name CA   ) 
        (resid   33 and name C    )   ( resid   34 and name N    )  1  -45.00    8.00 2
assign ( resid   33 and name C    )   ( resid   34 and name N    ) 
        (resid   34 and name CA   )   ( resid   34 and name C    )  1  -63.00    6.00 2
assign ( resid   34 and name N    )   ( resid   34 and name CA   ) 
        (resid   34 and name C    )   ( resid   35 and name N    )  1  -35.00   14.00 2
assign ( resid   37 and name C    )   ( resid   38 and name N    ) 
        (resid   38 and name CA   )   ( resid   38 and name C    )  1  -57.00    6.00 2
assign ( resid   38 and name N    )   ( resid   38 and name CA   ) 
        (resid   38 and name C    )   ( resid   39 and name N    )  1  -41.00    6.00 2
assign ( resid   38 and name C    )   ( resid   39 and name N    ) 
        (resid   39 and name CA   )   ( resid   39 and name C    )  1  -62.00    7.00 2
assign ( resid   39 and name N    )   ( resid   39 and name CA   ) 
        (resid   39 and name C    )   ( resid   40 and name N    )  1  -43.00    8.00 2
assign ( resid   39 and name C    )   ( resid   40 and name N    ) 
        (resid   40 and name CA   )   ( resid   40 and name C    )  1  -65.00    6.00 2
assign ( resid   40 and name N    )   ( resid   40 and name CA   ) 
        (resid   40 and name C    )   ( resid   41 and name N    )  1  -41.00    6.00 2
assign ( resid   40 and name C    )   ( resid   41 and name N    ) 
        (resid   41 and name CA   )   ( resid   41 and name C    )  1  -66.00    9.00 2
assign ( resid   41 and name N    )   ( resid   41 and name CA   ) 
        (resid   41 and name C    )   ( resid   42 and name N    )  1  -39.00   12.00 2
assign ( resid   41 and name C    )   ( resid   42 and name N    ) 
        (resid   42 and name CA   )   ( resid   42 and name C    )  1  -66.00    9.00 2
assign ( resid   42 and name N    )   ( resid   42 and name CA   ) 
        (resid   42 and name C    )   ( resid   43 and name N    )  1  -37.00    8.00 2
assign ( resid   42 and name C    )   ( resid   43 and name N    ) 
        (resid   43 and name CA   )   ( resid   43 and name C    )  1  -69.00   10.00 2
assign ( resid   43 and name N    )   ( resid   43 and name CA   ) 
        (resid   43 and name C    )   ( resid   44 and name N    )  1  -35.00    8.00 2
assign ( resid   43 and name C    )   ( resid   44 and name N    ) 
        (resid   44 and name CA   )   ( resid   44 and name C    )  1  -65.00    6.00 2
assign ( resid   44 and name N    )   ( resid   44 and name CA   ) 
        (resid   44 and name C    )   ( resid   45 and name N    )  1  -43.00    6.00 2
assign ( resid   44 and name C    )   ( resid   45 and name N    ) 
        (resid   45 and name CA   )   ( resid   45 and name C    )  1  -67.00    6.00 2
assign ( resid   45 and name N    )   ( resid   45 and name CA   ) 
        (resid   45 and name C    )   ( resid   46 and name N    )  1  -41.00    8.00 2
assign ( resid   45 and name C    )   ( resid   46 and name N    ) 
        (resid   46 and name CA   )   ( resid   46 and name C    )  1  -63.00    6.00 2
assign ( resid   46 and name N    )   ( resid   46 and name CA   ) 
        (resid   46 and name C    )   ( resid   47 and name N    )  1  -40.00    7.00 2
assign ( resid   46 and name C    )   ( resid   47 and name N    ) 
        (resid   47 and name CA   )   ( resid   47 and name C    )  1  -61.00    6.00 2
assign ( resid   47 and name N    )   ( resid   47 and name CA   ) 
        (resid   47 and name C    )   ( resid   48 and name N    )  1  -44.00    7.00 2
assign ( resid   47 and name C    )   ( resid   48 and name N    ) 
        (resid   48 and name CA   )   ( resid   48 and name C    )  1  -63.00    8.00 2
assign ( resid   48 and name N    )   ( resid   48 and name CA   ) 
        (resid   48 and name C    )   ( resid   49 and name N    )  1  -28.00    9.00 2
assign ( resid   48 and name C    )   ( resid   49 and name N    ) 
        (resid   49 and name CA   )   ( resid   49 and name C    )  1  -73.00   12.00 2
assign ( resid   49 and name N    )   ( resid   49 and name CA   ) 
        (resid   49 and name C    )   ( resid   50 and name N    )  1  -32.00   17.00 2
assign ( resid   53 and name C    )   ( resid   54 and name N    ) 
        (resid   54 and name CA   )   ( resid   54 and name C    )  1  -63.00    6.00 2
assign ( resid   54 and name N    )   ( resid   54 and name CA   ) 
        (resid   54 and name C    )   ( resid   55 and name N    )  1  -40.00    7.00 2
assign ( resid   54 and name C    )   ( resid   55 and name N    ) 
        (resid   55 and name CA   )   ( resid   55 and name C    )  1  -65.00    6.00 2
assign ( resid   55 and name N    )   ( resid   55 and name CA   ) 
        (resid   55 and name C    )   ( resid   56 and name N    )  1  -43.00    6.00 2
assign ( resid   55 and name C    )   ( resid   56 and name N    ) 
        (resid   56 and name CA   )   ( resid   56 and name C    )  1  -63.00    6.00 2
assign ( resid   56 and name N    )   ( resid   56 and name CA   ) 
        (resid   56 and name C    )   ( resid   57 and name N    )  1  -40.00    9.00 2
assign ( resid   56 and name C    )   ( resid   57 and name N    ) 
        (resid   57 and name CA   )   ( resid   57 and name C    )  1  -66.00   13.00 2
assign ( resid   57 and name N    )   ( resid   57 and name CA   ) 
        (resid   57 and name C    )   ( resid   58 and name N    )  1  -33.00   20.00 2
assign ( resid   57 and name C    )   ( resid   58 and name N    ) 
        (resid   58 and name CA   )   ( resid   58 and name C    )  1  -72.00   13.00 2
assign ( resid   58 and name N    )   ( resid   58 and name CA   ) 
        (resid   58 and name C    )   ( resid   59 and name N    )  1  -41.00   12.00 2
assign ( resid   58 and name C    )   ( resid   59 and name N    ) 
        (resid   59 and name CA   )   ( resid   59 and name C    )  1  -62.00    7.00 2
assign ( resid   59 and name N    )   ( resid   59 and name CA   ) 
        (resid   59 and name C    )   ( resid   60 and name N    )  1  -28.00   17.00 2
assign ( resid   59 and name C    )   ( resid   60 and name N    ) 
        (resid   60 and name CA   )   ( resid   60 and name C    )  1  -87.00   18.00 2
assign ( resid   60 and name N    )   ( resid   60 and name CA   ) 
        (resid   60 and name C    )   ( resid   61 and name N    )  1   -7.00   14.00 2
assign ( resid   67 and name C    )   ( resid   68 and name N    ) 
        (resid   68 and name CA   )   ( resid   68 and name C    )  1  -61.00   14.00 2
assign ( resid   68 and name N    )   ( resid   68 and name CA   ) 
        (resid   68 and name C    )   ( resid   69 and name N    )  1  -29.00   22.00 2
assign ( resid   68 and name C    )   ( resid   69 and name N    ) 
        (resid   69 and name CA   )   ( resid   69 and name C    )  1  -66.00    9.00 2
assign ( resid   69 and name N    )   ( resid   69 and name CA   ) 
        (resid   69 and name C    )   ( resid   70 and name N    )  1  -39.00    8.00 2
assign ( resid   69 and name C    )   ( resid   70 and name N    ) 
        (resid   70 and name CA   )   ( resid   70 and name C    )  1  -62.00    9.00 2
assign ( resid   70 and name N    )   ( resid   70 and name CA   ) 
        (resid   70 and name C    )   ( resid   71 and name N    )  1  -42.00   11.00 2
assign ( resid   70 and name C    )   ( resid   71 and name N    ) 
        (resid   71 and name CA   )   ( resid   71 and name C    )  1  -63.00    6.00 2
assign ( resid   71 and name N    )   ( resid   71 and name CA   ) 
        (resid   71 and name C    )   ( resid   72 and name N    )  1  -37.00   12.00 2
assign ( resid   71 and name C    )   ( resid   72 and name N    ) 
        (resid   72 and name CA   )   ( resid   72 and name C    )  1  -64.00    7.00 2
assign ( resid   72 and name N    )   ( resid   72 and name CA   ) 
        (resid   72 and name C    )   ( resid   73 and name N    )  1  -40.00   13.00 2
assign ( resid   72 and name C    )   ( resid   73 and name N    ) 
        (resid   73 and name CA   )   ( resid   73 and name C    )  1  -67.00    6.00 2
assign ( resid   73 and name N    )   ( resid   73 and name CA   ) 
        (resid   73 and name C    )   ( resid   74 and name N    )  1  -38.00    9.00 2
assign ( resid   73 and name C    )   ( resid   74 and name N    ) 
        (resid   74 and name CA   )   ( resid   74 and name C    )  1  -63.00    6.00 2
assign ( resid   74 and name N    )   ( resid   74 and name CA   ) 
        (resid   74 and name C    )   ( resid   75 and name N    )  1  -43.00    6.00 2
assign ( resid   74 and name C    )   ( resid   75 and name N    ) 
        (resid   75 and name CA   )   ( resid   75 and name C    )  1  -61.00    6.00 2
assign ( resid   75 and name N    )   ( resid   75 and name CA   ) 
        (resid   75 and name C    )   ( resid   76 and name N    )  1  -41.00    6.00 2
assign ( resid   75 and name C    )   ( resid   76 and name N    ) 
        (resid   76 and name CA   )   ( resid   76 and name C    )  1  -64.00    5.00 2
assign ( resid   76 and name N    )   ( resid   76 and name CA   ) 
        (resid   76 and name C    )   ( resid   77 and name N    )  1  -42.00    7.00 2
assign ( resid   76 and name C    )   ( resid   77 and name N    ) 
        (resid   77 and name CA   )   ( resid   77 and name C    )  1  -65.00    6.00 2
assign ( resid   77 and name N    )   ( resid   77 and name CA   ) 
        (resid   77 and name C    )   ( resid   78 and name N    )  1  -45.00    6.00 2
assign ( resid   77 and name C    )   ( resid   78 and name N    ) 
        (resid   78 and name CA   )   ( resid   78 and name C    )  1  -62.00    7.00 2
assign ( resid   78 and name N    )   ( resid   78 and name CA   ) 
        (resid   78 and name C    )   ( resid   79 and name N    )  1  -41.00    6.00 2
assign ( resid   78 and name C    )   ( resid   79 and name N    ) 
        (resid   79 and name CA   )   ( resid   79 and name C    )  1  -63.00    6.00 2
assign ( resid   79 and name N    )   ( resid   79 and name CA   ) 
        (resid   79 and name C    )   ( resid   80 and name N    )  1  -40.00    7.00 2
assign ( resid   79 and name C    )   ( resid   80 and name N    ) 
        (resid   80 and name CA   )   ( resid   80 and name C    )  1  -64.00    7.00 2
assign ( resid   80 and name N    )   ( resid   80 and name CA   ) 
        (resid   80 and name C    )   ( resid   81 and name N    )  1  -44.00    7.00 2
assign ( resid   80 and name C    )   ( resid   81 and name N    ) 
        (resid   81 and name CA   )   ( resid   81 and name C    )  1  -63.00    6.00 2
assign ( resid   81 and name N    )   ( resid   81 and name CA   ) 
        (resid   81 and name C    )   ( resid   82 and name N    )  1  -43.00    6.00 2
assign ( resid   81 and name C    )   ( resid   82 and name N    ) 
        (resid   82 and name CA   )   ( resid   82 and name C    )  1  -63.00    8.00 2
assign ( resid   82 and name N    )   ( resid   82 and name CA   ) 
        (resid   82 and name C    )   ( resid   83 and name N    )  1  -40.00    9.00 2
assign ( resid   82 and name C    )   ( resid   83 and name N    ) 
        (resid   83 and name CA   )   ( resid   83 and name C    )  1  -65.00   10.00 2
assign ( resid   83 and name N    )   ( resid   83 and name CA   ) 
        (resid   83 and name C    )   ( resid   84 and name N    )  1  -39.00   12.00 2
assign ( resid   83 and name C    )   ( resid   84 and name N    ) 
        (resid   84 and name CA   )   ( resid   84 and name C    )  1  -63.00    6.00 2
assign ( resid   84 and name N    )   ( resid   84 and name CA   ) 
        (resid   84 and name C    )   ( resid   85 and name N    )  1  -37.00   14.00 2
assign ( resid   84 and name C    )   ( resid   85 and name N    ) 
        (resid   85 and name CA   )   ( resid   85 and name C    )  1  -74.05   19.15 2
assign ( resid   85 and name N    )   ( resid   85 and name CA   ) 
        (resid   85 and name C    )   ( resid   86 and name N    )  1  -41.15   13.15 2
assign ( resid   85 and name C    )   ( resid   86 and name N    ) 
        (resid   86 and name CA   )   ( resid   86 and name C    )  1  -68.05   15.35 2
assign ( resid   86 and name N    )   ( resid   86 and name CA   ) 
        (resid   86 and name C    )   ( resid   87 and name N    )  1  -30.25   25.05 2
assign ( resid   12 and name C    )   ( resid   13 and name N    ) 
        (resid   13 and name CA   )   ( resid   13 and name C    )  1 -180.00  135.00 2
assign ( resid   12 and name C    )   ( resid   13 and name N    ) 
        (resid   13 and name CA   )   ( resid   13 and name C    )  1  -55.00  130.00 2
assign ( resid   13 and name N    )   ( resid   13 and name CA   ) 
        (resid   13 and name C    )   ( resid   14 and name N    )  1   10.00   95.00 2
assign ( resid   14 and name C    )   ( resid   15 and name N    ) 
        (resid   15 and name CA   )   ( resid   15 and name C    )  1 -180.00  135.00 2
assign ( resid   14 and name C    )   ( resid   15 and name N    ) 
        (resid   15 and name CA   )   ( resid   15 and name C    )  1  -55.00  130.00 2
assign ( resid   15 and name N    )   ( resid   15 and name CA   ) 
        (resid   15 and name C    )   ( resid   16 and name N    )  1   55.00  140.00 2
assign ( resid   15 and name C    )   ( resid   16 and name N    ) 
        (resid   16 and name CA   )   ( resid   16 and name C    )  1 -180.00  135.00 2
assign ( resid   15 and name C    )   ( resid   16 and name N    ) 
        (resid   16 and name CA   )   ( resid   16 and name C    )  1  -55.00  130.00 2
assign ( resid   16 and name N    )   ( resid   16 and name CA   ) 
        (resid   16 and name C    )   ( resid   17 and name N    )  1 -125.00  140.00 2
assign ( resid   16 and name N    )   ( resid   16 and name CA   ) 
        (resid   16 and name C    )   ( resid   17 and name N    )  1   60.00  145.00 2
assign ( resid   16 and name C    )   ( resid   17 and name N    ) 
        (resid   17 and name CA   )   ( resid   17 and name C    )  1 -180.00  135.00 2
assign ( resid   17 and name N    )   ( resid   17 and name CA   ) 
        (resid   17 and name C    )   ( resid   18 and name N    )  1    0.00  125.00 2
assign ( resid   17 and name C    )   ( resid   18 and name N    ) 
        (resid   18 and name CA   )   ( resid   18 and name C    )  1 -180.00  135.00 2
assign ( resid   17 and name C    )   ( resid   18 and name N    ) 
        (resid   18 and name CA   )   ( resid   18 and name C    )  1  -55.00  130.00 2
assign ( resid   18 and name N    )   ( resid   18 and name CA   ) 
        (resid   18 and name C    )   ( resid   19 and name N    )  1   95.00  110.00 2
assign ( resid   20 and name C    )   ( resid   21 and name N    ) 
        (resid   21 and name CA   )   ( resid   21 and name C    )  1 -115.00   70.00 2
assign ( resid   21 and name N    )   ( resid   21 and name CA   ) 
        (resid   21 and name C    )   ( resid   22 and name N    )  1  -25.00   60.00 2
assign ( resid   23 and name C    )   ( resid   24 and name N    ) 
        (resid   24 and name CA   )   ( resid   24 and name C    )  1 -180.00  135.00 2
assign ( resid   23 and name C    )   ( resid   24 and name N    ) 
        (resid   24 and name CA   )   ( resid   24 and name C    )  1  -55.00  130.00 2
assign ( resid   24 and name N    )   ( resid   24 and name CA   ) 
        (resid   24 and name C    )   ( resid   25 and name N    )  1   10.00   95.00 2
assign ( resid   24 and name C    )   ( resid   25 and name N    ) 
        (resid   25 and name CA   )   ( resid   25 and name C    )  1 -100.00   55.00 2
assign ( resid   25 and name N    )   ( resid   25 and name CA   ) 
        (resid   25 and name C    )   ( resid   26 and name N    )  1  -35.00   50.00 2
assign ( resid   27 and name N    )   ( resid   27 and name CA   ) 
        (resid   27 and name C    )   ( resid   28 and name N    )  1  -30.00   25.00 2
assign ( resid   34 and name C    )   ( resid   35 and name N    ) 
        (resid   35 and name CA   )   ( resid   35 and name C    )  1 -180.00  135.00 2
assign ( resid   34 and name C    )   ( resid   35 and name N    ) 
        (resid   35 and name CA   )   ( resid   35 and name C    )  1  -55.00  130.00 2
assign ( resid   35 and name N    )   ( resid   35 and name CA   ) 
        (resid   35 and name C    )   ( resid   36 and name N    )  1    5.00   90.00 2
assign ( resid   35 and name C    )   ( resid   36 and name N    ) 
        (resid   36 and name CA   )   ( resid   36 and name C    )  1 -180.00  135.00 2
assign ( resid   35 and name C    )   ( resid   36 and name N    ) 
        (resid   36 and name CA   )   ( resid   36 and name C    )  1  -45.00  120.00 2
assign ( resid   36 and name N    )   ( resid   36 and name CA   ) 
        (resid   36 and name C    )   ( resid   37 and name N    )  1   90.00  115.00 2
assign ( resid   36 and name C    )   ( resid   37 and name N    ) 
        (resid   37 and name CA   )   ( resid   37 and name C    )  1 -180.00  135.00 2
assign ( resid   36 and name C    )   ( resid   37 and name N    ) 
        (resid   37 and name CA   )   ( resid   37 and name C    )  1  -45.00  110.00 2
assign ( resid   37 and name N    )   ( resid   37 and name CA   ) 
        (resid   37 and name C    )   ( resid   38 and name N    )  1  160.00   35.00 2
assign ( resid   49 and name C    )   ( resid   50 and name N    ) 
        (resid   50 and name CA   )   ( resid   50 and name C    )  1 -180.00  135.00 2
assign ( resid   49 and name C    )   ( resid   50 and name N    ) 
        (resid   50 and name CA   )   ( resid   50 and name C    )  1  -55.00  130.00 2
assign ( resid   50 and name N    )   ( resid   50 and name CA   ) 
        (resid   50 and name C    )   ( resid   51 and name N    )  1  160.00   45.00 2
assign ( resid   50 and name C    )   ( resid   51 and name N    ) 
        (resid   51 and name CA   )   ( resid   51 and name C    )  1 -180.00  135.00 2
assign ( resid   50 and name C    )   ( resid   51 and name N    ) 
        (resid   51 and name CA   )   ( resid   51 and name C    )  1  -55.00  130.00 2
assign ( resid   51 and name N    )   ( resid   51 and name CA   ) 
        (resid   51 and name C    )   ( resid   52 and name N    )  1  105.00  100.00 2
assign ( resid   51 and name C    )   ( resid   52 and name N    ) 
        (resid   52 and name CA   )   ( resid   52 and name C    )  1 -180.00  135.00 2
assign ( resid   51 and name C    )   ( resid   52 and name N    ) 
        (resid   52 and name CA   )   ( resid   52 and name C    )  1  -55.00  130.00 2
assign ( resid   52 and name N    )   ( resid   52 and name CA   ) 
        (resid   52 and name C    )   ( resid   53 and name N    )  1  110.00   55.00 2
assign ( resid   52 and name N    )   ( resid   52 and name CA   ) 
        (resid   52 and name C    )   ( resid   53 and name N    )  1  -65.00  150.00 2
assign ( resid   53 and name N    )   ( resid   53 and name CA   ) 
        (resid   53 and name C    )   ( resid   54 and name N    )  1 -125.00  110.00 2
assign ( resid   53 and name N    )   ( resid   53 and name CA   ) 
        (resid   53 and name C    )   ( resid   54 and name N    )  1   70.00  125.00 2
assign ( resid   60 and name C    )   ( resid   61 and name N    ) 
        (resid   61 and name CA   )   ( resid   61 and name C    )  1 -180.00  135.00 2
assign ( resid   61 and name N    )   ( resid   61 and name CA   ) 
        (resid   61 and name C    )   ( resid   62 and name N    )  1    0.00  115.00 2
assign ( resid   61 and name C    )   ( resid   62 and name N    ) 
        (resid   62 and name CA   )   ( resid   62 and name C    )  1  170.00  125.00 2
assign ( resid   61 and name C    )   ( resid   62 and name N    ) 
        (resid   62 and name CA   )   ( resid   62 and name C    )  1  -55.00  130.00 2
assign ( resid   62 and name N    )   ( resid   62 and name CA   ) 
        (resid   62 and name C    )   ( resid   63 and name N    )  1   45.00   60.00 2
assign ( resid   62 and name C    )   ( resid   63 and name N    ) 
        (resid   63 and name CA   )   ( resid   63 and name C    )  1 -180.00  135.00 2
assign ( resid   63 and name N    )   ( resid   63 and name CA   ) 
        (resid   63 and name C    )   ( resid   64 and name N    )  1 -120.00  175.00 2
assign ( resid   63 and name N    )   ( resid   63 and name CA   ) 
        (resid   63 and name C    )   ( resid   64 and name N    )  1  120.00  175.00 2
assign ( resid   63 and name C    )   ( resid   64 and name N    ) 
        (resid   64 and name CA   )   ( resid   64 and name C    )  1 -180.00  135.00 2
assign ( resid   63 and name C    )   ( resid   64 and name N    ) 
        (resid   64 and name CA   )   ( resid   64 and name C    )  1  -55.00  130.00 2
assign ( resid   64 and name N    )   ( resid   64 and name CA   ) 
        (resid   64 and name C    )   ( resid   65 and name N    )  1  105.00   90.00 2
assign ( resid   64 and name N    )   ( resid   64 and name CA   ) 
        (resid   64 and name C    )   ( resid   65 and name N    )  1 -125.00  150.00 2
assign ( resid   64 and name C    )   ( resid   65 and name N    ) 
        (resid   65 and name CA   )   ( resid   65 and name C    )  1 -180.00  135.00 2
assign ( resid   64 and name C    )   ( resid   65 and name N    ) 
        (resid   65 and name CA   )   ( resid   65 and name C    )  1  -55.00  130.00 2
assign ( resid   65 and name N    )   ( resid   65 and name CA   ) 
        (resid   65 and name C    )   ( resid   66 and name N    )  1  105.00   90.00 2
assign ( resid   65 and name C    )   ( resid   66 and name N    ) 
        (resid   66 and name CA   )   ( resid   66 and name C    )  1  -85.00   40.00 2
assign ( resid   66 and name N    )   ( resid   66 and name CA   ) 
        (resid   66 and name C    )   ( resid   67 and name N    )  1  -60.00   25.00 2
assign ( resid   66 and name C    )   ( resid   67 and name N    ) 
        (resid   67 and name CA   )   ( resid   67 and name C    )  1 -180.00  135.00 2
assign ( resid   66 and name C    )   ( resid   67 and name N    ) 
        (resid   67 and name CA   )   ( resid   67 and name C    )  1  -55.00  130.00 2
assign ( resid   67 and name N    )   ( resid   67 and name CA   ) 
        (resid   67 and name C    )   ( resid   68 and name N    )  1  110.00   95.00 2

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    MET   1          1HT       MET   1   1.293  20.860   4.205
    2   2H    MET   1          2HT       MET   1   1.183  20.612   5.879
    3   3H    MET   1          3HT       MET   1  -0.137  21.252   5.033
    4    HA   MET   1           HA       MET   1  -0.559  18.973   5.538
    5   1HB   MET   1          2HB       MET   1   0.090  19.471   2.629
    6   2HB   MET   1          1HB       MET   1  -0.823  18.085   3.203
    7   1HG   MET   1          2HG       MET   1  -2.550  19.548   4.072
    8   2HG   MET   1          1HG       MET   1  -1.629  20.964   3.560
    9   1HE   MET   1          1HE       MET   1  -4.683  20.470   2.792
   10   2HE   MET   1          2HE       MET   1  -4.680  20.924   1.086
   11   3HE   MET   1          3HE       MET   1  -3.774  21.881   2.258
   12    H    TYR   2           H        TYR   2   0.533  17.458   6.499
   13    HA   TYR   2           HA       TYR   2   1.806  15.620   6.804
   14   1HB   TYR   2          2HB       TYR   2   1.312  15.589   4.117
   15   2HB   TYR   2          1HB       TYR   2   3.072  15.551   4.155
   16    HD1  TYR   2           1HD      TYR   2   0.118  13.901   5.705
   17    HD2  TYR   2           2HD      TYR   2   4.141  13.497   4.398
   18    HE1  TYR   2           1HE      TYR   2   0.029  11.497   6.202
   19    HE2  TYR   2           2HE      TYR   2   4.065  11.088   4.889
   20    HH   TYR   2           HH       TYR   2   1.197   9.430   5.460
   21    H    THR   3           H        THR   3   4.021  14.882   7.041
   22    HA   THR   3           HA       THR   3   6.053  16.972   6.727
   23    HB   THR   3           HB       THR   3   6.931  16.422   9.001
   24    HG1  THR   3           1HG      THR   3   5.387  15.360  10.431
   25   1HG2  THR   3          1HG2      THR   3   4.107  17.495   8.942
   26   2HG2  THR   3          2HG2      THR   3   5.582  18.429   8.696
   27   3HG2  THR   3          3HG2      THR   3   5.253  17.701  10.267
   28    H    ALA   4           H        ALA   4   8.220  16.170   6.642
   29    HA   ALA   4           HA       ALA   4   8.620  13.583   5.577
   30   1HB   ALA   4          1HB       ALA   4  10.178  15.432   5.197
   31   2HB   ALA   4          2HB       ALA   4  11.010  14.036   5.882
   32   3HB   ALA   4          3HB       ALA   4  10.617  15.419   6.904
   33    H    GLU   5           H        GLU   5   8.514  14.836   8.790
   34    HA   GLU   5           HA       GLU   5   9.698  12.775  10.256
   35   1HB   GLU   5          2HB       GLU   5   9.109  14.991  11.128
   36   2HB   GLU   5          1HB       GLU   5   7.406  14.609  10.962
   37   1HG   GLU   5          2HG       GLU   5   9.009  12.758  12.593
   38   2HG   GLU   5          1HG       GLU   5   8.767  14.378  13.233
   39    H    GLN   6           H        GLN   6   6.351  13.270   9.221
   40    HA   GLN   6           HA       GLN   6   5.298  10.896  10.323
   41   1HB   GLN   6          2HB       GLN   6   3.946  12.848   9.584
   42   2HB   GLN   6          1HB       GLN   6   4.320  12.443   7.915
   43   1HG   GLN   6          2HG       GLN   6   2.114  11.659   8.480
   44   2HG   GLN   6          1HG       GLN   6   3.186  10.289   8.193
   45   1HE2  GLN   6          1HE2      GLN   6   1.431  12.097  10.588
   46   2HE2  GLN   6          2HE2      GLN   6   1.525  10.911  11.839
   47    H    LYS   7           H        LYS   7   6.763  11.644   7.204
   48    HA   LYS   7           HA       LYS   7   6.217   9.240   5.875
   49   1HB   LYS   7          2HB       LYS   7   8.550  11.132   5.603
   50   2HB   LYS   7          1HB       LYS   7   8.269   9.776   4.521
   51   1HG   LYS   7          2HG       LYS   7   6.082  10.759   3.923
   52   2HG   LYS   7          1HG       LYS   7   6.469  12.152   4.936
   53   1HD   LYS   7          2HD       LYS   7   6.949  12.569   2.556
   54   2HD   LYS   7          1HD       LYS   7   8.399  12.659   3.557
   55   1HE   LYS   7          2HE       LYS   7   8.999  10.381   2.901
   56   2HE   LYS   7          1HE       LYS   7   7.546  10.279   1.908
   57   1HZ   LYS   7          1HZ       LYS   7   8.383  11.949   0.459
   58   2HZ   LYS   7          2HZ       LYS   7   9.620  10.806   0.671
   59   3HZ   LYS   7          3HZ       LYS   7   9.690  12.289   1.485
   60    H    ALA   8           H        ALA   8   8.720  10.079   8.182
   61    HA   ALA   8           HA       ALA   8  10.363   7.818   7.840
   62   1HB   ALA   8          1HB       ALA   8  11.097   9.825   9.029
   63   2HB   ALA   8          2HB       ALA   8  11.280   8.387  10.035
   64   3HB   ALA   8          3HB       ALA   8   9.936   9.493  10.313
   65    H    ARG   9           H        ARG   9   7.490   8.379   9.805
   66    HA   ARG   9           HA       ARG   9   7.600   6.000  11.321
   67   1HB   ARG   9          2HB       ARG   9   5.125   7.504  10.452
   68   2HB   ARG   9          1HB       ARG   9   5.240   6.367  11.786
   69   1HG   ARG   9          2HG       ARG   9   6.855   7.914  12.882
   70   2HG   ARG   9          1HG       ARG   9   6.532   9.080  11.595
   71   1HD   ARG   9          2HD       ARG   9   4.093   8.905  12.212
   72   2HD   ARG   9          1HD       ARG   9   4.595   7.986  13.629
   73    HE   ARG   9           HE       ARG   9   5.894  10.551  13.341
   74   1HH1  ARG   9          1HH1      ARG   9   3.141   8.821  14.685
   75   2HH1  ARG   9          2HH1      ARG   9   2.811  10.048  15.871
   76   1HH2  ARG   9          1HH2      ARG   9   5.447  12.141  14.872
   77   2HH2  ARG   9          2HH2      ARG   9   4.116  11.936  15.984
   78    H    ILE  10           H        ILE  10   6.281   6.765   8.155
   79    HA   ILE  10           HA       ILE  10   4.970   4.311   7.653
   80    HB   ILE  10           HB       ILE  10   6.260   6.176   5.652
   81   1HG1  ILE  10          2HG1      ILE  10   3.418   6.109   6.687
   82   2HG1  ILE  10          1HG1      ILE  10   4.627   7.322   7.098
   83   1HG2  ILE  10          1HG2      ILE  10   5.777   4.018   4.672
   84   2HG2  ILE  10          2HG2      ILE  10   4.636   5.218   4.064
   85   3HG2  ILE  10          3HG2      ILE  10   4.130   4.068   5.302
   86   1HD1  ILE  10          1HD1      ILE  10   4.709   8.052   4.795
   87   2HD1  ILE  10          2HD1      ILE  10   3.058   8.118   5.411
   88   3HD1  ILE  10          3HD1      ILE  10   3.549   6.805   4.339
   89    H    LYS  11           H        LYS  11   8.227   5.472   6.985
   90    HA   LYS  11           HA       LYS  11   9.200   3.360   5.468
   91   1HB   LYS  11          2HB       LYS  11  10.357   5.519   5.802
   92   2HB   LYS  11          1HB       LYS  11  10.715   5.059   7.459
   93   1HG   LYS  11          2HG       LYS  11  12.662   4.734   6.107
   94   2HG   LYS  11          1HG       LYS  11  12.042   3.163   6.613
   95   1HD   LYS  11          2HD       LYS  11  11.050   2.798   4.452
   96   2HD   LYS  11          1HD       LYS  11  11.473   4.433   3.940
   97   1HE   LYS  11          2HE       LYS  11  13.413   2.228   4.631
   98   2HE   LYS  11          1HE       LYS  11  13.022   2.796   3.007
   99   1HZ   LYS  11          1HZ       LYS  11  13.873   5.000   3.667
  100   2HZ   LYS  11          2HZ       LYS  11  15.063   3.793   3.713
  101   3HZ   LYS  11          3HZ       LYS  11  14.365   4.349   5.156
  102    H    TRP  12           H        TRP  12   9.083   3.723   8.992
  103    HA   TRP  12           HA       TRP  12  10.473   1.280   9.507
  104   1HB   TRP  12          2HB       TRP  12   8.833   3.115  11.229
  105   2HB   TRP  12          1HB       TRP  12   9.451   1.594  11.844
  106    HD1  TRP  12           HD       TRP  12  10.858   4.876  10.286
  107    HE1  TRP  12           1HE      TRP  12  13.197   5.269  11.311
  108    HE3  TRP  12           3HE      TRP  12  11.209   0.643  13.062
  109    HZ2  TRP  12           2HZ      TRP  12  14.950   3.934  13.087
  110    HZ3  TRP  12           3HZ      TRP  12  13.239   0.252  14.407
  111    HH2  TRP  12           HH       TRP  12  15.070   1.869  14.417
  112    H    ALA  13           H        ALA  13   7.153   2.077   8.886
  113    HA   ALA  13           HA       ALA  13   6.116  -0.272  10.206
  114   1HB   ALA  13          1HB       ALA  13   3.939   0.570   9.589
  115   2HB   ALA  13          2HB       ALA  13   4.676   1.764   8.521
  116   3HB   ALA  13          3HB       ALA  13   4.921   1.871  10.264
  117    H    CYS  14           H        CYS  14   6.741   0.726   6.878
  118    HA   CYS  14           HA       CYS  14   5.168  -1.283   5.646
  119   1HB   CYS  14          2HB       CYS  14   6.327  -0.707   3.589
  120   2HB   CYS  14          1HB       CYS  14   5.919   0.759   4.475
  121    HG   CYS  14           HG       CYS  14   8.952  -0.582   3.815
  122    H    ARG  15           H        ARG  15   8.277  -1.323   7.085
  123    HA   ARG  15           HA       ARG  15   9.429  -3.512   5.722
  124   1HB   ARG  15          2HB       ARG  15   9.927  -2.437   8.498
  125   2HB   ARG  15          1HB       ARG  15  10.943  -3.619   7.691
  126   1HG   ARG  15          2HG       ARG  15  10.468  -1.125   6.206
  127   2HG   ARG  15          1HG       ARG  15  11.407  -0.977   7.692
  128   1HD   ARG  15          2HD       ARG  15  13.005  -1.361   6.031
  129   2HD   ARG  15          1HD       ARG  15  12.796  -2.921   6.818
  130    HE   ARG  15           HE       ARG  15  11.350  -2.335   4.322
  131   1HH1  ARG  15          1HH1      ARG  15  13.653  -4.245   6.146
  132   2HH1  ARG  15          2HH1      ARG  15  13.933  -5.384   4.864
  133   1HH2  ARG  15          1HH2      ARG  15  11.768  -3.789   2.592
  134   2HH2  ARG  15          2HH2      ARG  15  12.859  -5.120   2.843
  135    H    ARG  16           H        ARG  16   7.879  -5.161   5.594
  136    HA   ARG  16           HA       ARG  16   7.309  -6.556   8.119
  137   1HB   ARG  16          2HB       ARG  16   6.033  -6.619   5.410
  138   2HB   ARG  16          1HB       ARG  16   5.929  -8.045   6.430
  139   1HG   ARG  16          2HG       ARG  16   3.952  -6.829   6.801
  140   2HG   ARG  16          1HG       ARG  16   4.960  -6.546   8.218
  141   1HD   ARG  16          2HD       ARG  16   5.620  -4.382   7.349
  142   2HD   ARG  16          1HD       ARG  16   4.706  -4.674   5.870
  143    HE   ARG  16           HE       ARG  16   3.621  -4.034   8.508
  144   1HH1  ARG  16          1HH1      ARG  16   3.026  -4.912   5.174
  145   2HH1  ARG  16          2HH1      ARG  16   1.366  -4.378   5.185
  146   1HH2  ARG  16          1HH2      ARG  16   1.422  -3.304   8.510
  147   2HH2  ARG  16          2HH2      ARG  16   0.483  -3.459   7.053
  148    H    GLY  17           H        GLY  17   7.146  -9.134   7.446
  149   1HA   GLY  17          2HA       GLY  17   9.903  -9.860   6.962
  150   2HA   GLY  17          1HA       GLY  17   8.582 -10.954   7.348
  151    H    MET  18           H        MET  18   7.347  -9.223   4.948
  152    HA   MET  18           HA       MET  18   8.532 -10.893   2.842
  153   1HB   MET  18          2HB       MET  18   6.342 -10.840   1.691
  154   2HB   MET  18          1HB       MET  18   6.268 -11.643   3.251
  155   1HG   MET  18          2HG       MET  18   5.312  -9.614   4.238
  156   2HG   MET  18          1HG       MET  18   5.357  -8.839   2.655
  157   1HE   MET  18          1HE       MET  18   3.743 -11.675   4.842
  158   2HE   MET  18          2HE       MET  18   4.483 -12.590   3.528
  159   3HE   MET  18          3HE       MET  18   2.727 -12.499   3.659
  160    H    LEU  19           H        LEU  19   9.205  -9.905   1.030
  161    HA   LEU  19           HA       LEU  19   9.718  -7.104   1.244
  162   1HB   LEU  19          2HB       LEU  19  10.303  -9.107  -0.928
  163   2HB   LEU  19          1HB       LEU  19  10.899  -7.465  -0.915
  164    HG   LEU  19           HG       LEU  19  11.542  -9.548   1.170
  165   1HD1  LEU  19          1HD1      LEU  19  12.555 -10.124  -0.948
  166   2HD1  LEU  19          2HD1      LEU  19  13.787  -9.530   0.165
  167   3HD1  LEU  19          3HD1      LEU  19  13.185  -8.485  -1.122
  168   1HD2  LEU  19          1HD2      LEU  19  13.227  -7.932   1.921
  169   2HD2  LEU  19          2HD2      LEU  19  11.592  -7.288   2.067
  170   3HD2  LEU  19          3HD2      LEU  19  12.628  -6.766   0.739
  171    H    GLU  20           H        GLU  20   7.385  -9.031  -0.394
  172    HA   GLU  20           HA       GLU  20   6.778  -7.488  -2.610
  173   1HB   GLU  20          2HB       GLU  20   4.975  -9.207  -0.916
  174   2HB   GLU  20          1HB       GLU  20   4.476  -8.487  -2.439
  175   1HG   GLU  20          2HG       GLU  20   5.094 -10.727  -2.876
  176   2HG   GLU  20          1HG       GLU  20   6.358  -9.700  -3.541
  177    H    LEU  21           H        LEU  21   5.557  -7.166   0.700
  178    HA   LEU  21           HA       LEU  21   3.724  -5.084   0.024
  179   1HB   LEU  21          2HB       LEU  21   4.839  -5.911   2.703
  180   2HB   LEU  21          1HB       LEU  21   3.515  -4.787   2.471
  181    HG   LEU  21           HG       LEU  21   3.491  -7.708   1.705
  182   1HD1  LEU  21          1HD1      LEU  21   3.433  -7.374   4.114
  183   2HD1  LEU  21          2HD1      LEU  21   1.867  -7.928   3.521
  184   3HD1  LEU  21          3HD1      LEU  21   2.103  -6.230   3.935
  185   1HD2  LEU  21          1HD2      LEU  21   2.135  -6.307   0.210
  186   2HD2  LEU  21          2HD2      LEU  21   1.282  -5.659   1.612
  187   3HD2  LEU  21          3HD2      LEU  21   1.143  -7.370   1.209
  188    H    ASP  22           H        ASP  22   6.936  -5.171   1.498
  189    HA   ASP  22           HA       ASP  22   7.132  -2.434   2.094
  190   1HB   ASP  22          2HB       ASP  22   8.622  -4.022   3.122
  191   2HB   ASP  22          1HB       ASP  22   9.256  -4.512   1.556
  192    H    VAL  23           H        VAL  23   7.937  -4.270  -0.813
  193    HA   VAL  23           HA       VAL  23   9.308  -2.095  -2.060
  194    HB   VAL  23           HB       VAL  23   9.721  -4.531  -2.552
  195   1HG1  VAL  23          1HG1      VAL  23   7.452  -5.311  -2.794
  196   2HG1  VAL  23          2HG1      VAL  23   8.337  -5.580  -4.296
  197   3HG1  VAL  23          3HG1      VAL  23   7.199  -4.239  -4.172
  198   1HG2  VAL  23          1HG2      VAL  23  10.217  -4.148  -4.920
  199   2HG2  VAL  23          2HG2      VAL  23  10.653  -2.754  -3.933
  200   3HG2  VAL  23          3HG2      VAL  23   9.181  -2.721  -4.904
  201    H    VAL  24           H        VAL  24   5.962  -2.950  -1.804
  202    HA   VAL  24           HA       VAL  24   5.318  -1.226  -4.094
  203    HB   VAL  24           HB       VAL  24   3.011  -2.017  -3.915
  204   1HG1  VAL  24          1HG1      VAL  24   3.374  -4.353  -4.575
  205   2HG1  VAL  24          2HG1      VAL  24   5.020  -4.271  -3.946
  206   3HG1  VAL  24          3HG1      VAL  24   4.550  -3.269  -5.318
  207   1HG2  VAL  24          1HG2      VAL  24   3.994  -3.732  -1.632
  208   2HG2  VAL  24          2HG2      VAL  24   2.391  -3.805  -2.363
  209   3HG2  VAL  24          3HG2      VAL  24   2.900  -2.354  -1.500
  210    H    ILE  25           H        ILE  25   6.094  -0.681  -1.079
  211    HA   ILE  25           HA       ILE  25   4.084   1.451  -0.787
  212    HB   ILE  25           HB       ILE  25   5.596   0.026   1.406
  213   1HG1  ILE  25          2HG1      ILE  25   2.630   0.167   0.815
  214   2HG1  ILE  25          1HG1      ILE  25   3.664  -1.211   0.453
  215   1HG2  ILE  25          1HG2      ILE  25   3.658   2.327   1.594
  216   2HG2  ILE  25          2HG2      ILE  25   5.391   2.398   1.909
  217   3HG2  ILE  25          3HG2      ILE  25   4.342   1.444   2.959
  218   1HD1  ILE  25          1HD1      ILE  25   3.056  -0.126   3.194
  219   2HD1  ILE  25          2HD1      ILE  25   4.105  -1.498   2.839
  220   3HD1  ILE  25          3HD1      ILE  25   2.382  -1.587   2.472
  221    H    MET  26           H        MET  26   7.493   0.594  -0.200
  222    HA   MET  26           HA       MET  26   8.366   3.029   0.777
  223   1HB   MET  26          2HB       MET  26   9.719   1.000   0.835
  224   2HB   MET  26          1HB       MET  26   9.915   1.061  -0.912
  225   1HG   MET  26          2HG       MET  26  10.979   3.339  -0.552
  226   2HG   MET  26          1HG       MET  26  11.050   2.911   1.157
  227   1HE   MET  26          1HE       MET  26  12.316   0.683   2.029
  228   2HE   MET  26          2HE       MET  26  13.279  -0.356   0.977
  229   3HE   MET  26          3HE       MET  26  11.524  -0.308   0.804
  230    HA   PRO  27           HA       PRO  27   9.318   4.774  -3.492
  231   1HB   PRO  27          2HB       PRO  27   9.203   3.326  -5.743
  232   2HB   PRO  27          1HB       PRO  27  10.566   3.200  -4.626
  233   1HG   PRO  27          2HG       PRO  27   8.320   1.322  -5.092
  234   2HG   PRO  27          1HG       PRO  27   9.984   0.986  -4.592
  235   1HD   PRO  27          2HD       PRO  27   7.700   1.132  -2.924
  236   2HD   PRO  27          1HD       PRO  27   9.392   1.010  -2.408
  237    H    PHE  28           H        PHE  28   6.534   2.713  -3.384
  238    HA   PHE  28           HA       PHE  28   5.083   3.961  -5.479
  239   1HB   PHE  28          2HB       PHE  28   4.523   1.704  -4.720
  240   2HB   PHE  28          1HB       PHE  28   4.074   2.335  -3.139
  241    HD1  PHE  28           1HD      PHE  28   3.238   2.682  -6.746
  242    HD2  PHE  28           2HD      PHE  28   1.870   2.895  -2.722
  243    HE1  PHE  28           1HE      PHE  28   0.937   3.031  -7.546
  244    HE2  PHE  28           2HE      PHE  28  -0.426   3.253  -3.517
  245    HZ   PHE  28           HZ       PHE  28  -0.897   3.319  -5.930
  246    H    PHE  29           H        PHE  29   5.300   4.479  -1.994
  247    HA   PHE  29           HA       PHE  29   3.230   6.332  -1.708
  248   1HB   PHE  29          2HB       PHE  29   4.469   5.349   0.197
  249   2HB   PHE  29          1HB       PHE  29   5.884   6.296  -0.252
  250    HD1  PHE  29           2HD      PHE  29   2.318   6.660   0.725
  251    HD2  PHE  29           1HD      PHE  29   6.193   8.412   0.645
  252    HE1  PHE  29           2HE      PHE  29   1.501   8.524   2.109
  253    HE2  PHE  29           1HE      PHE  29   5.388  10.277   2.032
  254    HZ   PHE  29           HZ       PHE  29   3.038  10.334   2.767
  255    H    GLU  30           H        GLU  30   6.492   6.715  -2.908
  256    HA   GLU  30           HA       GLU  30   6.718   9.495  -2.894
  257   1HB   GLU  30          2HB       GLU  30   7.809   7.595  -4.980
  258   2HB   GLU  30          1HB       GLU  30   8.444   9.184  -4.575
  259   1HG   GLU  30          2HG       GLU  30   8.851   8.321  -2.274
  260   2HG   GLU  30          1HG       GLU  30   8.446   6.719  -2.870
  261    H    GLU  31           H        GLU  31   5.262   7.307  -5.181
  262    HA   GLU  31           HA       GLU  31   4.509   9.417  -7.020
  263   1HB   GLU  31          2HB       GLU  31   3.742   6.493  -6.980
  264   2HB   GLU  31          1HB       GLU  31   3.400   7.621  -8.283
  265   1HG   GLU  31          2HG       GLU  31   5.778   7.898  -8.694
  266   2HG   GLU  31          1HG       GLU  31   6.144   6.804  -7.360
  267    H    CYS  32           H        CYS  32   2.862   7.234  -4.768
  268    HA   CYS  32           HA       CYS  32   0.250   8.025  -5.564
  269   1HB   CYS  32          2HB       CYS  32   0.947   5.793  -4.567
  270   2HB   CYS  32          1HB       CYS  32   0.985   6.605  -3.007
  271    HG   CYS  32           HG       CYS  32  -1.389   4.998  -3.533
  272    H    PHE  33           H        PHE  33   2.505   9.247  -3.239
  273    HA   PHE  33           HA       PHE  33   0.855  10.497  -1.394
  274   1HB   PHE  33          2HB       PHE  33   3.254  10.399  -1.119
  275   2HB   PHE  33          1HB       PHE  33   3.502  11.390  -2.547
  276    HD1  PHE  33           1HD      PHE  33   1.840  11.502   0.784
  277    HD2  PHE  33           2HD      PHE  33   3.869  13.647  -2.279
  278    HE1  PHE  33           1HE      PHE  33   1.862  13.502   2.209
  279    HE2  PHE  33           2HE      PHE  33   3.888  15.657  -0.859
  280    HZ   PHE  33           HZ       PHE  33   2.885  15.585   1.387
  281    H    ASP  34           H        ASP  34   1.734  11.481  -4.637
  282    HA   ASP  34           HA       ASP  34   0.674  14.095  -4.586
  283   1HB   ASP  34          2HB       ASP  34   2.222  13.280  -6.316
  284   2HB   ASP  34          1HB       ASP  34   0.981  12.184  -6.912
  285    H    SER  35           H        SER  35  -0.792  10.972  -4.896
  286    HA   SER  35           HA       SER  35  -3.324  12.135  -5.814
  287   1HB   SER  35          2HB       SER  35  -2.429  10.262  -7.140
  288   2HB   SER  35          1HB       SER  35  -2.408   9.245  -5.702
  289    HG   SER  35           HG       SER  35  -4.820  10.467  -6.504
  290    H    LEU  36           H        LEU  36  -1.821  11.325  -2.966
  291    HA   LEU  36           HA       LEU  36  -4.290  10.375  -1.696
  292   1HB   LEU  36          2HB       LEU  36  -1.421  10.294  -0.790
  293   2HB   LEU  36          1HB       LEU  36  -2.766   9.896   0.261
  294    HG   LEU  36           HG       LEU  36  -2.030   8.443  -2.280
  295   1HD1  LEU  36          1HD1      LEU  36  -1.446   6.605  -0.754
  296   2HD1  LEU  36          2HD1      LEU  36  -1.746   7.669   0.620
  297   3HD1  LEU  36          3HD1      LEU  36  -0.435   8.028  -0.503
  298   1HD2  LEU  36          1HD2      LEU  36  -4.172   7.872  -0.232
  299   2HD2  LEU  36          2HD2      LEU  36  -3.737   6.825  -1.583
  300   3HD2  LEU  36          3HD2      LEU  36  -4.435   8.417  -1.888
  301    H    THR  37           H        THR  37  -5.451  11.680  -0.500
  302    HA   THR  37           HA       THR  37  -4.387  14.270   0.314
  303    HB   THR  37           HB       THR  37  -6.755  14.611   1.171
  304    HG1  THR  37           1HG      THR  37  -7.154  12.151  -0.249
  305   1HG2  THR  37          1HG2      THR  37  -6.383  13.940  -1.752
  306   2HG2  THR  37          2HG2      THR  37  -6.054  15.496  -0.988
  307   3HG2  THR  37          3HG2      THR  37  -7.709  14.893  -1.087
  308    H    GLU  38           H        GLU  38  -4.897  15.006   2.584
  309    HA   GLU  38           HA       GLU  38  -3.478  13.444   4.421
  310   1HB   GLU  38          2HB       GLU  38  -5.548  15.540   5.121
  311   2HB   GLU  38          1HB       GLU  38  -4.186  15.029   6.100
  312   1HG   GLU  38          2HG       GLU  38  -4.042  16.514   3.489
  313   2HG   GLU  38          1HG       GLU  38  -3.778  17.191   5.093
  314    H    SER  39           H        SER  39  -6.980  13.839   4.011
  315    HA   SER  39           HA       SER  39  -7.845  12.322   6.174
  316   1HB   SER  39          2HB       SER  39  -9.284  13.742   4.693
  317   2HB   SER  39          1HB       SER  39  -9.193  12.480   3.467
  318    HG   SER  39           HG       SER  39 -10.656  11.392   4.509
  319    H    GLU  40           H        GLU  40  -6.986  11.268   2.890
  320    HA   GLU  40           HA       GLU  40  -7.563   8.509   3.323
  321   1HB   GLU  40          2HB       GLU  40  -5.684   9.786   1.322
  322   2HB   GLU  40          1HB       GLU  40  -6.284   8.137   1.257
  323   1HG   GLU  40          2HG       GLU  40  -8.518   8.901   0.860
  324   2HG   GLU  40          1HG       GLU  40  -8.031  10.578   1.114
  325    H    GLN  41           H        GLN  41  -4.722  10.538   3.558
  326    HA   GLN  41           HA       GLN  41  -2.825   8.503   3.971
  327   1HB   GLN  41          2HB       GLN  41  -2.841  11.451   4.567
  328   2HB   GLN  41          1HB       GLN  41  -1.446  10.445   4.903
  329   1HG   GLN  41          2HG       GLN  41  -1.621   9.732   2.444
  330   2HG   GLN  41          1HG       GLN  41  -2.675  11.134   2.267
  331   1HE2  GLN  41          1HE2      GLN  41  -1.801  13.210   2.535
  332   2HE2  GLN  41          2HE2      GLN  41  -0.102  13.490   2.458
  333    H    ASP  42           H        ASP  42  -4.855  10.319   6.217
  334    HA   ASP  42           HA       ASP  42  -3.593   9.566   8.614
  335   1HB   ASP  42          2HB       ASP  42  -5.247  11.289   8.685
  336   2HB   ASP  42          1HB       ASP  42  -6.475  10.232   8.002
  337    H    ASP  43           H        ASP  43  -6.217   8.043   6.816
  338    HA   ASP  43           HA       ASP  43  -6.591   5.915   8.662
  339   1HB   ASP  43          2HB       ASP  43  -8.172   6.842   6.800
  340   2HB   ASP  43          1HB       ASP  43  -7.324   5.703   5.759
  341    H    PHE  44           H        PHE  44  -4.608   6.415   5.840
  342    HA   PHE  44           HA       PHE  44  -3.681   3.766   5.501
  343   1HB   PHE  44          2HB       PHE  44  -3.450   5.462   3.754
  344   2HB   PHE  44          1HB       PHE  44  -2.399   6.418   4.791
  345    HD1  PHE  44           1HD      PHE  44  -2.626   3.055   3.203
  346    HD2  PHE  44           2HD      PHE  44  -0.110   6.192   4.597
  347    HE1  PHE  44           1HE      PHE  44  -0.669   1.901   2.257
  348    HE2  PHE  44           2HE      PHE  44   1.852   5.044   3.655
  349    HZ   PHE  44           HZ       PHE  44   1.572   2.895   2.479
  350    H    VAL  45           H        VAL  45  -2.289   6.563   7.220
  351    HA   VAL  45           HA       VAL  45  -0.019   5.185   8.190
  352    HB   VAL  45           HB       VAL  45  -1.385   7.640   9.307
  353   1HG1  VAL  45          1HG1      VAL  45   1.366   6.532   9.869
  354   2HG1  VAL  45          2HG1      VAL  45   0.019   6.611  11.004
  355   3HG1  VAL  45          3HG1      VAL  45   0.765   8.097  10.417
  356   1HG2  VAL  45          1HG2      VAL  45  -0.630   7.973   7.035
  357   2HG2  VAL  45          2HG2      VAL  45   0.962   7.332   7.439
  358   3HG2  VAL  45          3HG2      VAL  45   0.419   8.854   8.146
  359    H    ALA  46           H        ALA  46  -3.256   5.678   9.497
  360    HA   ALA  46           HA       ALA  46  -2.884   4.610  12.053
  361   1HB   ALA  46          1HB       ALA  46  -5.338   4.420  10.308
  362   2HB   ALA  46          2HB       ALA  46  -4.923   5.772  11.362
  363   3HB   ALA  46          3HB       ALA  46  -5.289   4.192  12.056
  364    H    LEU  47           H        LEU  47  -3.520   3.035   8.973
  365    HA   LEU  47           HA       LEU  47  -3.864   0.412   9.964
  366   1HB   LEU  47          2HB       LEU  47  -4.619   1.010   7.758
  367   2HB   LEU  47          1HB       LEU  47  -2.992   1.449   7.274
  368    HG   LEU  47           HG       LEU  47  -2.380  -0.999   7.704
  369   1HD1  LEU  47          1HD1      LEU  47  -5.378  -1.280   7.539
  370   2HD1  LEU  47          2HD1      LEU  47  -4.385  -1.593   8.963
  371   3HD1  LEU  47          3HD1      LEU  47  -4.207  -2.599   7.526
  372   1HD2  LEU  47          1HD2      LEU  47  -3.144  -1.657   5.483
  373   2HD2  LEU  47          2HD2      LEU  47  -2.518  -0.009   5.491
  374   3HD2  LEU  47          3HD2      LEU  47  -4.259  -0.290   5.459
  375    H    LEU  48           H        LEU  48  -1.047   2.264   9.027
  376    HA   LEU  48           HA       LEU  48   0.676   0.153   8.423
  377   1HB   LEU  48          2HB       LEU  48   1.298   2.943   9.369
  378   2HB   LEU  48          1HB       LEU  48   2.490   1.829   8.728
  379    HG   LEU  48           HG       LEU  48   0.112   2.895   7.203
  380   1HD1  LEU  48          1HD1      LEU  48   1.753   4.193   5.957
  381   2HD1  LEU  48          2HD1      LEU  48   3.040   3.589   7.001
  382   3HD1  LEU  48          3HD1      LEU  48   1.776   4.625   7.667
  383   1HD2  LEU  48          1HD2      LEU  48   1.174   1.870   5.264
  384   2HD2  LEU  48          2HD2      LEU  48   0.806   0.654   6.488
  385   3HD2  LEU  48          3HD2      LEU  48   2.460   1.233   6.289
  386    H    GLU  49           H        GLU  49  -0.244   1.399  11.525
  387    HA   GLU  49           HA       GLU  49   2.063   0.463  12.926
  388   1HB   GLU  49          2HB       GLU  49  -0.687   1.210  13.912
  389   2HB   GLU  49          1HB       GLU  49   0.670   0.822  14.962
  390   1HG   GLU  49          2HG       GLU  49   1.929   2.697  14.000
  391   2HG   GLU  49          1HG       GLU  49   0.534   3.099  13.000
  392    H    SER  50           H        SER  50  -0.645  -1.065  11.606
  393    HA   SER  50           HA       SER  50  -0.091  -3.493  13.181
  394   1HB   SER  50          2HB       SER  50  -2.649  -2.684  11.762
  395   2HB   SER  50          1HB       SER  50  -2.394  -4.210  12.609
  396    HG   SER  50           HG       SER  50  -2.478  -1.589  13.697
  397    H    ASP  51           H        ASP  51  -1.406  -5.274  11.423
  398    HA   ASP  51           HA       ASP  51   0.245  -5.034   9.016
  399   1HB   ASP  51          2HB       ASP  51  -0.906  -7.482  10.362
  400   2HB   ASP  51          1HB       ASP  51  -0.149  -7.513   8.774
  401    H    ASP  52           H        ASP  52  -0.884  -6.420   7.161
  402    HA   ASP  52           HA       ASP  52  -3.670  -5.478   6.977
  403   1HB   ASP  52          2HB       ASP  52  -3.043  -5.323   4.430
  404   2HB   ASP  52          1HB       ASP  52  -2.652  -4.008   5.530
  405    HA   PRO  53           HA       PRO  53  -3.247 -10.115   6.176
  406   1HB   PRO  53          2HB       PRO  53  -5.623 -10.218   7.926
  407   2HB   PRO  53          1HB       PRO  53  -4.142 -11.176   7.988
  408   1HG   PRO  53          2HG       PRO  53  -4.657  -9.280   9.808
  409   2HG   PRO  53          1HG       PRO  53  -3.010  -9.591   9.230
  410   1HD   PRO  53          2HD       PRO  53  -4.904  -7.398   8.474
  411   2HD   PRO  53          1HD       PRO  53  -3.151  -7.328   8.755
  412    H    ASP  54           H        ASP  54  -6.351  -8.414   6.689
  413    HA   ASP  54           HA       ASP  54  -7.724  -9.930   4.704
  414   1HB   ASP  54          2HB       ASP  54  -8.464  -7.245   5.891
  415   2HB   ASP  54          1HB       ASP  54  -9.538  -8.290   4.970
  416    H    LEU  55           H        LEU  55  -5.977  -6.928   4.734
  417    HA   LEU  55           HA       LEU  55  -6.859  -5.977   2.208
  418   1HB   LEU  55          2HB       LEU  55  -4.501  -5.278   3.942
  419   2HB   LEU  55          1HB       LEU  55  -4.874  -4.440   2.455
  420    HG   LEU  55           HG       LEU  55  -6.606  -4.559   4.918
  421   1HD1  LEU  55          1HD1      LEU  55  -4.695  -3.089   5.159
  422   2HD1  LEU  55          2HD1      LEU  55  -6.181  -2.150   5.012
  423   3HD1  LEU  55          3HD1      LEU  55  -5.090  -2.297   3.634
  424   1HD2  LEU  55          1HD2      LEU  55  -7.094  -3.213   2.266
  425   2HD2  LEU  55          2HD2      LEU  55  -8.062  -2.975   3.720
  426   3HD2  LEU  55          3HD2      LEU  55  -8.007  -4.559   2.946
  427    H    PHE  56           H        PHE  56  -4.038  -7.799   3.298
  428    HA   PHE  56           HA       PHE  56  -2.648  -8.011   0.897
  429   1HB   PHE  56          2HB       PHE  56  -1.767  -8.805   3.042
  430   2HB   PHE  56          1HB       PHE  56  -2.996 -10.060   3.104
  431    HD1  PHE  56           1HD      PHE  56   0.029  -8.927   1.323
  432    HD2  PHE  56           2HD      PHE  56  -2.707 -12.121   1.990
  433    HE1  PHE  56           1HE      PHE  56   1.557 -10.476   0.176
  434    HE2  PHE  56           2HE      PHE  56  -1.180 -13.669   0.844
  435    HZ   PHE  56           HZ       PHE  56   0.953 -12.848  -0.062
  436    H    ALA  57           H        ALA  57  -5.432  -9.766   2.112
  437    HA   ALA  57           HA       ALA  57  -5.568 -11.666   0.010
  438   1HB   ALA  57          1HB       ALA  57  -6.619 -12.007   2.195
  439   2HB   ALA  57          2HB       ALA  57  -7.773 -12.183   0.872
  440   3HB   ALA  57          3HB       ALA  57  -7.759 -10.710   1.841
  441    H    TRP  58           H        TRP  58  -6.715  -8.361   0.332
  442    HA   TRP  58           HA       TRP  58  -8.469  -8.402  -1.905
  443   1HB   TRP  58          2HB       TRP  58  -7.042  -6.223  -0.423
  444   2HB   TRP  58          1HB       TRP  58  -7.805  -5.860  -1.966
  445    HD1  TRP  58           HD       TRP  58  -8.885  -7.607   1.330
  446    HE1  TRP  58           1HE      TRP  58 -11.284  -6.866   1.860
  447    HE3  TRP  58           3HE      TRP  58  -9.744  -4.595  -2.726
  448    HZ2  TRP  58           2HZ      TRP  58 -13.280  -5.240   0.730
  449    HZ3  TRP  58           3HZ      TRP  58 -11.939  -3.480  -2.913
  450    HH2  TRP  58           HH       TRP  58 -13.665  -3.802  -1.220
  451    H    VAL  59           H        VAL  59  -5.023  -7.896  -1.513
  452    HA   VAL  59           HA       VAL  59  -4.459  -7.140  -4.185
  453    HB   VAL  59           HB       VAL  59  -2.618  -8.553  -2.243
  454   1HG1  VAL  59          1HG1      VAL  59  -0.823  -7.454  -3.523
  455   2HG1  VAL  59          2HG1      VAL  59  -2.028  -6.832  -4.650
  456   3HG1  VAL  59          3HG1      VAL  59  -1.760  -8.570  -4.517
  457   1HG2  VAL  59          1HG2      VAL  59  -3.083  -5.603  -2.653
  458   2HG2  VAL  59          2HG2      VAL  59  -1.841  -6.315  -1.623
  459   3HG2  VAL  59          3HG2      VAL  59  -3.547  -6.543  -1.234
  460    H    MET  60           H        MET  60  -4.881 -10.212  -2.587
  461    HA   MET  60           HA       MET  60  -4.005 -11.719  -4.913
  462   1HB   MET  60          2HB       MET  60  -5.102 -12.610  -2.242
  463   2HB   MET  60          1HB       MET  60  -4.594 -13.707  -3.519
  464   1HG   MET  60          2HG       MET  60  -2.822 -11.706  -2.133
  465   2HG   MET  60          1HG       MET  60  -2.891 -13.433  -1.782
  466   1HE   MET  60          1HE       MET  60  -1.601 -14.959  -5.173
  467   2HE   MET  60          2HE       MET  60  -3.273 -14.600  -4.743
  468   3HE   MET  60          3HE       MET  60  -2.193 -15.318  -3.549
  469    H    GLY  61           H        GLY  61  -6.841 -10.280  -3.819
  470   1HA   GLY  61          2HA       GLY  61  -8.859 -10.141  -4.961
  471   2HA   GLY  61          1HA       GLY  61  -8.321 -11.441  -6.012
  472    H    HIS  62           H        HIS  62  -8.690 -11.322  -2.478
  473    HA   HIS  62           HA       HIS  62 -11.076 -12.889  -2.447
  474   1HB   HIS  62          2HB       HIS  62  -9.061 -14.483  -3.072
  475   2HB   HIS  62          1HB       HIS  62  -8.725 -14.393  -1.350
  476    HD1  HIS  62           1HD      HIS  62 -10.030 -16.750  -3.385
  477    HD2  HIS  62           2HD      HIS  62 -11.703 -14.769  -0.130
  478    HE1  HIS  62           1HE      HIS  62 -11.874 -18.245  -2.550
  479    HE2  HIS  62           2HE      HIS  62 -12.702 -17.134  -0.441
  480    H    GLY  63           H        GLY  63 -10.571 -10.517  -1.229
  481   1HA   GLY  63          2HA       GLY  63 -10.011 -11.257   1.581
  482   2HA   GLY  63          1HA       GLY  63  -9.509  -9.728   0.882
  483    H    ARG  64           H        ARG  64 -10.774  -9.340   3.060
  484    HA   ARG  64           HA       ARG  64 -13.387  -8.348   2.213
  485   1HB   ARG  64          2HB       ARG  64 -14.349  -8.999   4.436
  486   2HB   ARG  64          1HB       ARG  64 -13.994 -10.346   3.368
  487   1HG   ARG  64          2HG       ARG  64 -12.005 -10.876   4.613
  488   2HG   ARG  64          1HG       ARG  64 -12.214  -9.444   5.622
  489   1HD   ARG  64          2HD       ARG  64 -14.256 -10.343   6.544
  490   2HD   ARG  64          1HD       ARG  64 -14.181 -11.723   5.449
  491    HE   ARG  64           HE       ARG  64 -11.938 -12.130   6.687
  492   1HH1  ARG  64          1HH1      ARG  64 -14.895 -10.922   8.118
  493   2HH1  ARG  64          2HH1      ARG  64 -14.558 -11.578   9.687
  494   1HH2  ARG  64          1HH2      ARG  64 -11.506 -13.027   8.740
  495   2HH2  ARG  64          2HH2      ARG  64 -12.638 -12.796  10.039
  496    H    CYS  65           H        CYS  65 -13.525  -6.257   2.610
  497    HA   CYS  65           HA       CYS  65 -12.324  -5.154   5.030
  498   1HB   CYS  65          2HB       CYS  65 -10.618  -4.849   3.264
  499   2HB   CYS  65          1HB       CYS  65 -11.804  -4.014   2.269
  500    HG   CYS  65           HG       CYS  65 -11.459  -2.630   5.289
  501    H    GLU  66           H        GLU  66 -14.019  -4.306   6.000
  502    HA   GLU  66           HA       GLU  66 -16.355  -3.600   4.477
  503   1HB   GLU  66          2HB       GLU  66 -15.794  -3.585   7.436
  504   2HB   GLU  66          1HB       GLU  66 -17.352  -3.167   6.730
  505   1HG   GLU  66          2HG       GLU  66 -15.932  -5.814   6.543
  506   2HG   GLU  66          1HG       GLU  66 -17.403  -5.453   7.448
  507    H    ASN  67           H        ASN  67 -13.831  -1.869   6.201
  508    HA   ASN  67           HA       ASN  67 -15.229   0.641   5.814
  509   1HB   ASN  67          2HB       ASN  67 -13.214   1.656   6.899
  510   2HB   ASN  67          1HB       ASN  67 -14.060   0.487   7.900
  511   1HD2  ASN  67          1HD2      ASN  67 -11.325   1.470   8.031
  512   2HD2  ASN  67          2HD2      ASN  67 -10.313   0.071   7.931
  513    H    LEU  68           H        LEU  68 -15.328   1.106   3.735
  514    HA   LEU  68           HA       LEU  68 -13.350   0.371   1.864
  515   1HB   LEU  68          2HB       LEU  68 -15.704   2.224   1.658
  516   2HB   LEU  68          1HB       LEU  68 -14.641   1.881   0.312
  517    HG   LEU  68           HG       LEU  68 -16.512  -0.002   1.729
  518   1HD1  LEU  68          1HD1      LEU  68 -16.173   0.737  -1.172
  519   2HD1  LEU  68          2HD1      LEU  68 -17.426   1.349  -0.090
  520   3HD1  LEU  68          3HD1      LEU  68 -17.382  -0.364  -0.511
  521   1HD2  LEU  68          1HD2      LEU  68 -14.326  -0.738  -0.216
  522   2HD2  LEU  68          2HD2      LEU  68 -15.591  -1.818   0.369
  523   3HD2  LEU  68          3HD2      LEU  68 -14.392  -1.176   1.491
  524    H    GLY  69           H        GLY  69 -13.410   2.923   4.026
  525   1HA   GLY  69          2HA       GLY  69 -11.900   4.863   2.673
  526   2HA   GLY  69          1HA       GLY  69 -11.835   4.559   4.406
  527    H    LEU  70           H        LEU  70 -10.909   1.951   4.429
  528    HA   LEU  70           HA       LEU  70  -8.135   2.237   3.842
  529   1HB   LEU  70          2HB       LEU  70  -9.861  -0.001   4.858
  530   2HB   LEU  70          1HB       LEU  70  -8.217  -0.338   4.334
  531    HG   LEU  70           HG       LEU  70  -9.071   1.466   6.596
  532   1HD1  LEU  70          1HD1      LEU  70  -7.843  -0.102   7.972
  533   2HD1  LEU  70          2HD1      LEU  70  -7.376  -1.029   6.547
  534   3HD1  LEU  70          3HD1      LEU  70  -9.068  -0.960   7.038
  535   1HD2  LEU  70          1HD2      LEU  70  -6.297   0.990   5.505
  536   2HD2  LEU  70          2HD2      LEU  70  -6.694   1.886   6.971
  537   3HD2  LEU  70          3HD2      LEU  70  -7.208   2.498   5.399
  538    H    ALA  71           H        ALA  71 -10.748   0.288   2.453
  539    HA   ALA  71           HA       ALA  71  -9.223  -1.036   0.518
  540   1HB   ALA  71          1HB       ALA  71 -11.465  -1.741   1.192
  541   2HB   ALA  71          2HB       ALA  71 -11.344  -1.565  -0.558
  542   3HB   ALA  71          3HB       ALA  71 -12.155  -0.324   0.401
  543    H    ALA  72           H        ALA  72 -10.556   2.180   0.556
  544    HA   ALA  72           HA       ALA  72 -10.607   2.766  -2.176
  545   1HB   ALA  72          1HB       ALA  72 -10.496   5.107  -1.514
  546   2HB   ALA  72          2HB       ALA  72  -9.981   4.637   0.107
  547   3HB   ALA  72          3HB       ALA  72 -11.594   4.211  -0.464
  548    H    MET  73           H        MET  73  -7.973   3.236   0.192
  549    HA   MET  73           HA       MET  73  -6.224   4.258  -1.821
  550   1HB   MET  73          2HB       MET  73  -4.481   4.200  -0.109
  551   2HB   MET  73          1HB       MET  73  -5.945   4.960   0.486
  552   1HG   MET  73          2HG       MET  73  -5.267   3.676   2.270
  553   2HG   MET  73          1HG       MET  73  -6.462   2.641   1.490
  554   1HE   MET  73          1HE       MET  73  -5.475   0.601   2.912
  555   2HE   MET  73          2HE       MET  73  -4.259   1.667   3.621
  556   3HE   MET  73          3HE       MET  73  -3.774   0.137   2.890
  557    H    VAL  74           H        VAL  74  -6.907   1.098  -0.507
  558    HA   VAL  74           HA       VAL  74  -4.698  -0.293  -1.589
  559    HB   VAL  74           HB       VAL  74  -7.515  -1.304  -1.115
  560   1HG1  VAL  74          1HG1      VAL  74  -6.504  -3.536  -1.080
  561   2HG1  VAL  74          2HG1      VAL  74  -4.941  -2.836  -1.502
  562   3HG1  VAL  74          3HG1      VAL  74  -6.282  -2.752  -2.644
  563   1HG2  VAL  74          1HG2      VAL  74  -5.063  -1.441   0.633
  564   2HG2  VAL  74          2HG2      VAL  74  -6.632  -2.163   0.989
  565   3HG2  VAL  74          3HG2      VAL  74  -6.469  -0.410   0.897
  566    H    ASP  75           H        ASP  75  -7.934   0.394  -2.855
  567    HA   ASP  75           HA       ASP  75  -7.734  -0.853  -5.344
  568   1HB   ASP  75          2HB       ASP  75  -9.848   0.008  -4.500
  569   2HB   ASP  75          1HB       ASP  75  -9.236   1.655  -4.544
  570    H    LYS  76           H        LYS  76  -6.771   2.377  -4.322
  571    HA   LYS  76           HA       LYS  76  -5.945   3.309  -6.853
  572   1HB   LYS  76          2HB       LYS  76  -5.097   4.183  -4.079
  573   2HB   LYS  76          1HB       LYS  76  -4.790   5.083  -5.563
  574   1HG   LYS  76          2HG       LYS  76  -7.131   5.414  -5.930
  575   2HG   LYS  76          1HG       LYS  76  -7.537   4.341  -4.600
  576   1HD   LYS  76          2HD       LYS  76  -7.851   6.603  -3.887
  577   2HD   LYS  76          1HD       LYS  76  -6.456   5.931  -3.043
  578   1HE   LYS  76          2HE       LYS  76  -4.948   7.155  -4.338
  579   2HE   LYS  76          1HE       LYS  76  -6.157   7.530  -5.565
  580   1HZ   LYS  76          1HZ       LYS  76  -6.393   8.522  -2.774
  581   2HZ   LYS  76          2HZ       LYS  76  -7.200   9.073  -4.159
  582   3HZ   LYS  76          3HZ       LYS  76  -5.548   9.381  -3.966
  583    H    ILE  77           H        ILE  77  -4.288   1.516  -4.315
  584    HA   ILE  77           HA       ILE  77  -1.707   1.577  -5.510
  585    HB   ILE  77           HB       ILE  77  -2.903  -0.496  -3.659
  586   1HG1  ILE  77          2HG1      ILE  77  -1.127   1.876  -3.046
  587   2HG1  ILE  77          1HG1      ILE  77  -2.848   1.786  -2.709
  588   1HG2  ILE  77          1HG2      ILE  77  -0.024   0.025  -4.388
  589   2HG2  ILE  77          2HG2      ILE  77  -0.983  -1.382  -4.851
  590   3HG2  ILE  77          3HG2      ILE  77  -0.581  -1.107  -3.156
  591   1HD1  ILE  77          1HD1      ILE  77  -0.724   0.043  -1.491
  592   2HD1  ILE  77          2HD1      ILE  77  -2.453  -0.069  -1.166
  593   3HD1  ILE  77          3HD1      ILE  77  -1.559   1.381  -0.702
  594    H    VAL  78           H        VAL  78  -4.381  -0.757  -5.598
  595    HA   VAL  78           HA       VAL  78  -3.130  -2.728  -7.144
  596    HB   VAL  78           HB       VAL  78  -6.073  -2.048  -6.959
  597   1HG1  VAL  78          1HG1      VAL  78  -4.747  -4.554  -8.006
  598   2HG1  VAL  78          2HG1      VAL  78  -5.627  -3.368  -8.969
  599   3HG1  VAL  78          3HG1      VAL  78  -6.478  -4.332  -7.761
  600   1HG2  VAL  78          1HG2      VAL  78  -5.067  -2.623  -4.815
  601   2HG2  VAL  78          2HG2      VAL  78  -4.393  -4.096  -5.509
  602   3HG2  VAL  78          3HG2      VAL  78  -6.141  -3.912  -5.359
  603    H    ALA  79           H        ALA  79  -4.974   0.123  -8.135
  604    HA   ALA  79           HA       ALA  79  -5.215  -0.416 -10.855
  605   1HB   ALA  79          1HB       ALA  79  -4.796   2.274  -9.557
  606   2HB   ALA  79          2HB       ALA  79  -6.344   1.446  -9.737
  607   3HB   ALA  79          3HB       ALA  79  -5.459   1.985 -11.164
  608    H    HIS  80           H        HIS  80  -2.507   0.980  -9.072
  609    HA   HIS  80           HA       HIS  80  -0.933   1.533 -11.389
  610   1HB   HIS  80          2HB       HIS  80  -0.693   2.619  -9.098
  611   2HB   HIS  80          1HB       HIS  80   0.112   1.143  -8.583
  612    HD1  HIS  80           1HD      HIS  80   0.615   4.265 -10.520
  613    HD2  HIS  80           2HD      HIS  80   2.681   0.741  -9.713
  614    HE1  HIS  80           1HE      HIS  80   2.992   4.692 -11.225
  615    HE2  HIS  80           2HE      HIS  80   4.260   2.622 -10.543
  616    H    ASN  81           H        ASN  81  -1.246  -1.183  -9.190
  617    HA   ASN  81           HA       ASN  81   1.009  -2.651 -10.119
  618   1HB   ASN  81          2HB       ASN  81  -0.074  -3.070  -7.936
  619   2HB   ASN  81          1HB       ASN  81  -1.507  -3.656  -8.769
  620   1HD2  ASN  81          1HD2      ASN  81  -1.386  -5.672  -7.845
  621   2HD2  ASN  81          2HD2      ASN  81  -0.176  -6.826  -8.270
  622    H    LEU  82           H        LEU  82  -2.350  -2.484 -11.121
  623    HA   LEU  82           HA       LEU  82  -2.542  -4.772 -12.648
  624   1HB   LEU  82          2HB       LEU  82  -3.820  -2.070 -12.970
  625   2HB   LEU  82          1HB       LEU  82  -4.271  -3.463 -13.919
  626    HG   LEU  82           HG       LEU  82  -4.496  -3.247 -10.920
  627   1HD1  LEU  82          1HD1      LEU  82  -6.127  -1.852 -12.041
  628   2HD1  LEU  82          2HD1      LEU  82  -6.915  -3.268 -11.346
  629   3HD1  LEU  82          3HD1      LEU  82  -6.600  -3.197 -13.079
  630   1HD2  LEU  82          1HD2      LEU  82  -5.669  -5.370 -11.042
  631   2HD2  LEU  82          2HD2      LEU  82  -4.032  -5.533 -11.679
  632   3HD2  LEU  82          3HD2      LEU  82  -5.404  -5.439 -12.784
  633    H    SER  83           H        SER  83  -1.035  -1.693 -13.480
  634    HA   SER  83           HA       SER  83  -0.852  -2.310 -16.263
  635   1HB   SER  83          2HB       SER  83   0.687  -0.348 -16.364
  636   2HB   SER  83          1HB       SER  83  -0.854   0.018 -15.592
  637    HG   SER  83           HG       SER  83   0.197   0.548 -13.867
  638    H    LYS  84           H        LYS  84   1.214  -2.803 -13.475
  639    HA   LYS  84           HA       LYS  84   3.492  -3.683 -14.839
  640   1HB   LYS  84          2HB       LYS  84   3.678  -3.133 -12.531
  641   2HB   LYS  84          1HB       LYS  84   2.344  -4.193 -12.097
  642   1HG   LYS  84          2HG       LYS  84   3.666  -6.124 -12.621
  643   2HG   LYS  84          1HG       LYS  84   4.980  -5.089 -13.163
  644   1HD   LYS  84          2HD       LYS  84   3.873  -5.079 -10.361
  645   2HD   LYS  84          1HD       LYS  84   5.282  -6.018 -10.857
  646   1HE   LYS  84          2HE       LYS  84   5.029  -3.024 -11.096
  647   2HE   LYS  84          1HE       LYS  84   5.868  -3.864  -9.792
  648   1HZ   LYS  84          1HZ       LYS  84   7.396  -3.109 -11.511
  649   2HZ   LYS  84          2HZ       LYS  84   6.573  -4.027 -12.678
  650   3HZ   LYS  84          3HZ       LYS  84   7.389  -4.804 -11.412
  651    H    VAL  85           H        VAL  85   0.575  -5.266 -13.665
  652    HA   VAL  85           HA       VAL  85   1.380  -7.929 -14.220
  653    HB   VAL  85           HB       VAL  85  -1.428  -6.818 -14.023
  654   1HG1  VAL  85          1HG1      VAL  85  -0.417  -9.647 -13.762
  655   2HG1  VAL  85          2HG1      VAL  85  -1.398  -9.003 -15.077
  656   3HG1  VAL  85          3HG1      VAL  85  -2.069  -9.114 -13.450
  657   1HG2  VAL  85          1HG2      VAL  85  -1.342  -7.582 -11.691
  658   2HG2  VAL  85          2HG2      VAL  85  -0.146  -6.330 -12.024
  659   3HG2  VAL  85          3HG2      VAL  85   0.355  -8.016 -11.905
  660    H    ARG  86           H        ARG  86  -0.490  -5.559 -16.069
  661    HA   ARG  86           HA       ARG  86  -1.027  -7.342 -18.235
  662   1HB   ARG  86          2HB       ARG  86  -1.869  -5.374 -19.398
  663   2HB   ARG  86          1HB       ARG  86  -2.447  -5.413 -17.741
  664   1HG   ARG  86          2HG       ARG  86  -0.897  -3.731 -17.077
  665   2HG   ARG  86          1HG       ARG  86  -0.119  -3.767 -18.661
  666   1HD   ARG  86          2HD       ARG  86  -3.017  -3.068 -18.259
  667   2HD   ARG  86          1HD       ARG  86  -1.727  -1.865 -18.275
  668    HE   ARG  86           HE       ARG  86  -1.287  -3.136 -20.584
  669   1HH1  ARG  86          1HH1      ARG  86  -4.290  -1.986 -19.183
  670   2HH1  ARG  86          2HH1      ARG  86  -4.984  -1.550 -20.720
  671   1HH2  ARG  86          1HH2      ARG  86  -2.200  -2.580 -22.592
  672   2HH2  ARG  86          2HH2      ARG  86  -3.805  -1.921 -22.658
  673    H    LEU  87           H        LEU  87   1.595  -5.284 -17.387
  674    HA   LEU  87           HA       LEU  87   2.704  -5.049 -20.025
  675   1HB   LEU  87          2HB       LEU  87   3.051  -3.658 -17.738
  676   2HB   LEU  87          1HB       LEU  87   4.457  -4.700 -17.663
  677    HG   LEU  87           HG       LEU  87   3.794  -2.810 -19.923
  678   1HD1  LEU  87          1HD1      LEU  87   5.758  -1.570 -19.107
  679   2HD1  LEU  87          2HD1      LEU  87   5.842  -2.660 -17.722
  680   3HD1  LEU  87          3HD1      LEU  87   4.439  -1.612 -17.938
  681   1HD2  LEU  87          1HD2      LEU  87   6.039  -3.337 -20.745
  682   2HD2  LEU  87          2HD2      LEU  87   5.007  -4.767 -20.720
  683   3HD2  LEU  87          3HD2      LEU  87   6.225  -4.536 -19.466
  684    H    GLU  88           H        GLU  88   4.276  -6.482 -17.154
  685    HA   GLU  88           HA       GLU  88   5.242  -8.644 -18.913
  686   1HB   GLU  88          2HB       GLU  88   6.791  -7.179 -16.772
  687   2HB   GLU  88          1HB       GLU  88   7.356  -8.628 -17.588
  688   1HG   GLU  88          2HG       GLU  88   7.190  -7.375 -19.746
  689   2HG   GLU  88          1HG       GLU  88   6.860  -5.924 -18.798
  690    H    HIS  89           H        HIS  89   3.050  -8.332 -16.830
  691    HA   HIS  89           HA       HIS  89   1.972  -9.700 -15.384
  692   1HB   HIS  89          2HB       HIS  89   4.246 -11.655 -15.828
  693   2HB   HIS  89          1HB       HIS  89   2.712 -12.017 -15.046
  694    HD1  HIS  89           1HD      HIS  89   0.576 -12.070 -16.615
  695    HD2  HIS  89           2HD      HIS  89   4.226 -11.725 -18.578
  696    HE1  HIS  89           1HE      HIS  89   0.105 -12.594 -19.028
  697    HE2  HIS  89           2HE      HIS  89   2.288 -12.194 -20.222
  698    H    HIS  90           H        HIS  90   3.089 -11.429 -13.383
  699    HA   HIS  90           HA       HIS  90   4.777  -9.649 -11.800
  700   1HB   HIS  90          2HB       HIS  90   3.238  -9.650  -9.898
  701   2HB   HIS  90          1HB       HIS  90   2.450  -8.950 -11.306
  702    HD1  HIS  90           1HD      HIS  90   0.378 -10.135 -12.202
  703    HD2  HIS  90           2HD      HIS  90   2.236 -12.209  -9.128
  704    HE1  HIS  90           1HE      HIS  90  -1.220 -11.955 -11.563
  705    HE2  HIS  90           2HE      HIS  90   0.074 -13.369  -9.932
  706    H    HIS  91           H        HIS  91   5.411 -10.738  -9.689
  707    HA   HIS  91           HA       HIS  91   5.237 -13.667  -9.919
  708   1HB   HIS  91          2HB       HIS  91   7.672 -11.982  -9.557
  709   2HB   HIS  91          1HB       HIS  91   7.604 -13.546  -8.745
  710    HD1  HIS  91           1HD      HIS  91   8.365 -15.470 -10.097
  711    HD2  HIS  91           2HD      HIS  91   7.136 -12.290 -12.474
  712    HE1  HIS  91           1HE      HIS  91   8.813 -16.180 -12.466
  713    HE2  HIS  91           2HE      HIS  91   7.806 -14.352 -13.879
  714    H    HIS  92           H        HIS  92   4.333 -14.550  -8.306
  715    HA   HIS  92           HA       HIS  92   4.835 -14.231  -5.601
  716   1HB   HIS  92          2HB       HIS  92   3.672 -11.971  -6.092
  717   2HB   HIS  92          1HB       HIS  92   2.207 -12.915  -6.330
  718    HD1  HIS  92           1HD      HIS  92   0.808 -12.597  -4.324
  719    HD2  HIS  92           2HD      HIS  92   4.821 -13.059  -3.353
  720    HE1  HIS  92           1HE      HIS  92   0.906 -12.513  -1.822
  721    HE2  HIS  92           2HE      HIS  92   3.363 -12.569  -1.270
  722    H    HIS  93           H        HIS  93   1.792 -14.361  -7.377
  723    HA   HIS  93           HA       HIS  93   1.961 -17.254  -7.587
  724   1HB   HIS  93          2HB       HIS  93  -0.214 -15.779  -6.155
  725   2HB   HIS  93          1HB       HIS  93  -0.687 -17.120  -7.188
  726    HD1  HIS  93           1HD      HIS  93   2.375 -18.303  -6.020
  727    HD2  HIS  93           2HD      HIS  93  -1.299 -17.693  -4.162
  728    HE1  HIS  93           1HE      HIS  93   2.382 -19.789  -3.995
  729    HE2  HIS  93           2HE      HIS  93   0.121 -19.479  -2.934
  730    H    HIS  94           H        HIS  94   1.499 -17.804  -9.638
  731    HA   HIS  94           HA       HIS  94   1.131 -17.569 -11.858
  732   1HB   HIS  94          2HB       HIS  94  -0.900 -15.591 -10.857
  733   2HB   HIS  94          1HB       HIS  94  -0.571 -15.742 -12.579
  734    HD1  HIS  94           1HD      HIS  94  -1.480 -17.784 -13.784
  735    HD2  HIS  94           2HD      HIS  94  -2.178 -17.817  -9.684
  736    HE1  HIS  94           1HE      HIS  94  -3.100 -19.672 -13.383
  737    HE2  HIS  94           2HE      HIS  94  -3.355 -19.786 -10.878
  Start of MODEL    2
    1   1H    MET   1          1HT       MET   1   0.177  14.769   4.752
    2   2H    MET   1          2HT       MET   1  -0.681  16.098   5.357
    3   3H    MET   1          3HT       MET   1  -0.142  14.882   6.413
    4    HA   MET   1           HA       MET   1   1.637  16.630   4.813
    5   1HB   MET   1          2HB       MET   1   0.952  16.738   7.763
    6   2HB   MET   1          1HB       MET   1   2.190  17.702   6.969
    7   1HG   MET   1          2HG       MET   1   0.471  18.780   5.601
    8   2HG   MET   1          1HG       MET   1  -0.763  17.809   6.404
    9   1HE   MET   1          1HE       MET   1  -1.019  20.927   6.240
   10   2HE   MET   1          2HE       MET   1  -1.487  21.322   7.891
   11   3HE   MET   1          3HE       MET   1  -2.171  19.901   7.099
   12    H    TYR   2           H        TYR   2   3.271  15.294   4.287
   13    HA   TYR   2           HA       TYR   2   4.502  13.767   6.463
   14   1HB   TYR   2          2HB       TYR   2   3.812  12.585   3.760
   15   2HB   TYR   2          1HB       TYR   2   4.745  11.780   5.018
   16    HD1  TYR   2           2HD      TYR   2   3.557  11.496   7.317
   17    HD2  TYR   2           1HD      TYR   2   1.514  12.302   3.678
   18    HE1  TYR   2           2HE      TYR   2   1.470  10.657   8.308
   19    HE2  TYR   2           1HE      TYR   2  -0.577  11.465   4.659
   20    HH   TYR   2           HH       TYR   2  -1.249   9.899   6.524
   21    H    THR   3           H        THR   3   6.528  14.327   6.591
   22    HA   THR   3           HA       THR   3   7.966  15.295   4.235
   23    HB   THR   3           HB       THR   3   9.687  15.992   5.915
   24    HG1  THR   3           1HG      THR   3   8.163  15.902   8.116
   25   1HG2  THR   3          1HG2      THR   3   8.403  17.845   6.851
   26   2HG2  THR   3          2HG2      THR   3   6.897  17.010   6.470
   27   3HG2  THR   3          3HG2      THR   3   7.953  17.565   5.170
   28    H    ALA   4           H        ALA   4  10.518  14.699   4.716
   29    HA   ALA   4           HA       ALA   4  10.839  11.966   4.153
   30   1HB   ALA   4          1HB       ALA   4  12.505  13.659   3.553
   31   2HB   ALA   4          2HB       ALA   4  13.229  12.352   4.492
   32   3HB   ALA   4          3HB       ALA   4  12.877  13.899   5.260
   33    H    GLU   5           H        GLU   5  10.758  13.734   7.158
   34    HA   GLU   5           HA       GLU   5  11.777  11.654   8.811
   35   1HB   GLU   5          2HB       GLU   5  10.052  14.043   9.475
   36   2HB   GLU   5          1HB       GLU   5  10.853  13.020  10.655
   37   1HG   GLU   5          2HG       GLU   5  13.014  13.677   9.810
   38   2HG   GLU   5          1HG       GLU   5  12.249  14.635   8.545
   39    H    GLN   6           H        GLN   6   8.550  12.743   7.883
   40    HA   GLN   6           HA       GLN   6   7.138  10.813   9.424
   41   1HB   GLN   6          2HB       GLN   6   6.294  12.360   6.963
   42   2HB   GLN   6          1HB       GLN   6   5.212  11.404   7.966
   43   1HG   GLN   6          2HG       GLN   6   6.809  13.741   8.982
   44   2HG   GLN   6          1HG       GLN   6   5.153  13.857   8.390
   45   1HE2  GLN   6          1HE2      GLN   6   4.390  14.561  10.354
   46   2HE2  GLN   6          2HE2      GLN   6   4.228  13.516  11.725
   47    H    LYS   7           H        LYS   7   8.507  10.869   6.204
   48    HA   LYS   7           HA       LYS   7   7.345   8.491   5.255
   49   1HB   LYS   7          2HB       LYS   7   8.543  10.310   3.936
   50   2HB   LYS   7          1HB       LYS   7  10.048   9.593   4.489
   51   1HG   LYS   7          2HG       LYS   7   9.559   7.551   3.365
   52   2HG   LYS   7          1HG       LYS   7   7.946   8.115   2.935
   53   1HD   LYS   7          2HD       LYS   7   9.028   9.972   1.656
   54   2HD   LYS   7          1HD       LYS   7  10.583   9.196   1.957
   55   1HE   LYS   7          2HE       LYS   7   9.860   7.213   0.769
   56   2HE   LYS   7          1HE       LYS   7   8.252   7.901   0.548
   57   1HZ   LYS   7          1HZ       LYS   7   9.339   9.729  -0.712
   58   2HZ   LYS   7          2HZ       LYS   7   9.456   8.211  -1.460
   59   3HZ   LYS   7          3HZ       LYS   7  10.795   8.859  -0.640
   60    H    ALA   8           H        ALA   8  10.160   9.201   7.210
   61    HA   ALA   8           HA       ALA   8  11.400   6.675   7.090
   62   1HB   ALA   8          1HB       ALA   8  12.533   8.708   7.885
   63   2HB   ALA   8          2HB       ALA   8  12.661   7.379   9.039
   64   3HB   ALA   8          3HB       ALA   8  11.521   8.693   9.331
   65    H    ARG   9           H        ARG   9   8.943   7.968   9.325
   66    HA   ARG   9           HA       ARG   9   8.969   5.661  10.993
   67   1HB   ARG   9          2HB       ARG   9   6.970   6.523  12.029
   68   2HB   ARG   9          1HB       ARG   9   8.096   7.844  11.771
   69   1HG   ARG   9          2HG       ARG   9   6.823   8.563   9.827
   70   2HG   ARG   9          1HG       ARG   9   5.702   7.221  10.057
   71   1HD   ARG   9          2HD       ARG   9   6.207   9.449  12.027
   72   2HD   ARG   9          1HD       ARG   9   4.816   9.330  10.952
   73    HE   ARG   9           HE       ARG   9   4.925   6.975  12.431
   74   1HH1  ARG   9          1HH1      ARG   9   4.412  10.396  12.973
   75   2HH1  ARG   9          2HH1      ARG   9   3.439  10.163  14.392
   76   1HH2  ARG   9          1HH2      ARG   9   3.638   6.658  14.293
   77   2HH2  ARG   9          2HH2      ARG   9   2.980   8.029  15.137
   78    H    ILE  10           H        ILE  10   7.343   6.512   8.044
   79    HA   ILE  10           HA       ILE  10   5.472   4.347   8.083
   80    HB   ILE  10           HB       ILE  10   6.479   6.015   5.768
   81   1HG1  ILE  10          2HG1      ILE  10   3.908   6.185   7.361
   82   2HG1  ILE  10          1HG1      ILE  10   5.280   7.279   7.522
   83   1HG2  ILE  10          1HG2      ILE  10   5.621   3.892   4.958
   84   2HG2  ILE  10          2HG2      ILE  10   4.499   5.193   4.557
   85   3HG2  ILE  10          3HG2      ILE  10   4.146   4.106   5.900
   86   1HD1  ILE  10          1HD1      ILE  10   4.953   8.052   5.252
   87   2HD1  ILE  10          2HD1      ILE  10   3.468   8.234   6.187
   88   3HD1  ILE  10          3HD1      ILE  10   3.630   6.908   5.034
   89    H    LYS  11           H        LYS  11   8.596   4.896   6.443
   90    HA   LYS  11           HA       LYS  11   8.661   2.439   5.083
   91   1HB   LYS  11          2HB       LYS  11  11.060   2.872   4.763
   92   2HB   LYS  11          1HB       LYS  11  10.094   4.299   4.431
   93   1HG   LYS  11          2HG       LYS  11  10.659   5.117   6.709
   94   2HG   LYS  11          1HG       LYS  11  11.748   3.740   6.874
   95   1HD   LYS  11          2HD       LYS  11  11.934   5.821   4.701
   96   2HD   LYS  11          1HD       LYS  11  12.881   5.838   6.187
   97   1HE   LYS  11          2HE       LYS  11  13.778   3.602   5.559
   98   2HE   LYS  11          1HE       LYS  11  12.938   3.751   4.016
   99   1HZ   LYS  11          1HZ       LYS  11  15.027   5.603   5.033
  100   2HZ   LYS  11          2HZ       LYS  11  14.219   5.744   3.550
  101   3HZ   LYS  11          3HZ       LYS  11  15.247   4.427   3.829
  102    H    TRP  12           H        TRP  12   9.768   3.318   8.324
  103    HA   TRP  12           HA       TRP  12  10.998   0.796   8.814
  104   1HB   TRP  12          2HB       TRP  12  10.255   3.117  10.542
  105   2HB   TRP  12          1HB       TRP  12  10.697   1.589  11.286
  106    HD1  TRP  12           HD       TRP  12  12.238   3.989   8.631
  107    HE1  TRP  12           1HE      TRP  12  14.791   3.992   8.985
  108    HE3  TRP  12           3HE      TRP  12  12.500   0.627  12.437
  109    HZ2  TRP  12           2HZ      TRP  12  16.664   2.732  10.684
  110    HZ3  TRP  12           3HZ      TRP  12  14.707   0.069  13.389
  111    HH2  TRP  12           HH       TRP  12  16.747   1.105  12.525
  112    H    ALA  13           H        ALA  13   7.742   1.877   8.868
  113    HA   ALA  13           HA       ALA  13   6.803  -0.170  10.663
  114   1HB   ALA  13          1HB       ALA  13   5.255   1.647   8.819
  115   2HB   ALA  13          2HB       ALA  13   5.646   1.980  10.507
  116   3HB   ALA  13          3HB       ALA  13   4.574   0.641  10.098
  117    H    CYS  14           H        CYS  14   6.600   0.433   7.154
  118    HA   CYS  14           HA       CYS  14   5.270  -2.045   6.640
  119   1HB   CYS  14          2HB       CYS  14   5.721  -1.491   4.247
  120   2HB   CYS  14          1HB       CYS  14   4.913  -0.203   5.134
  121    HG   CYS  14           HG       CYS  14   8.016  -0.266   3.790
  122    H    ARG  15           H        ARG  15   8.592  -0.883   6.201
  123    HA   ARG  15           HA       ARG  15   9.493  -3.473   5.298
  124   1HB   ARG  15          2HB       ARG  15  10.432  -1.254   4.507
  125   2HB   ARG  15          1HB       ARG  15  11.167  -1.084   6.092
  126   1HG   ARG  15          2HG       ARG  15  12.619  -2.899   5.730
  127   2HG   ARG  15          1HG       ARG  15  11.704  -3.447   4.323
  128   1HD   ARG  15          2HD       ARG  15  13.240  -0.857   4.508
  129   2HD   ARG  15          1HD       ARG  15  13.795  -2.319   3.690
  130    HE   ARG  15           HE       ARG  15  11.243  -1.522   2.717
  131   1HH1  ARG  15          1HH1      ARG  15  14.643  -0.638   2.553
  132   2HH1  ARG  15          2HH1      ARG  15  14.511   0.013   0.944
  133   1HH2  ARG  15          1HH2      ARG  15  11.089  -0.684   0.617
  134   2HH2  ARG  15          2HH2      ARG  15  12.500  -0.003  -0.144
  135    H    ARG  16           H        ARG  16  11.534  -4.354   6.502
  136    HA   ARG  16           HA       ARG  16  12.342  -5.442   8.319
  137   1HB   ARG  16          2HB       ARG  16  10.914  -3.273   9.868
  138   2HB   ARG  16          1HB       ARG  16  11.806  -4.569  10.645
  139   1HG   ARG  16          2HG       ARG  16  13.302  -2.798  10.623
  140   2HG   ARG  16          1HG       ARG  16  13.803  -3.775   9.244
  141   1HD   ARG  16          2HD       ARG  16  12.554  -2.279   7.750
  142   2HD   ARG  16          1HD       ARG  16  12.087  -1.299   9.139
  143    HE   ARG  16           HE       ARG  16  14.876  -1.490   9.127
  144   1HH1  ARG  16          1HH1      ARG  16  12.328  -0.090   7.156
  145   2HH1  ARG  16          2HH1      ARG  16  13.334   1.184   6.546
  146   1HH2  ARG  16          1HH2      ARG  16  16.186   0.194   8.331
  147   2HH2  ARG  16          2HH2      ARG  16  15.522   1.360   7.224
  148    H    GLY  17           H        GLY  17   9.007  -4.392   9.027
  149   1HA   GLY  17          2HA       GLY  17   8.251  -6.890  10.177
  150   2HA   GLY  17          1HA       GLY  17   7.165  -5.602   9.672
  151    H    MET  18           H        MET  18   7.328  -5.366   7.076
  152    HA   MET  18           HA       MET  18   6.816  -8.085   6.057
  153   1HB   MET  18          2HB       MET  18   5.500  -5.481   5.278
  154   2HB   MET  18          1HB       MET  18   5.254  -7.009   4.447
  155   1HG   MET  18          2HG       MET  18   4.551  -6.401   7.302
  156   2HG   MET  18          1HG       MET  18   3.428  -6.550   5.952
  157   1HE   MET  18          1HE       MET  18   1.999  -8.252   7.348
  158   2HE   MET  18          2HE       MET  18   3.125  -8.153   8.701
  159   3HE   MET  18          3HE       MET  18   2.637  -9.727   8.072
  160    H    LEU  19           H        LEU  19   8.724  -8.562   5.079
  161    HA   LEU  19           HA       LEU  19  10.084  -6.619   3.436
  162   1HB   LEU  19          2HB       LEU  19  10.593  -9.539   3.984
  163   2HB   LEU  19          1HB       LEU  19  11.610  -8.545   2.965
  164    HG   LEU  19           HG       LEU  19  11.129  -8.169   5.918
  165   1HD1  LEU  19          1HD1      LEU  19  12.595 -10.045   5.364
  166   2HD1  LEU  19          2HD1      LEU  19  13.482  -8.736   6.143
  167   3HD1  LEU  19          3HD1      LEU  19  13.606  -8.970   4.398
  168   1HD2  LEU  19          1HD2      LEU  19  12.833  -6.562   4.016
  169   2HD2  LEU  19          2HD2      LEU  19  12.813  -6.389   5.770
  170   3HD2  LEU  19          3HD2      LEU  19  11.369  -6.010   4.831
  171    H    GLU  20           H        GLU  20   7.836  -9.221   3.025
  172    HA   GLU  20           HA       GLU  20   8.197  -9.421   0.171
  173   1HB   GLU  20          2HB       GLU  20   5.981 -10.467   1.946
  174   2HB   GLU  20          1HB       GLU  20   6.196 -10.871   0.248
  175   1HG   GLU  20          2HG       GLU  20   8.371 -11.885   0.793
  176   2HG   GLU  20          1HG       GLU  20   8.088 -11.527   2.496
  177    H    LEU  21           H        LEU  21   6.177  -7.610   2.357
  178    HA   LEU  21           HA       LEU  21   4.363  -6.855   0.202
  179   1HB   LEU  21          2HB       LEU  21   4.254  -6.287   3.159
  180   2HB   LEU  21          1HB       LEU  21   3.044  -5.770   2.008
  181    HG   LEU  21           HG       LEU  21   3.727  -8.631   2.688
  182   1HD1  LEU  21          1HD1      LEU  21   2.512  -7.511   4.467
  183   2HD1  LEU  21          2HD1      LEU  21   1.472  -8.676   3.648
  184   3HD1  LEU  21          3HD1      LEU  21   1.300  -6.954   3.313
  185   1HD2  LEU  21          1HD2      LEU  21   1.817  -9.210   1.274
  186   2HD2  LEU  21          2HD2      LEU  21   3.083  -8.405   0.348
  187   3HD2  LEU  21          3HD2      LEU  21   1.635  -7.516   0.821
  188    H    ASP  22           H        ASP  22   7.183  -5.654   1.581
  189    HA   ASP  22           HA       ASP  22   6.750  -2.905   1.724
  190   1HB   ASP  22          2HB       ASP  22   8.842  -4.045   2.438
  191   2HB   ASP  22          1HB       ASP  22   9.256  -4.294   0.745
  192    H    VAL  23           H        VAL  23   7.397  -4.977  -1.008
  193    HA   VAL  23           HA       VAL  23   7.960  -3.061  -2.969
  194    HB   VAL  23           HB       VAL  23   6.641  -5.748  -3.376
  195   1HG1  VAL  23          1HG1      VAL  23   8.312  -4.066  -5.241
  196   2HG1  VAL  23          2HG1      VAL  23   6.573  -4.343  -5.359
  197   3HG1  VAL  23          3HG1      VAL  23   7.697  -5.682  -5.585
  198   1HG2  VAL  23          1HG2      VAL  23   8.903  -6.636  -3.655
  199   2HG2  VAL  23          2HG2      VAL  23   8.656  -5.981  -2.036
  200   3HG2  VAL  23          3HG2      VAL  23   9.572  -5.062  -3.230
  201    H    VAL  24           H        VAL  24   4.912  -4.099  -1.599
  202    HA   VAL  24           HA       VAL  24   3.478  -2.685  -3.744
  203    HB   VAL  24           HB       VAL  24   1.435  -3.822  -3.016
  204   1HG1  VAL  24          1HG1      VAL  24   2.772  -4.831  -4.762
  205   2HG1  VAL  24          2HG1      VAL  24   2.041  -6.088  -3.764
  206   3HG1  VAL  24          3HG1      VAL  24   3.746  -5.679  -3.563
  207   1HG2  VAL  24          1HG2      VAL  24   1.916  -4.112  -0.662
  208   2HG2  VAL  24          2HG2      VAL  24   3.227  -5.230  -1.040
  209   3HG2  VAL  24          3HG2      VAL  24   1.557  -5.676  -1.394
  210    H    ILE  25           H        ILE  25   4.768  -1.885  -0.931
  211    HA   ILE  25           HA       ILE  25   2.444  -0.277  -0.100
  212    HB   ILE  25           HB       ILE  25   4.817  -1.130   1.567
  213   1HG1  ILE  25          2HG1      ILE  25   1.870  -1.789   1.793
  214   2HG1  ILE  25          1HG1      ILE  25   3.099  -2.870   1.142
  215   1HG2  ILE  25          1HG2      ILE  25   3.674  -0.008   3.434
  216   2HG2  ILE  25          2HG2      ILE  25   2.454   0.597   2.313
  217   3HG2  ILE  25          3HG2      ILE  25   4.128   1.132   2.166
  218   1HD1  ILE  25          1HD1      ILE  25   4.196  -2.942   3.310
  219   2HD1  ILE  25          2HD1      ILE  25   2.507  -3.433   3.440
  220   3HD1  ILE  25          3HD1      ILE  25   3.000  -1.823   3.965
  221    H    MET  26           H        MET  26   6.029  -0.009   0.012
  222    HA   MET  26           HA       MET  26   5.963   2.743   0.508
  223   1HB   MET  26          2HB       MET  26   8.162   0.989  -0.554
  224   2HB   MET  26          1HB       MET  26   8.390   2.711  -0.278
  225   1HG   MET  26          2HG       MET  26   7.630   2.296   2.093
  226   2HG   MET  26          1HG       MET  26   7.770   0.575   1.735
  227   1HE   MET  26          1HE       MET  26   9.705   3.996   2.031
  228   2HE   MET  26          2HE       MET  26  10.052   3.492   0.376
  229   3HE   MET  26          3HE       MET  26  11.340   3.508   1.580
  230    HA   PRO  27           HA       PRO  27   6.881   3.666  -4.111
  231   1HB   PRO  27          2HB       PRO  27   6.265   1.754  -5.956
  232   2HB   PRO  27          1HB       PRO  27   7.876   1.960  -5.261
  233   1HG   PRO  27          2HG       PRO  27   5.743  -0.004  -4.562
  234   2HG   PRO  27          1HG       PRO  27   7.497  -0.241  -4.667
  235   1HD   PRO  27          2HD       PRO  27   6.180   0.063  -2.310
  236   2HD   PRO  27          1HD       PRO  27   7.858   0.585  -2.552
  237    H    PHE  28           H        PHE  28   4.188   1.468  -3.465
  238    HA   PHE  28           HA       PHE  28   2.390   2.698  -5.282
  239   1HB   PHE  28          2HB       PHE  28   2.031   0.808  -2.976
  240   2HB   PHE  28          1HB       PHE  28   0.644   1.479  -3.832
  241    HD1  PHE  28           2HD      PHE  28   3.740  -0.514  -4.298
  242    HD2  PHE  28           1HD      PHE  28  -0.062   0.579  -5.873
  243    HE1  PHE  28           2HE      PHE  28   3.955  -2.257  -6.019
  244    HE2  PHE  28           1HE      PHE  28   0.150  -1.164  -7.596
  245    HZ   PHE  28           HZ       PHE  28   2.160  -2.582  -7.672
  246    H    PHE  29           H        PHE  29   3.085   3.172  -1.851
  247    HA   PHE  29           HA       PHE  29   0.984   4.962  -1.304
  248   1HB   PHE  29          2HB       PHE  29   2.336   3.962   0.483
  249   2HB   PHE  29          1HB       PHE  29   3.749   4.855  -0.074
  250    HD1  PHE  29           2HD      PHE  29   0.245   5.457   1.048
  251    HD2  PHE  29           1HD      PHE  29   4.266   6.847   0.960
  252    HE1  PHE  29           2HE      PHE  29  -0.380   7.346   2.501
  253    HE2  PHE  29           1HE      PHE  29   3.650   8.737   2.409
  254    HZ   PHE  29           HZ       PHE  29   1.328   8.989   3.180
  255    H    GLU  30           H        GLU  30   4.235   5.491  -2.582
  256    HA   GLU  30           HA       GLU  30   4.160   8.299  -2.629
  257   1HB   GLU  30          2HB       GLU  30   5.600   6.460  -4.553
  258   2HB   GLU  30          1HB       GLU  30   5.991   8.144  -4.221
  259   1HG   GLU  30          2HG       GLU  30   6.379   7.497  -1.859
  260   2HG   GLU  30          1HG       GLU  30   6.195   5.819  -2.336
  261    H    GLU  31           H        GLU  31   3.024   5.886  -4.839
  262    HA   GLU  31           HA       GLU  31   2.224   7.669  -6.914
  263   1HB   GLU  31          2HB       GLU  31   1.670   4.797  -6.282
  264   2HB   GLU  31          1HB       GLU  31   0.744   5.606  -7.537
  265   1HG   GLU  31          2HG       GLU  31   3.749   5.453  -7.480
  266   2HG   GLU  31          1HG       GLU  31   2.706   4.346  -8.375
  267    H    CYS  32           H        CYS  32   0.384   5.982  -4.367
  268    HA   CYS  32           HA       CYS  32  -2.091   7.150  -5.191
  269   1HB   CYS  32          2HB       CYS  32  -1.378   5.662  -2.658
  270   2HB   CYS  32          1HB       CYS  32  -3.011   6.064  -3.180
  271    HG   CYS  32           HG       CYS  32  -2.048   3.285  -3.584
  272    H    PHE  33           H        PHE  33   0.397   8.075  -2.973
  273    HA   PHE  33           HA       PHE  33  -0.888   9.759  -1.206
  274   1HB   PHE  33          2HB       PHE  33   1.428   9.277  -0.953
  275   2HB   PHE  33          1HB       PHE  33   1.816   9.911  -2.541
  276    HD1  PHE  33           1HD      PHE  33   1.973  12.340  -2.890
  277    HD2  PHE  33           2HD      PHE  33   1.214  10.690   0.956
  278    HE1  PHE  33           1HE      PHE  33   2.596  14.484  -1.850
  279    HE2  PHE  33           2HE      PHE  33   1.825  12.829   2.000
  280    HZ   PHE  33           HZ       PHE  33   2.517  14.730   0.599
  281    H    ASP  34           H        ASP  34   0.037  10.372  -4.541
  282    HA   ASP  34           HA       ASP  34  -0.716  13.116  -4.585
  283   1HB   ASP  34          2HB       ASP  34   0.833  12.227  -6.227
  284   2HB   ASP  34          1HB       ASP  34  -0.379  11.091  -6.808
  285    H    SER  35           H        SER  35  -2.447  10.123  -4.973
  286    HA   SER  35           HA       SER  35  -4.765  11.495  -6.131
  287   1HB   SER  35          2HB       SER  35  -3.852   9.459  -7.268
  288   2HB   SER  35          1HB       SER  35  -4.267   8.521  -5.835
  289    HG   SER  35           HG       SER  35  -6.142  10.021  -7.366
  290    H    LEU  36           H        LEU  36  -3.695  10.962  -3.135
  291    HA   LEU  36           HA       LEU  36  -6.384  10.354  -2.086
  292   1HB   LEU  36          2HB       LEU  36  -3.700   9.887  -0.781
  293   2HB   LEU  36          1HB       LEU  36  -5.249   9.622  -0.005
  294    HG   LEU  36           HG       LEU  36  -4.190   8.118  -2.397
  295   1HD1  LEU  36          1HD1      LEU  36  -4.605   7.275   0.467
  296   2HD1  LEU  36          2HD1      LEU  36  -3.052   7.550  -0.323
  297   3HD1  LEU  36          3HD1      LEU  36  -4.090   6.227  -0.855
  298   1HD2  LEU  36          1HD2      LEU  36  -6.745   7.757  -0.832
  299   2HD2  LEU  36          2HD2      LEU  36  -6.158   6.690  -2.110
  300   3HD2  LEU  36          3HD2      LEU  36  -6.617   8.351  -2.488
  301    H    THR  37           H        THR  37  -7.114  11.545  -0.276
  302    HA   THR  37           HA       THR  37  -5.815  14.136   0.071
  303    HB   THR  37           HB       THR  37  -7.888  14.658   1.426
  304    HG1  THR  37           1HG      THR  37  -9.564  13.210   1.398
  305   1HG2  THR  37          1HG2      THR  37  -8.261  13.827  -1.456
  306   2HG2  THR  37          2HG2      THR  37  -7.699  15.397  -0.882
  307   3HG2  THR  37          3HG2      THR  37  -9.352  14.878  -0.554
  308    H    GLU  38           H        GLU  38  -5.866  14.944   2.439
  309    HA   GLU  38           HA       GLU  38  -4.134  13.396   3.992
  310   1HB   GLU  38          2HB       GLU  38  -6.084  15.465   5.034
  311   2HB   GLU  38          1HB       GLU  38  -4.571  14.976   5.774
  312   1HG   GLU  38          2HG       GLU  38  -4.800  16.347   3.107
  313   2HG   GLU  38          1HG       GLU  38  -4.482  17.166   4.632
  314    H    SER  39           H        SER  39  -7.657  13.714   4.176
  315    HA   SER  39           HA       SER  39  -8.195  12.216   6.430
  316   1HB   SER  39          2HB       SER  39  -9.849  12.175   3.896
  317   2HB   SER  39          1HB       SER  39 -10.408  11.963   5.552
  318    HG   SER  39           HG       SER  39 -10.127  14.088   5.951
  319    H    GLU  40           H        GLU  40  -7.897  11.071   3.075
  320    HA   GLU  40           HA       GLU  40  -8.350   8.333   3.632
  321   1HB   GLU  40          2HB       GLU  40  -6.666   9.387   1.363
  322   2HB   GLU  40          1HB       GLU  40  -7.633   7.921   1.399
  323   1HG   GLU  40          2HG       GLU  40  -8.767  10.703   1.486
  324   2HG   GLU  40          1HG       GLU  40  -8.585   9.743   0.020
  325    H    GLN  41           H        GLN  41  -5.485  10.327   3.436
  326    HA   GLN  41           HA       GLN  41  -3.531   8.329   3.613
  327   1HB   GLN  41          2HB       GLN  41  -3.638  11.258   4.199
  328   2HB   GLN  41          1HB       GLN  41  -2.189  10.354   4.587
  329   1HG   GLN  41          2HG       GLN  41  -1.883   9.728   2.304
  330   2HG   GLN  41          1HG       GLN  41  -3.455  10.391   1.862
  331   1HE2  GLN  41          1HE2      GLN  41  -3.701  12.593   1.685
  332   2HE2  GLN  41          2HE2      GLN  41  -2.369  13.695   1.647
  333    H    ASP  42           H        ASP  42  -5.237  10.141   6.120
  334    HA   ASP  42           HA       ASP  42  -3.824   9.167   8.364
  335   1HB   ASP  42          2HB       ASP  42  -5.272  11.063   8.600
  336   2HB   ASP  42          1HB       ASP  42  -6.653  10.158   8.003
  337    H    ASP  43           H        ASP  43  -6.620   7.972   6.644
  338    HA   ASP  43           HA       ASP  43  -7.253   5.816   8.350
  339   1HB   ASP  43          2HB       ASP  43  -8.705   6.834   6.565
  340   2HB   ASP  43          1HB       ASP  43  -7.730   5.981   5.375
  341    H    PHE  44           H        PHE  44  -5.223   6.046   5.463
  342    HA   PHE  44           HA       PHE  44  -4.507   3.319   5.305
  343   1HB   PHE  44          2HB       PHE  44  -4.218   4.849   3.422
  344   2HB   PHE  44          1HB       PHE  44  -3.031   5.777   4.332
  345    HD1  PHE  44           2HD      PHE  44  -3.687   2.496   2.759
  346    HD2  PHE  44           1HD      PHE  44  -0.759   5.135   4.374
  347    HE1  PHE  44           2HE      PHE  44  -1.902   1.059   1.865
  348    HE2  PHE  44           1HE      PHE  44   1.029   3.699   3.483
  349    HZ   PHE  44           HZ       PHE  44   0.457   1.659   2.228
  350    H    VAL  45           H        VAL  45  -2.878   6.091   6.836
  351    HA   VAL  45           HA       VAL  45  -0.592   4.697   7.692
  352    HB   VAL  45           HB       VAL  45  -1.910   7.156   8.858
  353   1HG1  VAL  45          1HG1      VAL  45  -0.528   6.070  10.562
  354   2HG1  VAL  45          2HG1      VAL  45   0.191   7.584  10.017
  355   3HG1  VAL  45          3HG1      VAL  45   0.834   6.046   9.442
  356   1HG2  VAL  45          1HG2      VAL  45   0.480   6.808   7.050
  357   2HG2  VAL  45          2HG2      VAL  45  -0.117   8.343   7.684
  358   3HG2  VAL  45          3HG2      VAL  45  -1.108   7.403   6.568
  359    H    ALA  46           H        ALA  46  -3.748   5.166   9.212
  360    HA   ALA  46           HA       ALA  46  -3.219   3.958  11.680
  361   1HB   ALA  46          1HB       ALA  46  -5.596   3.594  11.862
  362   2HB   ALA  46          2HB       ALA  46  -5.792   3.810  10.123
  363   3HB   ALA  46          3HB       ALA  46  -5.294   5.170  11.130
  364    H    LEU  47           H        LEU  47  -4.099   2.513   8.571
  365    HA   LEU  47           HA       LEU  47  -4.380  -0.138   9.481
  366   1HB   LEU  47          2HB       LEU  47  -3.903   1.114   6.824
  367   2HB   LEU  47          1HB       LEU  47  -3.671  -0.614   6.982
  368    HG   LEU  47           HG       LEU  47  -6.206   0.953   7.377
  369   1HD1  LEU  47          1HD1      LEU  47  -7.046  -0.548   5.651
  370   2HD1  LEU  47          2HD1      LEU  47  -5.484  -1.364   5.587
  371   3HD1  LEU  47          3HD1      LEU  47  -5.620   0.322   5.086
  372   1HD2  LEU  47          1HD2      LEU  47  -7.269  -1.141   8.055
  373   2HD2  LEU  47          2HD2      LEU  47  -6.024  -0.654   9.206
  374   3HD2  LEU  47          3HD2      LEU  47  -5.700  -1.944   8.046
  375    H    LEU  48           H        LEU  48  -1.556   1.701   8.514
  376    HA   LEU  48           HA       LEU  48   0.247  -0.374   8.077
  377   1HB   LEU  48          2HB       LEU  48   0.759   2.368   9.223
  378   2HB   LEU  48          1HB       LEU  48   2.007   1.281   8.645
  379    HG   LEU  48           HG       LEU  48  -0.191   2.472   6.946
  380   1HD1  LEU  48          1HD1      LEU  48   1.615   3.782   5.937
  381   2HD1  LEU  48          2HD1      LEU  48   2.752   3.117   7.109
  382   3HD1  LEU  48          3HD1      LEU  48   1.428   4.148   7.651
  383   1HD2  LEU  48          1HD2      LEU  48   0.509   0.276   6.159
  384   2HD2  LEU  48          2HD2      LEU  48   2.197   0.783   6.210
  385   3HD2  LEU  48          3HD2      LEU  48   1.083   1.540   5.071
  386    H    GLU  49           H        GLU  49  -0.787   1.095  11.110
  387    HA   GLU  49           HA       GLU  49   1.124  -0.478  12.622
  388   1HB   GLU  49          2HB       GLU  49  -1.038   1.414  13.548
  389   2HB   GLU  49          1HB       GLU  49   0.111   0.605  14.610
  390   1HG   GLU  49          2HG       GLU  49   1.924   1.695  13.179
  391   2HG   GLU  49          1HG       GLU  49   0.633   2.718  12.551
  392    H    SER  50           H        SER  50  -1.926  -0.950  11.346
  393    HA   SER  50           HA       SER  50  -2.852  -2.780  13.412
  394   1HB   SER  50          2HB       SER  50  -4.063  -2.153  10.703
  395   2HB   SER  50          1HB       SER  50  -4.854  -2.989  12.040
  396    HG   SER  50           HG       SER  50  -3.984  -0.282  11.978
  397    H    ASP  51           H        ASP  51  -3.951  -4.847  12.037
  398    HA   ASP  51           HA       ASP  51  -1.643  -6.215  10.915
  399   1HB   ASP  51          2HB       ASP  51  -4.386  -7.219  11.696
  400   2HB   ASP  51          1HB       ASP  51  -3.159  -8.232  10.943
  401    H    ASP  52           H        ASP  52  -2.202  -7.725   8.984
  402    HA   ASP  52           HA       ASP  52  -3.682  -6.092   7.021
  403   1HB   ASP  52          2HB       ASP  52  -1.909  -6.611   5.405
  404   2HB   ASP  52          1HB       ASP  52  -1.241  -5.813   6.827
  405    HA   PRO  53           HA       PRO  53  -4.724 -10.656   6.529
  406   1HB   PRO  53          2HB       PRO  53  -7.204 -10.546   7.931
  407   2HB   PRO  53          1HB       PRO  53  -5.734 -11.393   8.414
  408   1HG   PRO  53          2HG       PRO  53  -6.819  -9.214   9.739
  409   2HG   PRO  53          1HG       PRO  53  -5.138  -9.753   9.872
  410   1HD   PRO  53          2HD       PRO  53  -6.294  -7.544   8.219
  411   2HD   PRO  53          1HD       PRO  53  -4.756  -7.603   9.110
  412    H    ASP  54           H        ASP  54  -7.437  -8.364   6.924
  413    HA   ASP  54           HA       ASP  54  -8.757  -9.241   4.561
  414   1HB   ASP  54          2HB       ASP  54 -10.207  -7.246   4.906
  415   2HB   ASP  54          1HB       ASP  54 -10.066  -8.257   6.338
  416    H    LEU  55           H        LEU  55  -6.464  -6.714   5.325
  417    HA   LEU  55           HA       LEU  55  -6.597  -5.216   2.969
  418   1HB   LEU  55          2HB       LEU  55  -5.303  -4.732   5.115
  419   2HB   LEU  55          1HB       LEU  55  -4.067  -5.806   4.499
  420    HG   LEU  55           HG       LEU  55  -4.960  -3.357   2.981
  421   1HD1  LEU  55          1HD1      LEU  55  -4.181  -2.681   5.205
  422   2HD1  LEU  55          2HD1      LEU  55  -3.056  -2.186   3.940
  423   3HD1  LEU  55          3HD1      LEU  55  -2.687  -3.582   4.951
  424   1HD2  LEU  55          1HD2      LEU  55  -3.726  -5.035   1.696
  425   2HD2  LEU  55          2HD2      LEU  55  -2.428  -5.000   2.889
  426   3HD2  LEU  55          3HD2      LEU  55  -2.772  -3.569   1.917
  427    H    PHE  56           H        PHE  56  -4.543  -8.010   3.784
  428    HA   PHE  56           HA       PHE  56  -3.239  -8.295   1.335
  429   1HB   PHE  56          2HB       PHE  56  -2.736  -9.505   3.504
  430   2HB   PHE  56          1HB       PHE  56  -4.103 -10.552   3.153
  431    HD1  PHE  56           2HD      PHE  56  -0.765  -9.514   1.984
  432    HD2  PHE  56           1HD      PHE  56  -3.920 -12.347   1.631
  433    HE1  PHE  56           2HE      PHE  56   0.701 -10.971   0.653
  434    HE2  PHE  56           1HE      PHE  56  -2.458 -13.811   0.297
  435    HZ   PHE  56           HZ       PHE  56  -0.146 -13.124  -0.194
  436    H    ALA  57           H        ALA  57  -6.364  -9.459   2.439
  437    HA   ALA  57           HA       ALA  57  -6.870 -11.217   0.283
  438   1HB   ALA  57          1HB       ALA  57  -8.842  -9.887   2.132
  439   2HB   ALA  57          2HB       ALA  57  -7.992 -11.398   2.457
  440   3HB   ALA  57          3HB       ALA  57  -9.144 -11.303   1.124
  441    H    TRP  58           H        TRP  58  -7.625  -7.790   0.802
  442    HA   TRP  58           HA       TRP  58  -9.374  -7.564  -1.404
  443   1HB   TRP  58          2HB       TRP  58  -7.902  -5.584   0.270
  444   2HB   TRP  58          1HB       TRP  58  -8.646  -5.051  -1.239
  445    HD1  TRP  58           HD       TRP  58  -9.594  -6.726   2.066
  446    HE1  TRP  58           1HE      TRP  58 -12.053  -6.194   2.587
  447    HE3  TRP  58           3HE      TRP  58 -10.804  -4.317  -2.254
  448    HZ2  TRP  58           2HZ      TRP  58 -14.238  -4.940   1.305
  449    HZ3  TRP  58           3HZ      TRP  58 -13.109  -3.494  -2.545
  450    HH2  TRP  58           HH       TRP  58 -14.787  -3.802  -0.801
  451    H    VAL  59           H        VAL  59  -5.904  -7.039  -1.036
  452    HA   VAL  59           HA       VAL  59  -5.437  -6.041  -3.639
  453    HB   VAL  59           HB       VAL  59  -3.512  -7.544  -1.852
  454   1HG1  VAL  59          1HG1      VAL  59  -1.765  -6.345  -3.085
  455   2HG1  VAL  59          2HG1      VAL  59  -2.995  -5.629  -4.127
  456   3HG1  VAL  59          3HG1      VAL  59  -2.723  -7.370  -4.156
  457   1HG2  VAL  59          1HG2      VAL  59  -4.068  -4.586  -2.045
  458   2HG2  VAL  59          2HG2      VAL  59  -2.781  -5.330  -1.096
  459   3HG2  VAL  59          3HG2      VAL  59  -4.470  -5.637  -0.687
  460    H    MET  60           H        MET  60  -5.688  -9.278  -2.324
  461    HA   MET  60           HA       MET  60  -4.696 -10.551  -4.688
  462   1HB   MET  60          2HB       MET  60  -4.424 -11.427  -2.350
  463   2HB   MET  60          1HB       MET  60  -6.149 -11.772  -2.342
  464   1HG   MET  60          2HG       MET  60  -5.899 -13.304  -4.150
  465   2HG   MET  60          1HG       MET  60  -4.197 -12.892  -4.312
  466   1HE   MET  60          1HE       MET  60  -4.012 -16.543  -2.936
  467   2HE   MET  60          2HE       MET  60  -3.486 -15.431  -4.200
  468   3HE   MET  60          3HE       MET  60  -5.186 -15.891  -4.081
  469    H    GLY  61           H        GLY  61  -7.774  -9.483  -3.493
  470   1HA   GLY  61          2HA       GLY  61  -9.522  -9.055  -5.064
  471   2HA   GLY  61          1HA       GLY  61  -8.959 -10.414  -6.020
  472    H    HIS  62           H        HIS  62  -9.275 -10.831  -2.590
  473    HA   HIS  62           HA       HIS  62 -11.939 -12.011  -2.885
  474   1HB   HIS  62          2HB       HIS  62  -9.477 -13.527  -2.015
  475   2HB   HIS  62          1HB       HIS  62 -11.092 -14.040  -1.550
  476    HD1  HIS  62           1HD      HIS  62  -8.667 -14.955  -3.849
  477    HD2  HIS  62           2HD      HIS  62 -12.722 -14.117  -4.219
  478    HE1  HIS  62           1HE      HIS  62  -9.399 -16.078  -5.978
  479    HE2  HIS  62           2HE      HIS  62 -11.893 -15.724  -6.072
  480    H    GLY  63           H        GLY  63 -11.407  -9.652  -1.603
  481   1HA   GLY  63          2HA       GLY  63 -11.248 -10.421   1.247
  482   2HA   GLY  63          1HA       GLY  63 -10.543  -8.945   0.613
  483    H    ARG  64           H        ARG  64 -12.584  -9.531   2.701
  484    HA   ARG  64           HA       ARG  64 -14.423  -7.410   1.819
  485   1HB   ARG  64          2HB       ARG  64 -15.041  -9.822   3.525
  486   2HB   ARG  64          1HB       ARG  64 -16.020  -8.370   3.596
  487   1HG   ARG  64          2HG       ARG  64 -17.119  -9.889   2.146
  488   2HG   ARG  64          1HG       ARG  64 -16.432  -8.615   1.142
  489   1HD   ARG  64          2HD       ARG  64 -14.523 -10.097   0.634
  490   2HD   ARG  64          1HD       ARG  64 -15.295 -11.372   1.575
  491    HE   ARG  64           HE       ARG  64 -17.180 -11.156  -0.089
  492   1HH1  ARG  64          1HH1      ARG  64 -13.893 -10.282  -0.949
  493   2HH1  ARG  64          2HH1      ARG  64 -14.089 -10.691  -2.627
  494   1HH2  ARG  64          1HH2      ARG  64 -17.429 -11.708  -2.280
  495   2HH2  ARG  64          2HH2      ARG  64 -16.098 -11.512  -3.376
  496    H    CYS  65           H        CYS  65 -14.826  -5.802   3.439
  497    HA   CYS  65           HA       CYS  65 -12.859  -5.877   5.629
  498   1HB   CYS  65          2HB       CYS  65 -12.048  -4.596   3.596
  499   2HB   CYS  65          1HB       CYS  65 -13.350  -3.451   3.896
  500    HG   CYS  65           HG       CYS  65 -10.604  -4.054   5.833
  501    H    GLU  66           H        GLU  66 -13.253  -4.318   7.347
  502    HA   GLU  66           HA       GLU  66 -15.904  -4.217   8.240
  503   1HB   GLU  66          2HB       GLU  66 -13.573  -2.467   9.038
  504   2HB   GLU  66          1HB       GLU  66 -15.084  -2.601   9.924
  505   1HG   GLU  66          2HG       GLU  66 -13.096  -4.813   9.459
  506   2HG   GLU  66          1HG       GLU  66 -13.327  -3.916  10.957
  507    H    ASN  67           H        ASN  67 -13.902  -1.684   6.756
  508    HA   ASN  67           HA       ASN  67 -16.362  -0.146   6.246
  509   1HB   ASN  67          2HB       ASN  67 -15.001   0.804   8.125
  510   2HB   ASN  67          1HB       ASN  67 -13.672   1.028   6.992
  511   1HD2  ASN  67          1HD2      ASN  67 -16.827   2.103   7.965
  512   2HD2  ASN  67          2HD2      ASN  67 -16.820   3.584   7.063
  513    H    LEU  68           H        LEU  68 -16.582   0.651   4.196
  514    HA   LEU  68           HA       LEU  68 -14.765  -0.380   2.229
  515   1HB   LEU  68          2HB       LEU  68 -17.255   1.289   2.007
  516   2HB   LEU  68          1HB       LEU  68 -16.296   0.830   0.614
  517    HG   LEU  68           HG       LEU  68 -17.836  -0.984   2.465
  518   1HD1  LEU  68          1HD1      LEU  68 -18.982  -1.621   0.407
  519   2HD1  LEU  68          2HD1      LEU  68 -17.982  -0.491  -0.507
  520   3HD1  LEU  68          3HD1      LEU  68 -19.119   0.112   0.700
  521   1HD2  LEU  68          1HD2      LEU  68 -16.967  -2.857   1.149
  522   2HD2  LEU  68          2HD2      LEU  68 -15.673  -2.015   2.001
  523   3HD2  LEU  68          3HD2      LEU  68 -15.908  -1.752   0.273
  524    H    GLY  69           H        GLY  69 -15.077   2.613   3.894
  525   1HA   GLY  69          2HA       GLY  69 -13.762   4.341   2.106
  526   2HA   GLY  69          1HA       GLY  69 -13.705   4.462   3.862
  527    H    LEU  70           H        LEU  70 -12.498   2.092   4.516
  528    HA   LEU  70           HA       LEU  70  -9.759   2.424   4.096
  529   1HB   LEU  70          2HB       LEU  70 -11.441   0.050   4.864
  530   2HB   LEU  70          1HB       LEU  70  -9.699  -0.072   4.734
  531    HG   LEU  70           HG       LEU  70 -10.909   2.014   6.508
  532   1HD1  LEU  70          1HD1      LEU  70 -10.853   0.411   8.364
  533   2HD1  LEU  70          2HD1      LEU  70 -10.463  -0.884   7.232
  534   3HD1  LEU  70          3HD1      LEU  70 -12.023  -0.066   7.135
  535   1HD2  LEU  70          1HD2      LEU  70  -8.525   2.088   6.073
  536   2HD2  LEU  70          2HD2      LEU  70  -8.363   0.404   6.572
  537   3HD2  LEU  70          3HD2      LEU  70  -8.831   1.633   7.749
  538    H    ALA  71           H        ALA  71 -12.069   0.263   2.531
  539    HA   ALA  71           HA       ALA  71 -10.259  -1.021   0.815
  540   1HB   ALA  71          1HB       ALA  71 -13.220  -0.598   0.461
  541   2HB   ALA  71          2HB       ALA  71 -12.465  -1.904   1.374
  542   3HB   ALA  71          3HB       ALA  71 -12.230  -1.800  -0.371
  543    H    ALA  72           H        ALA  72 -11.858   2.055   0.591
  544    HA   ALA  72           HA       ALA  72 -11.831   2.412  -2.186
  545   1HB   ALA  72          1HB       ALA  72 -12.089   4.772  -1.735
  546   2HB   ALA  72          2HB       ALA  72 -11.560   4.540  -0.069
  547   3HB   ALA  72          3HB       ALA  72 -13.083   3.838  -0.616
  548    H    MET  73           H        MET  73  -9.423   3.459   0.248
  549    HA   MET  73           HA       MET  73  -7.682   4.442  -1.791
  550   1HB   MET  73          2HB       MET  73  -6.020   4.681   0.083
  551   2HB   MET  73          1HB       MET  73  -7.523   5.563   0.274
  552   1HG   MET  73          2HG       MET  73  -7.173   4.718   2.372
  553   2HG   MET  73          1HG       MET  73  -8.263   3.527   1.671
  554   1HE   MET  73          1HE       MET  73  -5.868   1.491   4.054
  555   2HE   MET  73          2HE       MET  73  -7.534   1.978   3.736
  556   3HE   MET  73          3HE       MET  73  -6.354   3.171   4.280
  557    H    VAL  74           H        VAL  74  -8.014   1.402  -0.102
  558    HA   VAL  74           HA       VAL  74  -5.573   0.255  -0.996
  559    HB   VAL  74           HB       VAL  74  -8.177  -1.112  -0.267
  560   1HG1  VAL  74          1HG1      VAL  74  -6.796  -2.577  -1.624
  561   2HG1  VAL  74          2HG1      VAL  74  -6.814  -3.130   0.050
  562   3HG1  VAL  74          3HG1      VAL  74  -5.408  -2.270  -0.581
  563   1HG2  VAL  74          1HG2      VAL  74  -5.690  -0.600   1.361
  564   2HG2  VAL  74          2HG2      VAL  74  -7.083  -1.549   1.884
  565   3HG2  VAL  74          3HG2      VAL  74  -7.259   0.178   1.573
  566    H    ASP  75           H        ASP  75  -8.797   0.502  -2.354
  567    HA   ASP  75           HA       ASP  75  -8.552  -1.260  -4.513
  568   1HB   ASP  75          2HB       ASP  75 -10.667  -0.219  -3.701
  569   2HB   ASP  75          1HB       ASP  75 -10.152   1.306  -4.409
  570    H    LYS  76           H        LYS  76  -7.660   2.136  -4.195
  571    HA   LYS  76           HA       LYS  76  -6.923   2.557  -6.890
  572   1HB   LYS  76          2HB       LYS  76  -6.023   3.909  -4.342
  573   2HB   LYS  76          1HB       LYS  76  -5.571   4.463  -5.950
  574   1HG   LYS  76          2HG       LYS  76  -7.912   4.834  -6.498
  575   2HG   LYS  76          1HG       LYS  76  -8.389   4.243  -4.906
  576   1HD   LYS  76          2HD       LYS  76  -7.302   6.092  -3.827
  577   2HD   LYS  76          1HD       LYS  76  -6.596   6.629  -5.355
  578   1HE   LYS  76          2HE       LYS  76  -8.790   7.135  -6.231
  579   2HE   LYS  76          1HE       LYS  76  -9.553   6.484  -4.782
  580   1HZ   LYS  76          1HZ       LYS  76  -9.359   8.959  -4.895
  581   2HZ   LYS  76          2HZ       LYS  76  -7.681   8.782  -4.713
  582   3HZ   LYS  76          3HZ       LYS  76  -8.730   8.249  -3.490
  583    H    ILE  77           H        ILE  77  -5.210   1.277  -4.107
  584    HA   ILE  77           HA       ILE  77  -2.651   1.090  -5.319
  585    HB   ILE  77           HB       ILE  77  -3.837  -0.582  -3.092
  586   1HG1  ILE  77          2HG1      ILE  77  -2.089   1.890  -2.969
  587   2HG1  ILE  77          1HG1      ILE  77  -3.814   1.837  -2.604
  588   1HG2  ILE  77          1HG2      ILE  77  -0.955  -0.188  -3.899
  589   2HG2  ILE  77          2HG2      ILE  77  -1.901  -1.659  -4.114
  590   3HG2  ILE  77          3HG2      ILE  77  -1.518  -1.088  -2.490
  591   1HD1  ILE  77          1HD1      ILE  77  -1.650   0.375  -1.104
  592   2HD1  ILE  77          2HD1      ILE  77  -3.373   0.361  -0.725
  593   3HD1  ILE  77          3HD1      ILE  77  -2.453   1.857  -0.585
  594    H    VAL  78           H        VAL  78  -5.337  -1.193  -4.940
  595    HA   VAL  78           HA       VAL  78  -4.189  -3.408  -6.194
  596    HB   VAL  78           HB       VAL  78  -7.110  -2.620  -6.172
  597   1HG1  VAL  78          1HG1      VAL  78  -7.539  -5.017  -6.454
  598   2HG1  VAL  78          2HG1      VAL  78  -5.805  -5.300  -6.613
  599   3HG1  VAL  78          3HG1      VAL  78  -6.655  -4.337  -7.821
  600   1HG2  VAL  78          1HG2      VAL  78  -7.279  -4.089  -4.215
  601   2HG2  VAL  78          2HG2      VAL  78  -6.199  -2.727  -3.920
  602   3HG2  VAL  78          3HG2      VAL  78  -5.530  -4.326  -4.247
  603    H    ALA  79           H        ALA  79  -6.156  -0.784  -7.572
  604    HA   ALA  79           HA       ALA  79  -6.252  -1.715 -10.205
  605   1HB   ALA  79          1HB       ALA  79  -6.794   0.563 -10.830
  606   2HB   ALA  79          2HB       ALA  79  -6.185   1.154  -9.285
  607   3HB   ALA  79          3HB       ALA  79  -7.619   0.129  -9.332
  608    H    HIS  80           H        HIS  80  -3.824   0.263  -8.563
  609    HA   HIS  80           HA       HIS  80  -2.253   0.795 -10.867
  610   1HB   HIS  80          2HB       HIS  80  -2.226   1.918  -8.504
  611   2HB   HIS  80          1HB       HIS  80  -1.092   0.635  -8.101
  612    HD1  HIS  80           1HD      HIS  80   1.279   0.753  -9.204
  613    HD2  HIS  80           2HD      HIS  80  -1.246   3.910 -10.172
  614    HE1  HIS  80           1HE      HIS  80   2.750   2.500 -10.246
  615    HE2  HIS  80           2HE      HIS  80   1.242   4.493 -10.566
  616    H    ASN  81           H        ASN  81  -2.258  -1.744  -8.427
  617    HA   ASN  81           HA       ASN  81   0.125  -3.023  -9.309
  618   1HB   ASN  81          2HB       ASN  81  -0.888  -3.333  -7.040
  619   2HB   ASN  81          1HB       ASN  81  -2.179  -4.264  -7.792
  620   1HD2  ASN  81          1HD2      ASN  81  -1.711  -6.137  -6.732
  621   2HD2  ASN  81          2HD2      ASN  81  -0.294  -7.075  -7.039
  622    H    LEU  82           H        LEU  82  -3.329  -3.583  -9.964
  623    HA   LEU  82           HA       LEU  82  -3.099  -5.885 -11.488
  624   1HB   LEU  82          2HB       LEU  82  -5.043  -3.594 -11.613
  625   2HB   LEU  82          1HB       LEU  82  -5.220  -5.040 -12.573
  626    HG   LEU  82           HG       LEU  82  -5.228  -4.917  -9.564
  627   1HD1  LEU  82          1HD1      LEU  82  -7.589  -5.571  -9.800
  628   2HD1  LEU  82          2HD1      LEU  82  -7.445  -5.400 -11.550
  629   3HD1  LEU  82          3HD1      LEU  82  -7.254  -3.990 -10.506
  630   1HD2  LEU  82          1HD2      LEU  82  -5.814  -7.275  -9.642
  631   2HD2  LEU  82          2HD2      LEU  82  -4.254  -7.004 -10.418
  632   3HD2  LEU  82          3HD2      LEU  82  -5.694  -7.264 -11.401
  633    H    SER  83           H        SER  83  -2.599  -2.535 -12.370
  634    HA   SER  83           HA       SER  83  -2.521  -2.926 -15.169
  635   1HB   SER  83          2HB       SER  83  -1.171  -0.773 -13.514
  636   2HB   SER  83          1HB       SER  83  -1.508  -0.700 -15.245
  637    HG   SER  83           HG       SER  83  -3.384  -0.758 -13.105
  638    H    LYS  84           H        LYS  84   0.099  -2.749 -12.729
  639    HA   LYS  84           HA       LYS  84   2.145  -3.251 -14.642
  640   1HB   LYS  84          2HB       LYS  84   3.576  -3.738 -12.640
  641   2HB   LYS  84          1HB       LYS  84   2.794  -2.165 -12.624
  642   1HG   LYS  84          2HG       LYS  84   1.112  -2.999 -11.081
  643   2HG   LYS  84          1HG       LYS  84   1.850  -4.600 -11.127
  644   1HD   LYS  84          2HD       LYS  84   3.371  -2.153 -10.266
  645   2HD   LYS  84          1HD       LYS  84   2.419  -3.115  -9.133
  646   1HE   LYS  84          2HE       LYS  84   4.683  -4.133 -10.844
  647   2HE   LYS  84          1HE       LYS  84   4.788  -3.747  -9.127
  648   1HZ   LYS  84          1HZ       LYS  84   3.198  -5.909 -10.396
  649   2HZ   LYS  84          2HZ       LYS  84   3.015  -5.451  -8.777
  650   3HZ   LYS  84          3HZ       LYS  84   4.496  -6.076  -9.316
  651    H    VAL  85           H        VAL  85  -0.032  -5.295 -12.903
  652    HA   VAL  85           HA       VAL  85   1.458  -7.717 -13.308
  653    HB   VAL  85           HB       VAL  85  -1.457  -7.279 -12.614
  654   1HG1  VAL  85          1HG1      VAL  85  -1.256  -9.412 -13.744
  655   2HG1  VAL  85          2HG1      VAL  85  -1.483  -9.686 -12.017
  656   3HG1  VAL  85          3HG1      VAL  85   0.121  -9.854 -12.732
  657   1HG2  VAL  85          1HG2      VAL  85   0.916  -8.125 -10.945
  658   2HG2  VAL  85          2HG2      VAL  85  -0.751  -8.059 -10.377
  659   3HG2  VAL  85          3HG2      VAL  85   0.073  -6.577 -10.863
  660    H    ARG  86           H        ARG  86  -1.204  -6.062 -14.960
  661    HA   ARG  86           HA       ARG  86  -1.648  -8.143 -16.850
  662   1HB   ARG  86          2HB       ARG  86  -3.228  -6.719 -17.852
  663   2HB   ARG  86          1HB       ARG  86  -3.280  -6.320 -16.148
  664   1HG   ARG  86          2HG       ARG  86  -1.931  -4.336 -16.558
  665   2HG   ARG  86          1HG       ARG  86  -1.848  -4.744 -18.273
  666   1HD   ARG  86          2HD       ARG  86  -4.331  -4.084 -16.694
  667   2HD   ARG  86          1HD       ARG  86  -3.554  -3.066 -17.905
  668    HE   ARG  86           HE       ARG  86  -4.459  -5.690 -18.791
  669   1HH1  ARG  86          1HH1      ARG  86  -5.055  -2.241 -18.643
  670   2HH1  ARG  86          2HH1      ARG  86  -6.245  -2.273 -19.919
  671   1HH2  ARG  86          1HH2      ARG  86  -6.046  -5.737 -20.417
  672   2HH2  ARG  86          2HH2      ARG  86  -6.808  -4.256 -20.918
  673    H    LEU  87           H        LEU  87   0.603  -5.557 -16.640
  674    HA   LEU  87           HA       LEU  87   1.282  -5.212 -19.331
  675   1HB   LEU  87          2HB       LEU  87   2.937  -4.985 -16.827
  676   2HB   LEU  87          1HB       LEU  87   3.534  -4.546 -18.410
  677    HG   LEU  87           HG       LEU  87   1.201  -3.264 -16.996
  678   1HD1  LEU  87          1HD1      LEU  87   3.986  -2.250 -17.550
  679   2HD1  LEU  87          2HD1      LEU  87   3.321  -2.686 -15.974
  680   3HD1  LEU  87          3HD1      LEU  87   2.666  -1.308 -16.857
  681   1HD2  LEU  87          1HD2      LEU  87   2.502  -2.580 -19.632
  682   2HD2  LEU  87          2HD2      LEU  87   1.243  -1.642 -18.829
  683   3HD2  LEU  87          3HD2      LEU  87   0.893  -3.269 -19.414
  684    H    GLU  88           H        GLU  88   2.486  -7.481 -16.913
  685    HA   GLU  88           HA       GLU  88   3.467  -9.507 -17.049
  686   1HB   GLU  88          2HB       GLU  88   2.685  -9.303 -19.946
  687   2HB   GLU  88          1HB       GLU  88   3.463 -10.719 -19.251
  688   1HG   GLU  88          2HG       GLU  88   1.582 -10.895 -17.647
  689   2HG   GLU  88          1HG       GLU  88   0.783  -9.574 -18.503
  690    H    HIS  89           H        HIS  89   4.546  -7.225 -19.513
  691    HA   HIS  89           HA       HIS  89   7.031  -8.461 -20.038
  692   1HB   HIS  89          2HB       HIS  89   5.935  -6.762 -21.503
  693   2HB   HIS  89          1HB       HIS  89   6.323  -5.529 -20.311
  694    HD1  HIS  89           1HD      HIS  89   7.731  -7.403 -23.156
  695    HD2  HIS  89           2HD      HIS  89   9.134  -4.957 -20.097
  696    HE1  HIS  89           1HE      HIS  89  10.043  -6.709 -23.849
  697    HE2  HIS  89           2HE      HIS  89  10.798  -5.083 -22.074
  698    H    HIS  90           H        HIS  90   7.901  -9.019 -18.047
  699    HA   HIS  90           HA       HIS  90   9.817  -7.300 -16.965
  700   1HB   HIS  90          2HB       HIS  90   8.909  -7.014 -14.658
  701   2HB   HIS  90          1HB       HIS  90   8.014  -6.102 -15.865
  702    HD1  HIS  90           1HD      HIS  90   5.770  -5.993 -14.780
  703    HD2  HIS  90           2HD      HIS  90   7.272  -9.870 -14.904
  704    HE1  HIS  90           1HE      HIS  90   3.887  -7.483 -14.018
  705    HE2  HIS  90           2HE      HIS  90   4.772  -9.832 -14.257
  706    H    HIS  91           H        HIS  91  10.739  -8.304 -14.870
  707    HA   HIS  91           HA       HIS  91  10.169 -11.186 -14.806
  708   1HB   HIS  91          2HB       HIS  91  12.777  -9.829 -15.205
  709   2HB   HIS  91          1HB       HIS  91  12.765 -11.232 -14.138
  710    HD1  HIS  91           1HD      HIS  91  12.084 -10.256 -17.719
  711    HD2  HIS  91           2HD      HIS  91  12.472 -13.680 -15.390
  712    HE1  HIS  91           1HE      HIS  91  12.174 -12.172 -19.341
  713    HE2  HIS  91           2HE      HIS  91  12.159 -14.241 -17.898
  714    H    HIS  92           H        HIS  92   9.538 -11.833 -12.914
  715    HA   HIS  92           HA       HIS  92   9.416 -10.133 -10.671
  716   1HB   HIS  92          2HB       HIS  92   8.468 -11.998  -9.465
  717   2HB   HIS  92          1HB       HIS  92   7.813 -12.000 -11.095
  718    HD1  HIS  92           1HD      HIS  92   9.141 -14.232  -8.639
  719    HD2  HIS  92           2HD      HIS  92   9.349 -13.975 -12.792
  720    HE1  HIS  92           1HE      HIS  92   9.817 -16.518  -9.433
  721    HE2  HIS  92           2HE      HIS  92  10.010 -16.327 -11.940
  722    H    HIS  93           H        HIS  93  10.686  -9.847  -8.958
  723    HA   HIS  93           HA       HIS  93  13.205 -11.343  -8.836
  724   1HB   HIS  93          2HB       HIS  93  12.342  -8.839  -7.362
  725   2HB   HIS  93          1HB       HIS  93  13.925  -9.597  -7.229
  726    HD1  HIS  93           1HD      HIS  93  15.599  -9.202  -9.148
  727    HD2  HIS  93           2HD      HIS  93  11.883  -7.430  -9.772
  728    HE1  HIS  93           1HE      HIS  93  15.903  -7.648 -11.105
  729    HE2  HIS  93           2HE      HIS  93  13.676  -6.498 -11.392
  730    H    HIS  94           H        HIS  94  10.145 -11.146  -7.512
  731    HA   HIS  94           HA       HIS  94  10.800 -13.271  -5.628
  732   1HB   HIS  94          2HB       HIS  94   9.764 -10.625  -4.889
  733   2HB   HIS  94          1HB       HIS  94   8.751 -11.947  -4.324
  734    HD1  HIS  94           1HD      HIS  94   9.433 -12.992  -2.174
  735    HD2  HIS  94           2HD      HIS  94  12.573 -10.942  -3.985
  736    HE1  HIS  94           1HE      HIS  94  11.334 -13.064  -0.527
  737    HE2  HIS  94           2HE      HIS  94  13.275 -11.982  -1.718
  Start of MODEL    3
    1   1H    MET   1          1HT       MET   1  -0.161  15.482   6.643
    2   2H    MET   1          2HT       MET   1  -0.180  14.090   5.687
    3   3H    MET   1          3HT       MET   1  -0.882  15.524   5.106
    4    HA   MET   1           HA       MET   1   1.262  15.120   4.069
    5   1HB   MET   1          2HB       MET   1   0.370  17.477   5.176
    6   2HB   MET   1          1HB       MET   1   1.984  17.348   5.858
    7   1HG   MET   1          2HG       MET   1   1.288  17.313   2.928
    8   2HG   MET   1          1HG       MET   1   1.990  18.661   3.816
    9   1HE   MET   1          1HE       MET   1   3.921  18.858   2.011
   10   2HE   MET   1          2HE       MET   1   3.222  17.512   1.110
   11   3HE   MET   1          3HE       MET   1   4.939  17.506   1.511
   12    H    TYR   2           H        TYR   2   3.559  14.839   4.327
   13    HA   TYR   2           HA       TYR   2   4.425  14.070   6.997
   14   1HB   TYR   2          2HB       TYR   2   5.258  11.865   6.104
   15   2HB   TYR   2          1HB       TYR   2   3.511  11.999   6.241
   16    HD1  TYR   2           2HD      TYR   2   6.339  11.902   3.883
   17    HD2  TYR   2           1HD      TYR   2   2.106  11.914   4.291
   18    HE1  TYR   2           2HE      TYR   2   6.114  11.255   1.522
   19    HE2  TYR   2           1HE      TYR   2   1.873  11.262   1.935
   20    HH   TYR   2           HH       TYR   2   4.524  10.214   0.045
   21    H    THR   3           H        THR   3   6.587  14.235   7.331
   22    HA   THR   3           HA       THR   3   8.229  15.215   5.114
   23    HB   THR   3           HB       THR   3   9.849  15.832   6.923
   24    HG1  THR   3           1HG      THR   3   8.384  15.863   9.057
   25   1HG2  THR   3          1HG2      THR   3   7.061  16.960   7.213
   26   2HG2  THR   3          2HG2      THR   3   8.296  17.509   6.080
   27   3HG2  THR   3          3HG2      THR   3   8.534  17.717   7.816
   28    H    ALA   4           H        ALA   4  10.698  14.515   5.656
   29    HA   ALA   4           HA       ALA   4  10.938  11.772   5.130
   30   1HB   ALA   4          1HB       ALA   4  13.320  12.063   5.503
   31   2HB   ALA   4          2HB       ALA   4  13.026  13.600   6.316
   32   3HB   ALA   4          3HB       ALA   4  12.678  13.432   4.595
   33    H    GLU   5           H        GLU   5  10.802  13.557   8.116
   34    HA   GLU   5           HA       GLU   5  11.768  11.585   9.874
   35   1HB   GLU   5          2HB       GLU   5   9.733  13.763  10.378
   36   2HB   GLU   5          1HB       GLU   5  10.596  12.864  11.614
   37   1HG   GLU   5          2HG       GLU   5  12.708  13.778  10.798
   38   2HG   GLU   5          1HG       GLU   5  11.827  14.696   9.580
   39    H    GLN   6           H        GLN   6   8.480  12.402   8.818
   40    HA   GLN   6           HA       GLN   6   7.215  10.331  10.300
   41   1HB   GLN   6          2HB       GLN   6   6.184  11.753   7.842
   42   2HB   GLN   6          1HB       GLN   6   5.227  10.869   9.022
   43   1HG   GLN   6          2HG       GLN   6   5.936  12.515  10.741
   44   2HG   GLN   6          1HG       GLN   6   6.729  13.435   9.465
   45   1HE2  GLN   6          1HE2      GLN   6   3.689  11.710   9.153
   46   2HE2  GLN   6          2HE2      GLN   6   2.710  13.121   8.924
   47    H    LYS   7           H        LYS   7   8.498  10.590   7.032
   48    HA   LYS   7           HA       LYS   7   7.474   8.195   5.996
   49   1HB   LYS   7          2HB       LYS   7   9.943   9.777   5.324
   50   2HB   LYS   7          1HB       LYS   7   9.506   8.312   4.453
   51   1HG   LYS   7          2HG       LYS   7   7.311   9.376   3.931
   52   2HG   LYS   7          1HG       LYS   7   7.931  10.866   4.645
   53   1HD   LYS   7          2HD       LYS   7   8.159  10.870   2.211
   54   2HD   LYS   7          1HD       LYS   7   9.735  10.910   3.004
   55   1HE   LYS   7          2HE       LYS   7  10.044   8.551   2.599
   56   2HE   LYS   7          1HE       LYS   7   8.413   8.414   1.943
   57   1HZ   LYS   7          1HZ       LYS   7  10.297   8.566   0.287
   58   2HZ   LYS   7          2HZ       LYS   7  10.450  10.195   0.744
   59   3HZ   LYS   7          3HZ       LYS   7   9.001   9.640   0.054
   60    H    ALA   8           H        ALA   8  10.288   8.818   8.010
   61    HA   ALA   8           HA       ALA   8  11.535   6.316   7.829
   62   1HB   ALA   8          1HB       ALA   8  11.348   8.119  10.240
   63   2HB   ALA   8          2HB       ALA   8  12.545   8.244   8.952
   64   3HB   ALA   8          3HB       ALA   8  12.522   6.826  10.001
   65    H    ARG   9           H        ARG   9   8.867   7.418   9.871
   66    HA   ARG   9           HA       ARG   9   8.575   5.000  11.333
   67   1HB   ARG   9          2HB       ARG   9   6.495   7.107  10.730
   68   2HB   ARG   9          1HB       ARG   9   6.384   5.881  11.984
   69   1HG   ARG   9          2HG       ARG   9   8.438   8.079  11.869
   70   2HG   ARG   9          1HG       ARG   9   6.990   8.075  12.875
   71   1HD   ARG   9          2HD       ARG   9   7.803   6.070  14.023
   72   2HD   ARG   9          1HD       ARG   9   9.257   6.092  13.025
   73    HE   ARG   9           HE       ARG   9   9.084   8.581  14.240
   74   1HH1  ARG   9          1HH1      ARG   9   9.393   5.245  15.287
   75   2HH1  ARG   9          2HH1      ARG   9  10.314   5.651  16.705
   76   1HH2  ARG   9          1HH2      ARG   9  10.252   9.111  16.104
   77   2HH2  ARG   9          2HH2      ARG   9  10.777   7.857  17.191
   78    H    ILE  10           H        ILE  10   7.227   6.224   8.332
   79    HA   ILE  10           HA       ILE  10   5.357   4.170   7.854
   80    HB   ILE  10           HB       ILE  10   6.868   5.889   5.873
   81   1HG1  ILE  10          2HG1      ILE  10   4.097   6.191   7.055
   82   2HG1  ILE  10          1HG1      ILE  10   5.501   7.154   7.488
   83   1HG2  ILE  10          1HG2      ILE  10   5.083   5.329   4.287
   84   2HG2  ILE  10          2HG2      ILE  10   4.389   4.222   5.472
   85   3HG2  ILE  10          3HG2      ILE  10   5.982   3.896   4.792
   86   1HD1  ILE  10          1HD1      ILE  10   4.031   8.358   5.973
   87   2HD1  ILE  10          2HD1      ILE  10   4.202   7.072   4.779
   88   3HD1  ILE  10          3HD1      ILE  10   5.600   8.049   5.227
   89    H    LYS  11           H        LYS  11   8.753   4.556   6.932
   90    HA   LYS  11           HA       LYS  11   9.052   2.265   5.375
   91   1HB   LYS  11          2HB       LYS  11  10.715   4.116   5.625
   92   2HB   LYS  11          1HB       LYS  11  11.123   3.478   7.211
   93   1HG   LYS  11          2HG       LYS  11  12.765   2.761   5.608
   94   2HG   LYS  11          1HG       LYS  11  11.828   1.362   6.137
   95   1HD   LYS  11          2HD       LYS  11  10.473   1.501   4.106
   96   2HD   LYS  11          1HD       LYS  11  11.394   2.912   3.584
   97   1HE   LYS  11          2HE       LYS  11  13.432   1.547   3.539
   98   2HE   LYS  11          1HE       LYS  11  12.489   0.138   4.024
   99   1HZ   LYS  11          1HZ       LYS  11  12.896   0.233   1.620
  100   2HZ   LYS  11          2HZ       LYS  11  12.049   1.701   1.534
  101   3HZ   LYS  11          3HZ       LYS  11  11.238   0.282   1.989
  102    H    TRP  12           H        TRP  12   9.242   2.682   8.875
  103    HA   TRP  12           HA       TRP  12  10.027  -0.010   9.408
  104   1HB   TRP  12          2HB       TRP  12   8.920   2.204  11.115
  105   2HB   TRP  12          1HB       TRP  12   9.192   0.593  11.766
  106    HD1  TRP  12           HD       TRP  12  11.450   2.843   9.531
  107    HE1  TRP  12           1HE      TRP  12  13.765   2.992  10.646
  108    HE3  TRP  12           3HE      TRP  12  10.502   0.070  13.723
  109    HZ2  TRP  12           2HZ      TRP  12  15.017   2.050  12.990
  110    HZ3  TRP  12           3HZ      TRP  12  12.318  -0.256  15.349
  111    HH2  TRP  12           HH       TRP  12  14.527   0.715  14.989
  112    H    ALA  13           H        ALA  13   6.992   1.589   8.873
  113    HA   ALA  13           HA       ALA  13   5.363  -0.502   9.974
  114   1HB   ALA  13          1HB       ALA  13   4.589   1.810   9.896
  115   2HB   ALA  13          2HB       ALA  13   3.495   0.734   9.028
  116   3HB   ALA  13          3HB       ALA  13   4.614   1.763   8.133
  117    H    CYS  14           H        CYS  14   7.107  -0.167   7.097
  118    HA   CYS  14           HA       CYS  14   5.443  -1.680   5.363
  119   1HB   CYS  14          2HB       CYS  14   8.448  -1.336   5.326
  120   2HB   CYS  14          1HB       CYS  14   7.475  -1.974   4.007
  121    HG   CYS  14           HG       CYS  14   8.207   0.552   3.251
  122    H    ARG  15           H        ARG  15   7.663  -2.500   7.902
  123    HA   ARG  15           HA       ARG  15   7.891  -5.265   7.076
  124   1HB   ARG  15          2HB       ARG  15   9.822  -4.221   8.115
  125   2HB   ARG  15          1HB       ARG  15   8.881  -3.833   9.547
  126   1HG   ARG  15          2HG       ARG  15   8.605  -6.239   9.991
  127   2HG   ARG  15          1HG       ARG  15   9.610  -6.592   8.586
  128   1HD   ARG  15          2HD       ARG  15  10.497  -4.958  10.957
  129   2HD   ARG  15          1HD       ARG  15  10.836  -6.675  10.744
  130    HE   ARG  15           HE       ARG  15  12.053  -6.016   8.678
  131   1HH1  ARG  15          1HH1      ARG  15  11.584  -3.693  11.268
  132   2HH1  ARG  15          2HH1      ARG  15  12.997  -2.758  10.850
  133   1HH2  ARG  15          1HH2      ARG  15  13.898  -4.792   8.139
  134   2HH2  ARG  15          2HH2      ARG  15  14.294  -3.369   9.053
  135    H    ARG  16           H        ARG  16   5.627  -5.762   7.111
  136    HA   ARG  16           HA       ARG  16   4.665  -6.321   9.837
  137   1HB   ARG  16          2HB       ARG  16   3.258  -5.510   7.366
  138   2HB   ARG  16          1HB       ARG  16   2.467  -6.761   8.312
  139   1HG   ARG  16          2HG       ARG  16   1.769  -4.395   8.797
  140   2HG   ARG  16          1HG       ARG  16   2.265  -5.355  10.192
  141   1HD   ARG  16          2HD       ARG  16   4.390  -4.280  10.267
  142   2HD   ARG  16          1HD       ARG  16   4.104  -3.480   8.723
  143    HE   ARG  16           HE       ARG  16   2.392  -2.151   9.842
  144   1HH1  ARG  16          1HH1      ARG  16   4.594  -3.905  11.942
  145   2HH1  ARG  16          2HH1      ARG  16   4.500  -2.732  13.222
  146   1HH2  ARG  16          1HH2      ARG  16   2.271  -0.628  11.498
  147   2HH2  ARG  16          2HH2      ARG  16   3.154  -0.869  12.974
  148    H    GLY  17           H        GLY  17   3.659  -7.794   6.761
  149   1HA   GLY  17          2HA       GLY  17   4.933 -10.297   7.698
  150   2HA   GLY  17          1HA       GLY  17   3.309 -10.275   7.030
  151    H    MET  18           H        MET  18   4.656  -8.039   5.206
  152    HA   MET  18           HA       MET  18   5.915  -9.906   3.325
  153   1HB   MET  18          2HB       MET  18   3.439  -9.716   2.911
  154   2HB   MET  18          1HB       MET  18   3.688  -8.012   2.563
  155   1HG   MET  18          2HG       MET  18   3.559  -9.146   0.495
  156   2HG   MET  18          1HG       MET  18   5.246  -8.699   0.735
  157   1HE   MET  18          1HE       MET  18   5.179 -12.168  -1.232
  158   2HE   MET  18          2HE       MET  18   5.642 -10.470  -1.335
  159   3HE   MET  18          3HE       MET  18   3.936 -10.916  -1.302
  160    H    LEU  19           H        LEU  19   7.925  -8.936   3.382
  161    HA   LEU  19           HA       LEU  19   8.417  -6.156   3.434
  162   1HB   LEU  19          2HB       LEU  19  10.121  -8.462   2.505
  163   2HB   LEU  19          1HB       LEU  19  10.698  -6.814   2.610
  164    HG   LEU  19           HG       LEU  19   9.743  -8.503   4.921
  165   1HD1  LEU  19          1HD1      LEU  19  12.497  -7.536   4.159
  166   2HD1  LEU  19          2HD1      LEU  19  11.907  -9.192   4.022
  167   3HD1  LEU  19          3HD1      LEU  19  12.080  -8.447   5.611
  168   1HD2  LEU  19          1HD2      LEU  19   9.219  -6.136   5.250
  169   2HD2  LEU  19          2HD2      LEU  19  10.891  -5.710   4.886
  170   3HD2  LEU  19          3HD2      LEU  19  10.516  -6.657   6.325
  171    H    GLU  20           H        GLU  20   7.789  -8.380   0.857
  172    HA   GLU  20           HA       GLU  20   8.794  -6.872  -1.286
  173   1HB   GLU  20          2HB       GLU  20   6.640  -8.980  -1.141
  174   2HB   GLU  20          1HB       GLU  20   7.207  -8.288  -2.657
  175   1HG   GLU  20          2HG       GLU  20   9.376  -9.166  -2.369
  176   2HG   GLU  20          1HG       GLU  20   9.078  -9.553  -0.679
  177    H    LEU  21           H        LEU  21   5.998  -6.404   0.659
  178    HA   LEU  21           HA       LEU  21   4.476  -4.893  -1.232
  179   1HB   LEU  21          2HB       LEU  21   4.376  -5.030   1.778
  180   2HB   LEU  21          1HB       LEU  21   3.265  -4.071   0.816
  181    HG   LEU  21           HG       LEU  21   3.545  -7.081   0.717
  182   1HD1  LEU  21          1HD1      LEU  21   2.485  -6.284   2.761
  183   2HD1  LEU  21          2HD1      LEU  21   1.313  -7.079   1.712
  184   3HD1  LEU  21          3HD1      LEU  21   1.354  -5.319   1.812
  185   1HD2  LEU  21          1HD2      LEU  21   2.954  -6.163  -1.461
  186   2HD2  LEU  21          2HD2      LEU  21   1.647  -5.232  -0.729
  187   3HD2  LEU  21          3HD2      LEU  21   1.576  -6.995  -0.741
  188    H    ASP  22           H        ASP  22   7.072  -4.172   0.977
  189    HA   ASP  22           HA       ASP  22   6.769  -1.468   1.450
  190   1HB   ASP  22          2HB       ASP  22   8.510  -2.556   2.593
  191   2HB   ASP  22          1HB       ASP  22   9.223  -3.185   1.117
  192    H    VAL  23           H        VAL  23   8.040  -3.043  -1.409
  193    HA   VAL  23           HA       VAL  23   9.036  -0.690  -2.652
  194    HB   VAL  23           HB       VAL  23   8.269  -3.295  -3.973
  195   1HG1  VAL  23          1HG1      VAL  23   8.617  -1.484  -5.556
  196   2HG1  VAL  23          2HG1      VAL  23   9.931  -2.657  -5.660
  197   3HG1  VAL  23          3HG1      VAL  23  10.180  -1.125  -4.824
  198   1HG2  VAL  23          1HG2      VAL  23  10.628  -3.932  -3.689
  199   2HG2  VAL  23          2HG2      VAL  23   9.801  -3.729  -2.144
  200   3HG2  VAL  23          3HG2      VAL  23  10.891  -2.474  -2.730
  201    H    VAL  24           H        VAL  24   5.918  -2.316  -2.684
  202    HA   VAL  24           HA       VAL  24   5.050  -0.603  -4.901
  203    HB   VAL  24           HB       VAL  24   3.137  -2.115  -5.152
  204   1HG1  VAL  24          1HG1      VAL  24   5.125  -2.557  -6.451
  205   2HG1  VAL  24          2HG1      VAL  24   4.383  -4.081  -5.964
  206   3HG1  VAL  24          3HG1      VAL  24   5.819  -3.494  -5.126
  207   1HG2  VAL  24          1HG2      VAL  24   2.911  -2.847  -2.833
  208   2HG2  VAL  24          2HG2      VAL  24   4.431  -3.732  -2.953
  209   3HG2  VAL  24          3HG2      VAL  24   3.043  -4.227  -3.922
  210    H    ILE  25           H        ILE  25   5.011  -0.423  -1.646
  211    HA   ILE  25           HA       ILE  25   2.284   0.673  -1.550
  212    HB   ILE  25           HB       ILE  25   4.129  -0.093   0.717
  213   1HG1  ILE  25          2HG1      ILE  25   3.122  -2.016  -0.394
  214   2HG1  ILE  25          1HG1      ILE  25   2.405  -1.795   1.197
  215   1HG2  ILE  25          1HG2      ILE  25   1.329   1.017   0.855
  216   2HG2  ILE  25          2HG2      ILE  25   2.800   1.876   1.306
  217   3HG2  ILE  25          3HG2      ILE  25   2.292   0.458   2.225
  218   1HD1  ILE  25          1HD1      ILE  25   1.170  -0.974  -1.423
  219   2HD1  ILE  25          2HD1      ILE  25   0.451  -0.763   0.174
  220   3HD1  ILE  25          3HD1      ILE  25   0.734  -2.384  -0.456
  221    H    MET  26           H        MET  26   5.548   1.475  -0.325
  222    HA   MET  26           HA       MET  26   4.792   3.989   0.658
  223   1HB   MET  26          2HB       MET  26   6.823   2.619   1.294
  224   2HB   MET  26          1HB       MET  26   7.591   3.228  -0.163
  225   1HG   MET  26          2HG       MET  26   6.489   5.051   1.951
  226   2HG   MET  26          1HG       MET  26   8.125   4.401   2.021
  227   1HE   MET  26          1HE       MET  26   9.707   5.918  -1.237
  228   2HE   MET  26          2HE       MET  26   8.900   4.359  -1.074
  229   3HE   MET  26          3HE       MET  26   9.991   4.920   0.192
  230    HA   PRO  27           HA       PRO  27   6.789   6.044  -3.253
  231   1HB   PRO  27          2HB       PRO  27   6.666   3.936  -5.311
  232   2HB   PRO  27          1HB       PRO  27   7.987   5.037  -4.910
  233   1HG   PRO  27          2HG       PRO  27   8.114   2.433  -4.313
  234   2HG   PRO  27          1HG       PRO  27   8.801   3.667  -3.242
  235   1HD   PRO  27          2HD       PRO  27   6.213   2.172  -2.994
  236   2HD   PRO  27          1HD       PRO  27   7.404   2.580  -1.740
  237    H    PHE  28           H        PHE  28   4.365   3.547  -3.745
  238    HA   PHE  28           HA       PHE  28   2.875   4.911  -5.745
  239   1HB   PHE  28          2HB       PHE  28   2.129   2.680  -3.844
  240   2HB   PHE  28          1HB       PHE  28   1.065   3.273  -5.112
  241    HD1  PHE  28           1HD      PHE  28   4.728   2.516  -5.121
  242    HD2  PHE  28           2HD      PHE  28   0.874   1.627  -6.688
  243    HE1  PHE  28           1HE      PHE  28   5.743   0.935  -6.707
  244    HE2  PHE  28           2HE      PHE  28   1.882   0.048  -8.280
  245    HZ   PHE  28           HZ       PHE  28   4.318  -0.301  -8.292
  246    H    PHE  29           H        PHE  29   2.776   4.779  -2.249
  247    HA   PHE  29           HA       PHE  29   0.387   6.226  -1.873
  248   1HB   PHE  29          2HB       PHE  29   1.368   4.942  -0.060
  249   2HB   PHE  29          1HB       PHE  29   2.809   5.953  -0.084
  250    HD1  PHE  29           2HD      PHE  29  -0.839   6.706  -0.093
  251    HD2  PHE  29           1HD      PHE  29   2.925   7.207   1.816
  252    HE1  PHE  29           2HE      PHE  29  -1.877   8.220   1.544
  253    HE2  PHE  29           1HE      PHE  29   1.900   8.724   3.455
  254    HZ   PHE  29           HZ       PHE  29  -0.506   9.234   3.320
  255    H    GLU  30           H        GLU  30   3.738   7.267  -2.307
  256    HA   GLU  30           HA       GLU  30   3.387   9.975  -1.696
  257   1HB   GLU  30          2HB       GLU  30   5.202   8.826  -3.824
  258   2HB   GLU  30          1HB       GLU  30   5.375  10.388  -3.034
  259   1HG   GLU  30          2HG       GLU  30   5.476   9.000  -0.870
  260   2HG   GLU  30          1HG       GLU  30   5.845   7.655  -1.942
  261    H    GLU  31           H        GLU  31   2.768   8.172  -4.608
  262    HA   GLU  31           HA       GLU  31   2.000  10.438  -6.193
  263   1HB   GLU  31          2HB       GLU  31   1.362   7.517  -6.630
  264   2HB   GLU  31          1HB       GLU  31   1.240   8.799  -7.826
  265   1HG   GLU  31          2HG       GLU  31   3.685   9.139  -7.642
  266   2HG   GLU  31          1HG       GLU  31   3.755   7.753  -6.552
  267    H    CYS  32           H        CYS  32   0.187   7.811  -4.600
  268    HA   CYS  32           HA       CYS  32  -2.364   8.736  -5.377
  269   1HB   CYS  32          2HB       CYS  32  -1.629   7.058  -2.972
  270   2HB   CYS  32          1HB       CYS  32  -3.235   7.201  -3.678
  271    HG   CYS  32           HG       CYS  32  -0.501   5.628  -4.964
  272    H    PHE  33           H        PHE  33  -0.312   9.555  -2.688
  273    HA   PHE  33           HA       PHE  33  -2.087  10.753  -0.935
  274   1HB   PHE  33          2HB       PHE  33   0.166  10.370  -0.263
  275   2HB   PHE  33          1HB       PHE  33   0.800  11.371  -1.559
  276    HD1  PHE  33           1HD      PHE  33  -1.263  11.512   1.535
  277    HD2  PHE  33           2HD      PHE  33   1.281  13.615  -1.155
  278    HE1  PHE  33           1HE      PHE  33  -1.226  13.431   3.073
  279    HE2  PHE  33           2HE      PHE  33   1.316  15.537   0.379
  280    HZ   PHE  33           HZ       PHE  33   0.062  15.446   2.494
  281    H    ASP  34           H        ASP  34  -0.694  12.024  -3.893
  282    HA   ASP  34           HA       ASP  34  -1.358  14.717  -3.653
  283   1HB   ASP  34          2HB       ASP  34  -0.018  14.097  -5.499
  284   2HB   ASP  34          1HB       ASP  34  -1.167  12.875  -6.032
  285    H    SER  35           H        SER  35  -3.347  11.970  -4.638
  286    HA   SER  35           HA       SER  35  -5.635  13.735  -5.075
  287   1HB   SER  35          2HB       SER  35  -5.433  10.747  -5.486
  288   2HB   SER  35          1HB       SER  35  -6.703  11.817  -6.081
  289    HG   SER  35           HG       SER  35  -4.404  12.812  -6.927
  290    H    LEU  36           H        LEU  36  -4.260  12.184  -2.525
  291    HA   LEU  36           HA       LEU  36  -6.808  11.574  -1.210
  292   1HB   LEU  36          2HB       LEU  36  -3.960  11.100  -0.329
  293   2HB   LEU  36          1HB       LEU  36  -5.372  10.695   0.625
  294    HG   LEU  36           HG       LEU  36  -4.667   9.490  -2.054
  295   1HD1  LEU  36          1HD1      LEU  36  -3.151   8.778  -0.285
  296   2HD1  LEU  36          2HD1      LEU  36  -4.221   7.461  -0.767
  297   3HD1  LEU  36          3HD1      LEU  36  -4.526   8.342   0.731
  298   1HD2  LEU  36          1HD2      LEU  36  -7.077   9.589  -1.694
  299   2HD2  LEU  36          2HD2      LEU  36  -6.883   8.830  -0.115
  300   3HD2  LEU  36          3HD2      LEU  36  -6.493   7.929  -1.581
  301    H    THR  37           H        THR  37  -7.547  12.670   0.541
  302    HA   THR  37           HA       THR  37  -6.363  15.266   1.102
  303    HB   THR  37           HB       THR  37  -8.348  15.465   2.677
  304    HG1  THR  37           1HG      THR  37  -9.106  13.040   1.349
  305   1HG2  THR  37          1HG2      THR  37  -8.378  16.411   0.419
  306   2HG2  THR  37          2HG2      THR  37  -9.965  15.787   0.867
  307   3HG2  THR  37          3HG2      THR  37  -8.932  14.865  -0.226
  308    H    GLU  38           H        GLU  38  -6.212  15.920   3.505
  309    HA   GLU  38           HA       GLU  38  -4.347  14.365   4.856
  310   1HB   GLU  38          2HB       GLU  38  -6.258  16.456   5.888
  311   2HB   GLU  38          1HB       GLU  38  -5.010  15.727   6.888
  312   1HG   GLU  38          2HG       GLU  38  -4.496  17.228   4.333
  313   2HG   GLU  38          1HG       GLU  38  -4.385  17.920   5.949
  314    H    SER  39           H        SER  39  -7.855  14.425   5.186
  315    HA   SER  39           HA       SER  39  -8.163  12.731   7.371
  316   1HB   SER  39          2HB       SER  39  -9.994  12.666   4.982
  317   2HB   SER  39          1HB       SER  39 -10.404  12.562   6.693
  318    HG   SER  39           HG       SER  39 -10.348  14.678   6.861
  319    H    GLU  40           H        GLU  40  -7.940  11.956   3.914
  320    HA   GLU  40           HA       GLU  40  -8.146   9.136   4.255
  321   1HB   GLU  40          2HB       GLU  40  -7.118  10.798   1.948
  322   2HB   GLU  40          1HB       GLU  40  -7.420   9.066   1.877
  323   1HG   GLU  40          2HG       GLU  40  -9.748   9.364   2.167
  324   2HG   GLU  40          1HG       GLU  40  -9.543  11.060   2.597
  325    H    GLN  41           H        GLN  41  -5.513  11.431   4.036
  326    HA   GLN  41           HA       GLN  41  -3.331   9.709   3.890
  327   1HB   GLN  41          2HB       GLN  41  -2.530  11.795   3.682
  328   2HB   GLN  41          1HB       GLN  41  -3.881  12.491   4.554
  329   1HG   GLN  41          2HG       GLN  41  -2.213  13.110   5.929
  330   2HG   GLN  41          1HG       GLN  41  -2.556  11.535   6.633
  331   1HE2  GLN  41          1HE2      GLN  41  -1.321  10.018   4.521
  332   2HE2  GLN  41          2HE2      GLN  41   0.384  10.241   4.678
  333    H    ASP  42           H        ASP  42  -5.181  10.851   6.675
  334    HA   ASP  42           HA       ASP  42  -3.653   9.575   8.683
  335   1HB   ASP  42          2HB       ASP  42  -5.234  11.375   9.181
  336   2HB   ASP  42          1HB       ASP  42  -6.574  10.372   8.642
  337    H    ASP  43           H        ASP  43  -6.565   8.592   6.926
  338    HA   ASP  43           HA       ASP  43  -6.993   6.126   8.165
  339   1HB   ASP  43          2HB       ASP  43  -7.804   7.369   5.609
  340   2HB   ASP  43          1HB       ASP  43  -7.864   5.611   5.651
  341    H    PHE  44           H        PHE  44  -4.925   6.952   5.423
  342    HA   PHE  44           HA       PHE  44  -4.210   4.286   4.766
  343   1HB   PHE  44          2HB       PHE  44  -3.961   6.313   3.270
  344   2HB   PHE  44          1HB       PHE  44  -2.561   6.763   4.236
  345    HD1  PHE  44           1HD      PHE  44  -0.559   5.264   4.267
  346    HD2  PHE  44           2HD      PHE  44  -3.827   4.661   1.609
  347    HE1  PHE  44           1HE      PHE  44   0.857   3.836   2.854
  348    HE2  PHE  44           2HE      PHE  44  -2.413   3.232   0.195
  349    HZ   PHE  44           HZ       PHE  44  -0.069   2.817   0.816
  350    H    VAL  45           H        VAL  45  -2.611   6.777   6.743
  351    HA   VAL  45           HA       VAL  45  -0.326   5.282   7.394
  352    HB   VAL  45           HB       VAL  45  -1.698   7.439   9.017
  353   1HG1  VAL  45          1HG1      VAL  45   0.436   7.686  10.190
  354   2HG1  VAL  45          2HG1      VAL  45   1.093   6.319   9.293
  355   3HG1  VAL  45          3HG1      VAL  45  -0.230   6.072  10.433
  356   1HG2  VAL  45          1HG2      VAL  45  -0.961   8.192   6.820
  357   2HG2  VAL  45          2HG2      VAL  45   0.650   7.542   7.128
  358   3HG2  VAL  45          3HG2      VAL  45   0.046   8.893   8.088
  359    H    ALA  46           H        ALA  46  -3.469   5.548   9.000
  360    HA   ALA  46           HA       ALA  46  -2.986   3.925  11.213
  361   1HB   ALA  46          1HB       ALA  46  -5.396   3.588  11.295
  362   2HB   ALA  46          2HB       ALA  46  -5.546   4.180   9.641
  363   3HB   ALA  46          3HB       ALA  46  -5.012   5.269  10.923
  364    H    LEU  47           H        LEU  47  -3.784   3.051   7.898
  365    HA   LEU  47           HA       LEU  47  -4.251   0.307   8.309
  366   1HB   LEU  47          2HB       LEU  47  -3.274   1.838   5.907
  367   2HB   LEU  47          1HB       LEU  47  -3.600   0.119   5.865
  368    HG   LEU  47           HG       LEU  47  -5.640   2.246   6.512
  369   1HD1  LEU  47          1HD1      LEU  47  -6.576   1.687   4.309
  370   2HD1  LEU  47          2HD1      LEU  47  -5.198   0.628   4.006
  371   3HD1  LEU  47          3HD1      LEU  47  -4.951   2.365   4.185
  372   1HD2  LEU  47          1HD2      LEU  47  -7.252   0.427   6.327
  373   2HD2  LEU  47          2HD2      LEU  47  -6.077   0.094   7.601
  374   3HD2  LEU  47          3HD2      LEU  47  -5.941  -0.718   6.042
  375    H    LEU  48           H        LEU  48  -1.293   2.096   7.534
  376    HA   LEU  48           HA       LEU  48   0.342  -0.221   7.299
  377   1HB   LEU  48          2HB       LEU  48   1.091   2.655   7.811
  378   2HB   LEU  48          1HB       LEU  48   2.226   1.379   7.410
  379    HG   LEU  48           HG       LEU  48   0.002   2.379   5.627
  380   1HD1  LEU  48          1HD1      LEU  48   1.849   3.233   4.240
  381   2HD1  LEU  48          2HD1      LEU  48   2.987   2.774   5.507
  382   3HD1  LEU  48          3HD1      LEU  48   1.767   4.009   5.820
  383   1HD2  LEU  48          1HD2      LEU  48   0.459   0.006   5.281
  384   2HD2  LEU  48          2HD2      LEU  48   2.178   0.357   5.092
  385   3HD2  LEU  48          3HD2      LEU  48   1.017   0.968   3.914
  386    H    GLU  49           H        GLU  49  -0.689   1.736   9.964
  387    HA   GLU  49           HA       GLU  49   1.289   0.825  11.810
  388   1HB   GLU  49          2HB       GLU  49  -1.357   2.224  12.151
  389   2HB   GLU  49          1HB       GLU  49  -0.369   1.738  13.524
  390   1HG   GLU  49          2HG       GLU  49   0.583   3.530  11.302
  391   2HG   GLU  49          1HG       GLU  49  -0.065   4.103  12.840
  392    H    SER  50           H        SER  50  -1.466  -0.589  10.460
  393    HA   SER  50           HA       SER  50  -1.763  -2.499  12.651
  394   1HB   SER  50          2HB       SER  50  -3.765  -1.460  11.446
  395   2HB   SER  50          1HB       SER  50  -3.308  -2.431  10.049
  396    HG   SER  50           HG       SER  50  -4.285  -3.249  12.555
  397    H    ASP  51           H        ASP  51  -2.401  -4.786  11.252
  398    HA   ASP  51           HA       ASP  51   0.195  -5.552  10.163
  399   1HB   ASP  51          2HB       ASP  51  -1.064  -6.856  12.001
  400   2HB   ASP  51          1HB       ASP  51  -2.127  -7.402  10.709
  401    H    ASP  52           H        ASP  52  -0.291  -7.503   8.344
  402    HA   ASP  52           HA       ASP  52  -2.004  -6.134   6.368
  403   1HB   ASP  52          2HB       ASP  52  -0.362  -6.816   4.624
  404   2HB   ASP  52          1HB       ASP  52   0.283  -5.680   5.797
  405    HA   PRO  53           HA       PRO  53  -2.902 -10.751   6.355
  406   1HB   PRO  53          2HB       PRO  53  -5.291 -10.576   7.901
  407   2HB   PRO  53          1HB       PRO  53  -3.765 -11.326   8.366
  408   1HG   PRO  53          2HG       PRO  53  -4.857  -9.052   9.531
  409   2HG   PRO  53          1HG       PRO  53  -3.159  -9.547   9.642
  410   1HD   PRO  53          2HD       PRO  53  -4.431  -7.514   7.861
  411   2HD   PRO  53          1HD       PRO  53  -2.840  -7.488   8.651
  412    H    ASP  54           H        ASP  54  -5.666  -8.518   6.735
  413    HA   ASP  54           HA       ASP  54  -7.124  -9.655   4.579
  414   1HB   ASP  54          2HB       ASP  54  -8.215  -8.431   6.435
  415   2HB   ASP  54          1HB       ASP  54  -7.464  -6.940   5.874
  416    H    LEU  55           H        LEU  55  -4.934  -6.937   4.902
  417    HA   LEU  55           HA       LEU  55  -5.345  -5.708   2.428
  418   1HB   LEU  55          2HB       LEU  55  -3.970  -4.882   4.404
  419   2HB   LEU  55          1HB       LEU  55  -2.687  -5.931   3.842
  420    HG   LEU  55           HG       LEU  55  -3.843  -3.801   2.057
  421   1HD1  LEU  55          1HD1      LEU  55  -1.544  -3.490   3.988
  422   2HD1  LEU  55          2HD1      LEU  55  -3.129  -2.736   4.156
  423   3HD1  LEU  55          3HD1      LEU  55  -2.084  -2.299   2.804
  424   1HD2  LEU  55          1HD2      LEU  55  -1.652  -3.932   0.989
  425   2HD2  LEU  55          2HD2      LEU  55  -2.434  -5.512   1.013
  426   3HD2  LEU  55          3HD2      LEU  55  -1.144  -5.149   2.160
  427    H    PHE  56           H        PHE  56  -3.102  -8.316   3.357
  428    HA   PHE  56           HA       PHE  56  -1.886  -8.721   0.880
  429   1HB   PHE  56          2HB       PHE  56  -1.274  -9.755   3.117
  430   2HB   PHE  56          1HB       PHE  56  -2.593 -10.888   2.863
  431    HD1  PHE  56           2HD      PHE  56   0.602  -9.698   1.426
  432    HD2  PHE  56           1HD      PHE  56  -2.277 -12.826   1.590
  433    HE1  PHE  56           2HE      PHE  56   2.116 -11.151   0.145
  434    HE2  PHE  56           1HE      PHE  56  -0.762 -14.293   0.317
  435    HZ   PHE  56           HZ       PHE  56   1.434 -13.452  -0.411
  436    H    ALA  57           H        ALA  57  -5.000  -9.743   2.109
  437    HA   ALA  57           HA       ALA  57  -5.540 -11.627   0.030
  438   1HB   ALA  57          1HB       ALA  57  -7.797 -11.690   0.951
  439   2HB   ALA  57          2HB       ALA  57  -7.428 -10.297   1.968
  440   3HB   ALA  57          3HB       ALA  57  -6.584 -11.827   2.222
  441    H    TRP  58           H        TRP  58  -6.099  -8.176   0.421
  442    HA   TRP  58           HA       TRP  58  -7.937  -7.964  -1.729
  443   1HB   TRP  58          2HB       TRP  58  -6.242  -5.952  -0.295
  444   2HB   TRP  58          1HB       TRP  58  -7.119  -5.506  -1.757
  445    HD1  TRP  58           HD       TRP  58  -7.804  -7.008   1.693
  446    HE1  TRP  58           1HE      TRP  58 -10.154  -6.314   2.453
  447    HE3  TRP  58           3HE      TRP  58  -9.309  -4.578  -2.545
  448    HZ2  TRP  58           2HZ      TRP  58 -12.379  -4.932   1.366
  449    HZ3  TRP  58           3HZ      TRP  58 -11.576  -3.610  -2.605
  450    HH2  TRP  58           HH       TRP  58 -13.073  -3.787  -0.689
  451    H    VAL  59           H        VAL  59  -4.455  -7.856  -1.469
  452    HA   VAL  59           HA       VAL  59  -3.934  -7.040  -4.137
  453    HB   VAL  59           HB       VAL  59  -2.164  -8.646  -2.284
  454   1HG1  VAL  59          1HG1      VAL  59  -1.459  -6.961  -4.685
  455   2HG1  VAL  59          2HG1      VAL  59  -1.429  -8.722  -4.618
  456   3HG1  VAL  59          3HG1      VAL  59  -0.314  -7.784  -3.624
  457   1HG2  VAL  59          1HG2      VAL  59  -2.872  -6.557  -1.249
  458   2HG2  VAL  59          2HG2      VAL  59  -2.365  -5.661  -2.680
  459   3HG2  VAL  59          3HG2      VAL  59  -1.165  -6.487  -1.686
  460    H    MET  60           H        MET  60  -4.587 -10.127  -2.632
  461    HA   MET  60           HA       MET  60  -4.047 -11.598  -5.072
  462   1HB   MET  60          2HB       MET  60  -5.275 -12.482  -2.454
  463   2HB   MET  60          1HB       MET  60  -4.930 -13.552  -3.809
  464   1HG   MET  60          2HG       MET  60  -2.535 -12.925  -3.617
  465   2HG   MET  60          1HG       MET  60  -2.940 -12.002  -2.169
  466   1HE   MET  60          1HE       MET  60  -5.220 -13.882  -0.920
  467   2HE   MET  60          2HE       MET  60  -3.954 -13.138   0.057
  468   3HE   MET  60          3HE       MET  60  -4.273 -14.867   0.196
  469    H    GLY  61           H        GLY  61  -6.613  -9.853  -3.711
  470   1HA   GLY  61          2HA       GLY  61  -8.531  -9.205  -4.868
  471   2HA   GLY  61          1HA       GLY  61  -8.252 -10.501  -6.017
  472    H    HIS  62           H        HIS  62  -8.575 -10.668  -2.469
  473    HA   HIS  62           HA       HIS  62 -11.263 -11.700  -2.671
  474   1HB   HIS  62          2HB       HIS  62  -9.453 -13.605  -3.117
  475   2HB   HIS  62          1HB       HIS  62  -9.387 -13.612  -1.357
  476    HD1  HIS  62           1HD      HIS  62 -10.723 -15.677  -3.637
  477    HD2  HIS  62           2HD      HIS  62 -12.561 -13.413  -0.671
  478    HE1  HIS  62           1HE      HIS  62 -12.929 -16.794  -3.201
  479    HE2  HIS  62           2HE      HIS  62 -14.110 -15.282  -1.569
  480    H    GLY  63           H        GLY  63  -9.939  -9.503  -1.332
  481   1HA   GLY  63          2HA       GLY  63 -10.009 -10.304   1.485
  482   2HA   GLY  63          1HA       GLY  63  -9.344  -8.800   0.861
  483    H    ARG  64           H        ARG  64 -10.909  -8.525   2.966
  484    HA   ARG  64           HA       ARG  64 -13.167  -7.077   1.910
  485   1HB   ARG  64          2HB       ARG  64 -14.773  -8.201   3.497
  486   2HB   ARG  64          1HB       ARG  64 -14.275  -9.168   2.118
  487   1HG   ARG  64          2HG       ARG  64 -12.638 -10.322   3.565
  488   2HG   ARG  64          1HG       ARG  64 -13.250  -9.399   4.939
  489   1HD   ARG  64          2HD       ARG  64 -15.476 -10.370   4.587
  490   2HD   ARG  64          1HD       ARG  64 -14.846 -11.301   3.228
  491    HE   ARG  64           HE       ARG  64 -13.640 -11.666   5.884
  492   1HH1  ARG  64          1HH1      ARG  64 -15.551 -12.922   3.216
  493   2HH1  ARG  64          2HH1      ARG  64 -15.467 -14.566   3.782
  494   1HH2  ARG  64          1HH2      ARG  64 -13.563 -13.835   6.621
  495   2HH2  ARG  64          2HH2      ARG  64 -14.383 -15.076   5.719
  496    H    CYS  65           H        CYS  65 -12.265  -5.234   2.740
  497    HA   CYS  65           HA       CYS  65 -11.382  -5.046   5.452
  498   1HB   CYS  65          2HB       CYS  65 -11.893  -2.935   3.353
  499   2HB   CYS  65          1HB       CYS  65 -11.259  -2.582   4.957
  500    HG   CYS  65           HG       CYS  65  -9.351  -4.911   3.849
  501    H    GLU  66           H        GLU  66 -12.275  -3.451   6.972
  502    HA   GLU  66           HA       GLU  66 -14.943  -3.976   7.605
  503   1HB   GLU  66          2HB       GLU  66 -13.217  -1.659   8.497
  504   2HB   GLU  66          1HB       GLU  66 -14.697  -2.195   9.284
  505   1HG   GLU  66          2HG       GLU  66 -12.161  -3.792   9.000
  506   2HG   GLU  66          1HG       GLU  66 -12.734  -2.994  10.466
  507    H    ASN  67           H        ASN  67 -13.502  -1.085   6.127
  508    HA   ASN  67           HA       ASN  67 -16.120  -0.521   4.944
  509   1HB   ASN  67          2HB       ASN  67 -15.852   1.880   5.307
  510   2HB   ASN  67          1HB       ASN  67 -15.854   1.020   6.841
  511   1HD2  ASN  67          1HD2      ASN  67 -14.785   3.657   6.053
  512   2HD2  ASN  67          2HD2      ASN  67 -13.119   3.635   6.547
  513    H    LEU  68           H        LEU  68 -16.010   0.749   2.980
  514    HA   LEU  68           HA       LEU  68 -13.849  -0.190   1.352
  515   1HB   LEU  68          2HB       LEU  68 -16.237   1.533   0.730
  516   2HB   LEU  68          1HB       LEU  68 -15.058   1.047  -0.471
  517    HG   LEU  68           HG       LEU  68 -16.928  -0.739   1.075
  518   1HD1  LEU  68          1HD1      LEU  68 -16.633  -0.191  -1.871
  519   2HD1  LEU  68          2HD1      LEU  68 -17.916   0.421  -0.827
  520   3HD1  LEU  68          3HD1      LEU  68 -17.777  -1.311  -1.134
  521   1HD2  LEU  68          1HD2      LEU  68 -14.727  -1.526  -0.831
  522   2HD2  LEU  68          2HD2      LEU  68 -15.933  -2.612  -0.141
  523   3HD2  LEU  68          3HD2      LEU  68 -14.750  -1.826   0.907
  524    H    GLY  69           H        GLY  69 -14.495   2.691   3.079
  525   1HA   GLY  69          2HA       GLY  69 -12.993   4.576   1.693
  526   2HA   GLY  69          1HA       GLY  69 -13.154   4.525   3.443
  527    H    LEU  70           H        LEU  70 -11.858   2.226   4.116
  528    HA   LEU  70           HA       LEU  70  -9.113   2.913   3.801
  529   1HB   LEU  70          2HB       LEU  70 -10.465   0.476   4.955
  530   2HB   LEU  70          1HB       LEU  70  -8.732   0.726   4.988
  531    HG   LEU  70           HG       LEU  70 -10.769   2.513   6.322
  532   1HD1  LEU  70          1HD1      LEU  70  -8.830   0.528   7.505
  533   2HD1  LEU  70          2HD1      LEU  70 -10.575   0.313   7.390
  534   3HD1  LEU  70          3HD1      LEU  70  -9.910   1.593   8.405
  535   1HD2  LEU  70          1HD2      LEU  70  -8.790   3.729   5.602
  536   2HD2  LEU  70          2HD2      LEU  70  -7.756   2.535   6.385
  537   3HD2  LEU  70          3HD2      LEU  70  -8.814   3.558   7.357
  538    H    ALA  71           H        ALA  71 -11.290   0.690   2.241
  539    HA   ALA  71           HA       ALA  71  -9.343  -0.942   0.987
  540   1HB   ALA  71          1HB       ALA  71 -11.173  -1.788  -0.351
  541   2HB   ALA  71          2HB       ALA  71 -12.195  -0.442   0.153
  542   3HB   ALA  71          3HB       ALA  71 -11.671  -1.641   1.335
  543    H    ALA  72           H        ALA  72 -10.861   2.087   0.157
  544    HA   ALA  72           HA       ALA  72 -10.257   2.191  -2.574
  545   1HB   ALA  72          1HB       ALA  72 -10.539   4.605  -2.364
  546   2HB   ALA  72          2HB       ALA  72 -10.446   4.471  -0.608
  547   3HB   ALA  72          3HB       ALA  72 -11.793   3.738  -1.480
  548    H    MET  73           H        MET  73  -8.306   2.783   0.255
  549    HA   MET  73           HA       MET  73  -6.160   4.135  -1.003
  550   1HB   MET  73          2HB       MET  73  -5.924   2.298   1.387
  551   2HB   MET  73          1HB       MET  73  -4.899   3.667   0.983
  552   1HG   MET  73          2HG       MET  73  -7.779   3.788   1.835
  553   2HG   MET  73          1HG       MET  73  -6.380   4.200   2.822
  554   1HE   MET  73          1HE       MET  73  -7.772   6.462   3.331
  555   2HE   MET  73          2HE       MET  73  -9.028   6.014   2.176
  556   3HE   MET  73          3HE       MET  73  -8.265   7.600   2.076
  557    H    VAL  74           H        VAL  74  -6.717   0.721  -0.225
  558    HA   VAL  74           HA       VAL  74  -4.354  -0.267  -1.423
  559    HB   VAL  74           HB       VAL  74  -6.968  -1.742  -1.049
  560   1HG1  VAL  74          1HG1      VAL  74  -5.393  -2.908  -2.493
  561   2HG1  VAL  74          2HG1      VAL  74  -5.558  -3.742  -0.948
  562   3HG1  VAL  74          3HG1      VAL  74  -4.134  -2.752  -1.267
  563   1HG2  VAL  74          1HG2      VAL  74  -6.054  -2.483   1.107
  564   2HG2  VAL  74          2HG2      VAL  74  -6.285  -0.734   1.052
  565   3HG2  VAL  74          3HG2      VAL  74  -4.669  -1.417   0.875
  566    H    ASP  75           H        ASP  75  -7.617   0.307  -2.585
  567    HA   ASP  75           HA       ASP  75  -7.562  -0.914  -5.069
  568   1HB   ASP  75          2HB       ASP  75  -9.582   0.073  -4.125
  569   2HB   ASP  75          1HB       ASP  75  -8.881   1.681  -4.246
  570    H    LYS  76           H        LYS  76  -6.520   2.364  -4.203
  571    HA   LYS  76           HA       LYS  76  -5.811   3.133  -6.832
  572   1HB   LYS  76          2HB       LYS  76  -4.893   4.234  -4.173
  573   2HB   LYS  76          1HB       LYS  76  -4.658   5.022  -5.728
  574   1HG   LYS  76          2HG       LYS  76  -7.131   5.039  -6.011
  575   2HG   LYS  76          1HG       LYS  76  -7.268   4.431  -4.361
  576   1HD   LYS  76          2HD       LYS  76  -6.096   6.415  -3.536
  577   2HD   LYS  76          1HD       LYS  76  -5.973   7.026  -5.189
  578   1HE   LYS  76          2HE       LYS  76  -8.493   6.879  -5.291
  579   2HE   LYS  76          1HE       LYS  76  -8.457   6.589  -3.552
  580   1HZ   LYS  76          1HZ       LYS  76  -8.833   8.923  -4.086
  581   2HZ   LYS  76          2HZ       LYS  76  -7.357   8.986  -4.918
  582   3HZ   LYS  76          3HZ       LYS  76  -7.377   8.714  -3.246
  583    H    ILE  77           H        ILE  77  -4.033   1.630  -4.210
  584    HA   ILE  77           HA       ILE  77  -1.468   1.735  -5.412
  585    HB   ILE  77           HB       ILE  77  -2.591  -0.244  -3.420
  586   1HG1  ILE  77          2HG1      ILE  77  -0.846   2.195  -3.015
  587   2HG1  ILE  77          1HG1      ILE  77  -2.574   2.122  -2.681
  588   1HG2  ILE  77          1HG2      ILE  77  -0.669  -1.200  -4.542
  589   2HG2  ILE  77          2HG2      ILE  77  -0.238  -0.753  -2.892
  590   3HG2  ILE  77          3HG2      ILE  77   0.268   0.264  -4.242
  591   1HD1  ILE  77          1HD1      ILE  77  -1.304   1.903  -0.642
  592   2HD1  ILE  77          2HD1      ILE  77  -0.423   0.526  -1.308
  593   3HD1  ILE  77          3HD1      ILE  77  -2.153   0.398  -0.989
  594    H    VAL  78           H        VAL  78  -3.994  -0.760  -5.354
  595    HA   VAL  78           HA       VAL  78  -2.656  -2.634  -6.967
  596    HB   VAL  78           HB       VAL  78  -5.633  -2.244  -6.570
  597   1HG1  VAL  78          1HG1      VAL  78  -4.125  -4.597  -7.712
  598   2HG1  VAL  78          2HG1      VAL  78  -5.217  -3.529  -8.594
  599   3HG1  VAL  78          3HG1      VAL  78  -5.845  -4.576  -7.321
  600   1HG2  VAL  78          1HG2      VAL  78  -3.684  -4.140  -5.252
  601   2HG2  VAL  78          2HG2      VAL  78  -5.422  -4.071  -4.960
  602   3HG2  VAL  78          3HG2      VAL  78  -4.397  -2.710  -4.504
  603    H    ALA  79           H        ALA  79  -4.768   0.080  -7.791
  604    HA   ALA  79           HA       ALA  79  -5.097  -0.438 -10.515
  605   1HB   ALA  79          1HB       ALA  79  -5.562   1.937 -10.759
  606   2HB   ALA  79          2HB       ALA  79  -4.831   2.258  -9.186
  607   3HB   ALA  79          3HB       ALA  79  -6.313   1.309  -9.293
  608    H    HIS  80           H        HIS  80  -2.491   1.243  -8.808
  609    HA   HIS  80           HA       HIS  80  -0.994   1.873 -11.146
  610   1HB   HIS  80          2HB       HIS  80  -0.421   1.858  -8.205
  611   2HB   HIS  80          1HB       HIS  80   0.883   2.083  -9.353
  612    HD1  HIS  80           1HD      HIS  80  -2.155   3.786  -7.958
  613    HD2  HIS  80           2HD      HIS  80   0.958   4.559 -10.611
  614    HE1  HIS  80           1HE      HIS  80  -2.229   6.267  -8.397
  615    HE2  HIS  80           2HE      HIS  80  -0.291   6.720  -9.949
  616    H    ASN  81           H        ASN  81  -0.866  -0.693  -8.726
  617    HA   ASN  81           HA       ASN  81   1.485  -1.935  -9.659
  618   1HB   ASN  81          2HB       ASN  81   0.510  -2.300  -7.406
  619   2HB   ASN  81          1HB       ASN  81  -0.817  -3.188  -8.143
  620   1HD2  ASN  81          1HD2      ASN  81  -0.355  -5.093  -7.085
  621   2HD2  ASN  81          2HD2      ASN  81   1.041  -6.046  -7.436
  622    H    LEU  82           H        LEU  82  -1.903  -2.352 -10.495
  623    HA   LEU  82           HA       LEU  82  -1.836  -4.757 -11.867
  624   1HB   LEU  82          2HB       LEU  82  -3.853  -3.385 -11.314
  625   2HB   LEU  82          1HB       LEU  82  -3.431  -2.312 -12.630
  626    HG   LEU  82           HG       LEU  82  -3.690  -4.196 -14.218
  627   1HD1  LEU  82          1HD1      LEU  82  -4.788  -6.244 -13.471
  628   2HD1  LEU  82          2HD1      LEU  82  -4.716  -5.681 -11.801
  629   3HD1  LEU  82          3HD1      LEU  82  -3.227  -6.029 -12.679
  630   1HD2  LEU  82          1HD2      LEU  82  -6.136  -4.276 -14.128
  631   2HD2  LEU  82          2HD2      LEU  82  -5.533  -2.646 -13.838
  632   3HD2  LEU  82          3HD2      LEU  82  -6.100  -3.630 -12.487
  633    H    SER  83           H        SER  83  -1.003  -1.526 -12.965
  634    HA   SER  83           HA       SER  83  -0.642  -2.225 -15.688
  635   1HB   SER  83          2HB       SER  83  -0.964   0.122 -14.781
  636   2HB   SER  83          1HB       SER  83   0.708   0.062 -14.224
  637    HG   SER  83           HG       SER  83   1.420   0.159 -16.246
  638    H    LYS  84           H        LYS  84   1.538  -2.144 -12.902
  639    HA   LYS  84           HA       LYS  84   3.863  -2.854 -14.390
  640   1HB   LYS  84          2HB       LYS  84   3.236  -3.165 -11.450
  641   2HB   LYS  84          1HB       LYS  84   4.813  -3.467 -12.167
  642   1HG   LYS  84          2HG       LYS  84   4.835  -1.108 -12.956
  643   2HG   LYS  84          1HG       LYS  84   3.345  -0.843 -12.050
  644   1HD   LYS  84          2HD       LYS  84   4.480  -1.444  -9.979
  645   2HD   LYS  84          1HD       LYS  84   5.967  -1.767 -10.872
  646   1HE   LYS  84          2HE       LYS  84   4.568   0.888 -10.581
  647   2HE   LYS  84          1HE       LYS  84   6.093   0.419  -9.837
  648   1HZ   LYS  84          1HZ       LYS  84   6.874   0.081 -12.247
  649   2HZ   LYS  84          2HZ       LYS  84   6.733   1.667 -11.664
  650   3HZ   LYS  84          3HZ       LYS  84   5.530   1.031 -12.671
  651    H    VAL  85           H        VAL  85   1.261  -4.608 -12.897
  652    HA   VAL  85           HA       VAL  85   2.405  -7.202 -13.047
  653    HB   VAL  85           HB       VAL  85  -0.483  -6.304 -12.914
  654   1HG1  VAL  85          1HG1      VAL  85   0.616  -9.099 -12.603
  655   2HG1  VAL  85          2HG1      VAL  85  -0.374  -8.522 -13.945
  656   3HG1  VAL  85          3HG1      VAL  85  -1.052  -8.605 -12.318
  657   1HG2  VAL  85          1HG2      VAL  85   0.825  -5.761 -10.939
  658   2HG2  VAL  85          2HG2      VAL  85   1.381  -7.431 -10.828
  659   3HG2  VAL  85          3HG2      VAL  85  -0.323  -7.050 -10.579
  660    H    ARG  86           H        ARG  86   0.475  -5.259 -15.270
  661    HA   ARG  86           HA       ARG  86   0.340  -7.382 -17.214
  662   1HB   ARG  86          2HB       ARG  86  -0.783  -5.781 -18.647
  663   2HB   ARG  86          1HB       ARG  86  -1.455  -5.709 -17.028
  664   1HG   ARG  86          2HG       ARG  86  -0.289  -3.679 -16.564
  665   2HG   ARG  86          1HG       ARG  86   0.566  -3.772 -18.106
  666   1HD   ARG  86          2HD       ARG  86  -2.426  -3.576 -17.824
  667   2HD   ARG  86          1HD       ARG  86  -1.362  -2.198 -18.103
  668    HE   ARG  86           HE       ARG  86  -0.695  -3.839 -20.123
  669   1HH1  ARG  86          1HH1      ARG  86  -3.827  -2.800 -18.941
  670   2HH1  ARG  86          2HH1      ARG  86  -4.562  -2.791 -20.520
  671   1HH2  ARG  86          1HH2      ARG  86  -1.659  -3.872 -22.181
  672   2HH2  ARG  86          2HH2      ARG  86  -3.324  -3.389 -22.364
  673    H    LEU  87           H        LEU  87   2.342  -4.601 -16.583
  674    HA   LEU  87           HA       LEU  87   3.837  -4.495 -18.939
  675   1HB   LEU  87          2HB       LEU  87   3.869  -2.975 -16.837
  676   2HB   LEU  87          1HB       LEU  87   5.033  -4.116 -16.203
  677    HG   LEU  87           HG       LEU  87   5.435  -2.633 -18.798
  678   1HD1  LEU  87          1HD1      LEU  87   5.217  -1.041 -16.963
  679   2HD1  LEU  87          2HD1      LEU  87   6.878  -1.118 -17.551
  680   3HD1  LEU  87          3HD1      LEU  87   6.437  -1.925 -16.046
  681   1HD2  LEU  87          1HD2      LEU  87   7.364  -4.082 -16.981
  682   2HD2  LEU  87          2HD2      LEU  87   7.789  -3.207 -18.453
  683   3HD2  LEU  87          3HD2      LEU  87   6.788  -4.655 -18.546
  684    H    GLU  88           H        GLU  88   4.534  -6.257 -15.919
  685    HA   GLU  88           HA       GLU  88   6.173  -8.131 -17.477
  686   1HB   GLU  88          2HB       GLU  88   6.082  -7.475 -14.543
  687   2HB   GLU  88          1HB       GLU  88   6.801  -8.972 -15.117
  688   1HG   GLU  88          2HG       GLU  88   8.293  -7.567 -16.574
  689   2HG   GLU  88          1HG       GLU  88   7.680  -6.159 -15.703
  690    H    HIS  89           H        HIS  89   4.189  -9.018 -18.376
  691    HA   HIS  89           HA       HIS  89   2.380 -10.363 -16.577
  692   1HB   HIS  89          2HB       HIS  89   1.627  -9.313 -18.722
  693   2HB   HIS  89          1HB       HIS  89   2.520 -10.550 -19.598
  694    HD1  HIS  89           1HD      HIS  89  -0.578 -10.027 -17.537
  695    HD2  HIS  89           2HD      HIS  89   1.289 -13.050 -19.709
  696    HE1  HIS  89           1HE      HIS  89  -2.281 -11.861 -17.757
  697    HE2  HIS  89           2HE      HIS  89  -1.129 -13.697 -19.045
  698    H    HIS  90           H        HIS  90   4.055 -11.618 -15.558
  699    HA   HIS  90           HA       HIS  90   4.261 -14.220 -16.858
  700   1HB   HIS  90          2HB       HIS  90   6.592 -14.533 -16.168
  701   2HB   HIS  90          1HB       HIS  90   6.446 -13.169 -17.265
  702    HD1  HIS  90           1HD      HIS  90   7.513 -14.101 -13.836
  703    HD2  HIS  90           2HD      HIS  90   6.919 -10.637 -16.069
  704    HE1  HIS  90           1HE      HIS  90   8.633 -12.251 -12.542
  705    HE2  HIS  90           2HE      HIS  90   8.442 -10.213 -14.020
  706    H    HIS  91           H        HIS  91   5.385 -15.730 -14.978
  707    HA   HIS  91           HA       HIS  91   3.312 -15.999 -13.107
  708   1HB   HIS  91          2HB       HIS  91   6.102 -17.156 -13.074
  709   2HB   HIS  91          1HB       HIS  91   4.821 -17.628 -11.962
  710    HD1  HIS  91           1HD      HIS  91   6.375 -18.949 -14.738
  711    HD2  HIS  91           2HD      HIS  91   2.372 -18.288 -13.827
  712    HE1  HIS  91           1HE      HIS  91   5.077 -20.493 -16.234
  713    HE2  HIS  91           2HE      HIS  91   2.658 -19.920 -15.815
  714    H    HIS  92           H        HIS  92   2.913 -15.113 -11.210
  715    HA   HIS  92           HA       HIS  92   5.062 -13.556  -9.924
  716   1HB   HIS  92          2HB       HIS  92   2.061 -13.228  -9.711
  717   2HB   HIS  92          1HB       HIS  92   3.240 -12.298  -8.793
  718    HD1  HIS  92           1HD      HIS  92   1.339 -12.240 -11.859
  719    HD2  HIS  92           2HD      HIS  92   5.004 -10.718 -10.597
  720    HE1  HIS  92           1HE      HIS  92   1.926 -10.422 -13.500
  721    HE2  HIS  92           2HE      HIS  92   4.199  -9.603 -12.790
  722    H    HIS  93           H        HIS  93   2.708 -16.070  -9.574
  723    HA   HIS  93           HA       HIS  93   3.272 -16.493  -6.769
  724   1HB   HIS  93          2HB       HIS  93   1.062 -17.100  -7.669
  725   2HB   HIS  93          1HB       HIS  93   1.817 -18.233  -8.783
  726    HD1  HIS  93           1HD      HIS  93   2.476 -20.525  -7.876
  727    HD2  HIS  93           2HD      HIS  93   0.995 -17.948  -4.963
  728    HE1  HIS  93           1HE      HIS  93   2.124 -21.945  -5.830
  729    HE2  HIS  93           2HE      HIS  93   1.100 -20.393  -4.121
  730    H    HIS  94           H        HIS  94   5.058 -17.468  -6.069
  731    HA   HIS  94           HA       HIS  94   6.354 -19.420  -7.850
  732   1HB   HIS  94          2HB       HIS  94   7.528 -17.163  -7.740
  733   2HB   HIS  94          1HB       HIS  94   7.873 -17.527  -6.053
  734    HD1  HIS  94           1HD      HIS  94   9.721 -19.235  -5.556
  735    HD2  HIS  94           2HD      HIS  94   8.960 -18.711  -9.616
  736    HE1  HIS  94           1HE      HIS  94  11.601 -20.399  -6.762
  737    HE2  HIS  94           2HE      HIS  94  11.109 -20.099  -9.218
  Start of MODEL    4
    1   1H    MET   1          1HT       MET   1  -0.296  17.376   3.497
    2   2H    MET   1          2HT       MET   1  -0.278  15.937   4.381
    3   3H    MET   1          3HT       MET   1   1.079  16.393   3.465
    4    HA   MET   1           HA       MET   1   1.347  18.364   4.874
    5   1HB   MET   1          2HB       MET   1  -1.056  18.396   5.581
    6   2HB   MET   1          1HB       MET   1  -0.730  17.004   6.602
    7   1HG   MET   1          2HG       MET   1   0.903  18.344   7.862
    8   2HG   MET   1          1HG       MET   1   0.494  19.739   6.867
    9   1HE   MET   1          1HE       MET   1  -2.677  19.240   6.506
   10   2HE   MET   1          2HE       MET   1  -1.969  20.827   6.810
   11   3HE   MET   1          3HE       MET   1  -3.304  20.250   7.808
   12    H    TYR   2           H        TYR   2   1.170  14.950   5.122
   13    HA   TYR   2           HA       TYR   2   2.680  14.508   7.452
   14   1HB   TYR   2          2HB       TYR   2   2.412  12.853   4.929
   15   2HB   TYR   2          1HB       TYR   2   3.207  12.288   6.394
   16    HD1  TYR   2           1HD      TYR   2  -0.071  13.621   5.187
   17    HD2  TYR   2           2HD      TYR   2   1.958  11.174   8.017
   18    HE1  TYR   2           1HE      TYR   2  -2.235  12.845   6.062
   19    HE2  TYR   2           2HE      TYR   2  -0.200  10.396   8.897
   20    HH   TYR   2           HH       TYR   2  -3.165  10.994   7.286
   21    H    THR   3           H        THR   3   4.737  14.997   7.875
   22    HA   THR   3           HA       THR   3   6.321  16.326   5.932
   23    HB   THR   3           HB       THR   3   8.025  16.411   7.794
   24    HG1  THR   3           1HG      THR   3   6.837  15.823   9.898
   25   1HG2  THR   3          1HG2      THR   3   6.374  18.196   7.434
   26   2HG2  THR   3          2HG2      THR   3   6.729  17.979   9.148
   27   3HG2  THR   3          3HG2      THR   3   5.231  17.342   8.471
   28    H    ALA   4           H        ALA   4   8.656  15.825   5.691
   29    HA   ALA   4           HA       ALA   4   8.999  13.312   4.450
   30   1HB   ALA   4          1HB       ALA   4  11.116  15.286   5.285
   31   2HB   ALA   4          2HB       ALA   4  10.215  15.326   3.770
   32   3HB   ALA   4          3HB       ALA   4  11.306  13.984   4.112
   33    H    GLU   5           H        GLU   5  10.134  14.591   7.551
   34    HA   GLU   5           HA       GLU   5  11.653  12.364   8.352
   35   1HB   GLU   5          2HB       GLU   5  11.555  14.711   9.355
   36   2HB   GLU   5          1HB       GLU   5  10.097  14.184  10.180
   37   1HG   GLU   5          2HG       GLU   5  12.520  12.515  10.484
   38   2HG   GLU   5          1HG       GLU   5  12.482  14.076  11.294
   39    H    GLN   6           H        GLN   6   8.248  13.179   8.691
   40    HA   GLN   6           HA       GLN   6   7.545  10.948  10.300
   41   1HB   GLN   6          2HB       GLN   6   6.230  13.035  10.171
   42   2HB   GLN   6          1HB       GLN   6   5.810  12.656   8.510
   43   1HG   GLN   6          2HG       GLN   6   4.458  10.844   9.155
   44   2HG   GLN   6          1HG       GLN   6   5.121  10.833  10.790
   45   1HE2  GLN   6          1HE2      GLN   6   4.409  12.313  12.284
   46   2HE2  GLN   6          2HE2      GLN   6   3.004  13.297  12.028
   47    H    LYS   7           H        LYS   7   7.741  11.490   6.833
   48    HA   LYS   7           HA       LYS   7   6.417   9.168   5.982
   49   1HB   LYS   7          2HB       LYS   7   8.679  10.692   4.687
   50   2HB   LYS   7          1HB       LYS   7   7.849   9.350   3.916
   51   1HG   LYS   7          2HG       LYS   7   5.718  10.645   4.164
   52   2HG   LYS   7          1HG       LYS   7   6.697  12.015   4.695
   53   1HD   LYS   7          2HD       LYS   7   7.939  11.928   2.573
   54   2HD   LYS   7          1HD       LYS   7   6.923  10.587   2.042
   55   1HE   LYS   7          2HE       LYS   7   6.072  12.582   1.044
   56   2HE   LYS   7          1HE       LYS   7   4.943  12.090   2.303
   57   1HZ   LYS   7          1HZ       LYS   7   5.906  13.744   3.772
   58   2HZ   LYS   7          2HZ       LYS   7   5.358  14.473   2.346
   59   3HZ   LYS   7          3HZ       LYS   7   7.016  14.200   2.572
   60    H    ALA   8           H        ALA   8   9.697   9.682   7.113
   61    HA   ALA   8           HA       ALA   8  10.770   7.174   6.400
   62   1HB   ALA   8          1HB       ALA   8  12.131   9.092   7.121
   63   2HB   ALA   8          2HB       ALA   8  12.493   7.631   8.039
   64   3HB   ALA   8          3HB       ALA   8  11.506   8.903   8.760
   65    H    ARG   9           H        ARG   9   8.894   8.264   9.151
   66    HA   ARG   9           HA       ARG   9   9.155   5.915  10.720
   67   1HB   ARG   9          2HB       ARG   9   6.847   7.872  10.728
   68   2HB   ARG   9          1HB       ARG   9   7.339   6.800  12.033
   69   1HG   ARG   9          2HG       ARG   9   9.435   8.048  12.262
   70   2HG   ARG   9          1HG       ARG   9   8.924   9.129  10.966
   71   1HD   ARG   9          2HD       ARG   9   6.948   9.747  12.321
   72   2HD   ARG   9          1HD       ARG   9   7.572   8.743  13.630
   73    HE   ARG   9           HE       ARG   9   9.324  10.850  12.622
   74   1HH1  ARG   9          1HH1      ARG   9   7.112   9.736  15.098
   75   2HH1  ARG   9          2HH1      ARG   9   7.582  10.939  16.255
   76   1HH2  ARG   9          1HH2      ARG   9   9.920  12.473  14.113
   77   2HH2  ARG   9          2HH2      ARG   9   9.182  12.504  15.697
   78    H    ILE  10           H        ILE  10   7.017   6.938   8.149
   79    HA   ILE  10           HA       ILE  10   5.176   4.804   8.253
   80    HB   ILE  10           HB       ILE  10   6.098   6.408   5.858
   81   1HG1  ILE  10          2HG1      ILE  10   3.691   6.760   7.659
   82   2HG1  ILE  10          1HG1      ILE  10   5.129   7.770   7.679
   83   1HG2  ILE  10          1HG2      ILE  10   5.037   4.324   5.178
   84   2HG2  ILE  10          2HG2      ILE  10   4.003   5.702   4.807
   85   3HG2  ILE  10          3HG2      ILE  10   3.643   4.683   6.200
   86   1HD1  ILE  10          1HD1      ILE  10   3.330   8.861   6.492
   87   2HD1  ILE  10          2HD1      ILE  10   3.200   7.490   5.391
   88   3HD1  ILE  10          3HD1      ILE  10   4.655   8.486   5.390
   89    H    LYS  11           H        LYS  11   8.241   5.236   6.512
   90    HA   LYS  11           HA       LYS  11   8.325   2.795   5.163
   91   1HB   LYS  11          2HB       LYS  11  10.601   4.408   6.331
   92   2HB   LYS  11          1HB       LYS  11  10.808   3.057   5.228
   93   1HG   LYS  11          2HG       LYS  11   9.554   4.286   3.507
   94   2HG   LYS  11          1HG       LYS  11   9.404   5.654   4.618
   95   1HD   LYS  11          2HD       LYS  11  11.834   5.865   4.699
   96   2HD   LYS  11          1HD       LYS  11  12.003   4.472   3.633
   97   1HE   LYS  11          2HE       LYS  11  10.821   5.696   1.864
   98   2HE   LYS  11          1HE       LYS  11  10.687   7.094   2.931
   99   1HZ   LYS  11          1HZ       LYS  11  12.549   7.305   1.396
  100   2HZ   LYS  11          2HZ       LYS  11  13.232   5.876   2.002
  101   3HZ   LYS  11          3HZ       LYS  11  13.090   7.240   3.000
  102    H    TRP  12           H        TRP  12   9.338   3.622   8.452
  103    HA   TRP  12           HA       TRP  12  10.407   1.105   9.122
  104   1HB   TRP  12          2HB       TRP  12   9.372   3.413  10.726
  105   2HB   TRP  12          1HB       TRP  12   9.775   1.901  11.528
  106    HD1  TRP  12           HD       TRP  12  11.641   4.082   8.882
  107    HE1  TRP  12           1HE      TRP  12  14.088   4.329   9.657
  108    HE3  TRP  12           3HE      TRP  12  11.375   1.400  13.213
  109    HZ2  TRP  12           2HZ      TRP  12  15.687   3.488  11.836
  110    HZ3  TRP  12           3HZ      TRP  12  13.402   1.166  14.589
  111    HH2  TRP  12           HH       TRP  12  15.514   2.189  13.914
  112    H    ALA  13           H        ALA  13   7.128   2.269   8.976
  113    HA   ALA  13           HA       ALA  13   5.970   0.141  10.502
  114   1HB   ALA  13          1HB       ALA  13   4.841   2.305  10.208
  115   2HB   ALA  13          2HB       ALA  13   3.838   0.958   9.670
  116   3HB   ALA  13          3HB       ALA  13   4.664   1.969   8.486
  117    H    CYS  14           H        CYS  14   6.607   0.724   7.078
  118    HA   CYS  14           HA       CYS  14   5.324  -1.585   6.080
  119   1HB   CYS  14          2HB       CYS  14   7.698  -0.081   4.950
  120   2HB   CYS  14          1HB       CYS  14   6.712  -1.250   4.072
  121    HG   CYS  14           HG       CYS  14   4.356   0.467   4.705
  122    H    ARG  15           H        ARG  15   8.344  -1.069   7.662
  123    HA   ARG  15           HA       ARG  15   9.551  -3.559   6.923
  124   1HB   ARG  15          2HB       ARG  15  10.186  -1.807   9.306
  125   2HB   ARG  15          1HB       ARG  15  11.216  -3.044   8.611
  126   1HG   ARG  15          2HG       ARG  15  10.421  -0.466   7.276
  127   2HG   ARG  15          1HG       ARG  15  11.973  -0.806   8.038
  128   1HD   ARG  15          2HD       ARG  15  11.987  -2.834   6.380
  129   2HD   ARG  15          1HD       ARG  15  10.844  -1.834   5.482
  130    HE   ARG  15           HE       ARG  15  13.426  -0.694   6.298
  131   1HH1  ARG  15          1HH1      ARG  15  11.174  -1.614   3.761
  132   2HH1  ARG  15          2HH1      ARG  15  12.200  -1.018   2.488
  133   1HH2  ARG  15          1HH2      ARG  15  14.751   0.098   4.606
  134   2HH2  ARG  15          2HH2      ARG  15  14.212  -0.059   2.961
  135    H    ARG  16           H        ARG  16   6.863  -2.998   8.732
  136    HA   ARG  16           HA       ARG  16   7.549  -4.874  10.879
  137   1HB   ARG  16          2HB       ARG  16   5.034  -3.254  10.577
  138   2HB   ARG  16          1HB       ARG  16   5.552  -4.130  12.002
  139   1HG   ARG  16          2HG       ARG  16   7.030  -1.779  10.837
  140   2HG   ARG  16          1HG       ARG  16   5.848  -1.667  12.141
  141   1HD   ARG  16          2HD       ARG  16   8.065  -1.698  13.079
  142   2HD   ARG  16          1HD       ARG  16   7.247  -3.204  13.484
  143    HE   ARG  16           HE       ARG  16   8.988  -3.203  11.148
  144   1HH1  ARG  16          1HH1      ARG  16   8.529  -4.032  14.520
  145   2HH1  ARG  16          2HH1      ARG  16   9.783  -5.242  14.517
  146   1HH2  ARG  16          1HH2      ARG  16  10.628  -4.778  11.139
  147   2HH2  ARG  16          2HH2      ARG  16  10.984  -5.653  12.598
  148    H    GLY  17           H        GLY  17   7.376  -6.874  10.038
  149   1HA   GLY  17          2HA       GLY  17   6.198  -8.842   9.804
  150   2HA   GLY  17          1HA       GLY  17   4.714  -7.915   9.903
  151    H    MET  18           H        MET  18   4.941  -6.259   7.720
  152    HA   MET  18           HA       MET  18   4.191  -8.131   5.663
  153   1HB   MET  18          2HB       MET  18   3.409  -6.177   4.452
  154   2HB   MET  18          1HB       MET  18   2.881  -6.093   6.121
  155   1HG   MET  18          2HG       MET  18   4.510  -4.441   6.643
  156   2HG   MET  18          1HG       MET  18   5.304  -4.646   5.085
  157   1HE   MET  18          1HE       MET  18   2.204  -3.254   7.003
  158   2HE   MET  18          2HE       MET  18   1.469  -4.444   5.929
  159   3HE   MET  18          3HE       MET  18   1.160  -2.726   5.683
  160    H    LEU  19           H        LEU  19   6.769  -8.627   5.992
  161    HA   LEU  19           HA       LEU  19   8.700  -7.051   4.815
  162   1HB   LEU  19          2HB       LEU  19   8.575 -10.059   4.928
  163   2HB   LEU  19          1HB       LEU  19  10.014  -9.117   4.599
  164    HG   LEU  19           HG       LEU  19   8.450  -9.080   7.180
  165   1HD1  LEU  19          1HD1      LEU  19  11.144 -10.258   6.512
  166   2HD1  LEU  19          2HD1      LEU  19   9.670 -11.158   6.874
  167   3HD1  LEU  19          3HD1      LEU  19  10.429 -10.170   8.123
  168   1HD2  LEU  19          1HD2      LEU  19   9.474  -6.915   6.686
  169   2HD2  LEU  19          2HD2      LEU  19  11.033  -7.705   6.444
  170   3HD2  LEU  19          3HD2      LEU  19  10.277  -7.714   8.037
  171    H    GLU  20           H        GLU  20   6.636  -9.478   3.218
  172    HA   GLU  20           HA       GLU  20   7.987  -9.144   0.702
  173   1HB   GLU  20          2HB       GLU  20   5.403 -10.542   1.401
  174   2HB   GLU  20          1HB       GLU  20   6.100 -10.521  -0.213
  175   1HG   GLU  20          2HG       GLU  20   8.186 -11.523   0.853
  176   2HG   GLU  20          1HG       GLU  20   7.174 -11.824   2.265
  177    H    LEU  21           H        LEU  21   5.459  -7.507   2.329
  178    HA   LEU  21           HA       LEU  21   4.313  -6.416  -0.105
  179   1HB   LEU  21          2HB       LEU  21   3.745  -5.785   2.791
  180   2HB   LEU  21          1HB       LEU  21   2.862  -5.128   1.433
  181    HG   LEU  21           HG       LEU  21   2.958  -8.045   2.207
  182   1HD1  LEU  21          1HD1      LEU  21   0.636  -7.744   2.844
  183   2HD1  LEU  21          2HD1      LEU  21   0.723  -6.034   2.423
  184   3HD1  LEU  21          3HD1      LEU  21   1.673  -6.660   3.771
  185   1HD2  LEU  21          1HD2      LEU  21   1.214  -8.312   0.503
  186   2HD2  LEU  21          2HD2      LEU  21   2.736  -7.758  -0.196
  187   3HD2  LEU  21          3HD2      LEU  21   1.413  -6.619   0.046
  188    H    ASP  22           H        ASP  22   6.638  -5.608   2.310
  189    HA   ASP  22           HA       ASP  22   6.866  -2.867   2.142
  190   1HB   ASP  22          2HB       ASP  22   8.166  -4.167   3.706
  191   2HB   ASP  22          1HB       ASP  22   9.008  -4.991   2.400
  192    H    VAL  23           H        VAL  23   8.299  -5.306   0.034
  193    HA   VAL  23           HA       VAL  23   9.700  -3.492  -1.634
  194    HB   VAL  23           HB       VAL  23   8.804  -6.303  -2.286
  195   1HG1  VAL  23          1HG1      VAL  23  11.006  -4.587  -3.428
  196   2HG1  VAL  23          2HG1      VAL  23   9.535  -5.105  -4.252
  197   3HG1  VAL  23          3HG1      VAL  23  10.756  -6.293  -3.800
  198   1HG2  VAL  23          1HG2      VAL  23  10.057  -6.269  -0.200
  199   2HG2  VAL  23          2HG2      VAL  23  11.351  -5.357  -0.978
  200   3HG2  VAL  23          3HG2      VAL  23  11.007  -7.011  -1.486
  201    H    VAL  24           H        VAL  24   6.437  -4.664  -1.588
  202    HA   VAL  24           HA       VAL  24   5.929  -3.952  -4.357
  203    HB   VAL  24           HB       VAL  24   4.001  -4.936  -2.242
  204   1HG1  VAL  24          1HG1      VAL  24   2.840  -3.739  -4.008
  205   2HG1  VAL  24          2HG1      VAL  24   2.534  -5.471  -4.144
  206   3HG1  VAL  24          3HG1      VAL  24   3.680  -4.692  -5.233
  207   1HG2  VAL  24          1HG2      VAL  24   5.405  -6.436  -4.453
  208   2HG2  VAL  24          2HG2      VAL  24   4.194  -7.108  -3.361
  209   3HG2  VAL  24          3HG2      VAL  24   5.750  -6.571  -2.729
  210    H    ILE  25           H        ILE  25   4.937  -2.852  -1.134
  211    HA   ILE  25           HA       ILE  25   3.160  -0.852  -2.084
  212    HB   ILE  25           HB       ILE  25   4.467  -1.193   0.620
  213   1HG1  ILE  25          2HG1      ILE  25   1.681  -1.875  -0.354
  214   2HG1  ILE  25          1HG1      ILE  25   2.977  -3.037  -0.079
  215   1HG2  ILE  25          1HG2      ILE  25   3.793   1.132   0.281
  216   2HG2  ILE  25          2HG2      ILE  25   2.779   0.339   1.485
  217   3HG2  ILE  25          3HG2      ILE  25   2.165   0.606  -0.146
  218   1HD1  ILE  25          1HD1      ILE  25   2.985  -2.460   2.289
  219   2HD1  ILE  25          2HD1      ILE  25   1.403  -3.030   1.759
  220   3HD1  ILE  25          3HD1      ILE  25   1.680  -1.306   2.015
  221    H    MET  26           H        MET  26   6.580  -0.860  -1.300
  222    HA   MET  26           HA       MET  26   7.033   1.807  -0.813
  223   1HB   MET  26          2HB       MET  26   8.712   0.052  -0.544
  224   2HB   MET  26          1HB       MET  26   8.846  -0.106  -2.288
  225   1HG   MET  26          2HG       MET  26   9.719   2.148  -2.449
  226   2HG   MET  26          1HG       MET  26   9.518   2.369  -0.711
  227   1HE   MET  26          1HE       MET  26  10.351  -0.598   0.275
  228   2HE   MET  26          2HE       MET  26  10.815   0.886   1.106
  229   3HE   MET  26          3HE       MET  26  12.041  -0.312   0.690
  230    HA   PRO  27           HA       PRO  27   7.652   2.843  -5.469
  231   1HB   PRO  27          2HB       PRO  27   6.488   0.628  -6.990
  232   2HB   PRO  27          1HB       PRO  27   8.075   1.383  -7.155
  233   1HG   PRO  27          2HG       PRO  27   7.773  -1.116  -6.192
  234   2HG   PRO  27          1HG       PRO  27   9.055  -0.033  -5.620
  235   1HD   PRO  27          2HD       PRO  27   6.429  -0.702  -4.340
  236   2HD   PRO  27          1HD       PRO  27   8.037  -0.545  -3.597
  237    H    PHE  28           H        PHE  28   4.826   0.958  -4.575
  238    HA   PHE  28           HA       PHE  28   2.994   2.242  -6.331
  239   1HB   PHE  28          2HB       PHE  28   2.581   0.689  -3.770
  240   2HB   PHE  28          1HB       PHE  28   1.252   1.332  -4.722
  241    HD1  PHE  28           1HD      PHE  28   4.207   0.046  -6.441
  242    HD2  PHE  28           2HD      PHE  28   0.328  -0.905  -4.966
  243    HE1  PHE  28           1HE      PHE  28   4.203  -2.010  -7.789
  244    HE2  PHE  28           2HE      PHE  28   0.319  -2.965  -6.312
  245    HZ   PHE  28           HZ       PHE  28   2.260  -3.519  -7.723
  246    H    PHE  29           H        PHE  29   3.914   2.742  -2.963
  247    HA   PHE  29           HA       PHE  29   2.131   4.770  -2.284
  248   1HB   PHE  29          2HB       PHE  29   3.565   3.623  -0.658
  249   2HB   PHE  29          1HB       PHE  29   4.990   4.363  -1.373
  250    HD1  PHE  29           2HD      PHE  29   1.857   5.106   0.452
  251    HD2  PHE  29           1HD      PHE  29   5.722   6.480  -0.685
  252    HE1  PHE  29           2HE      PHE  29   1.631   7.007   1.996
  253    HE2  PHE  29           1HE      PHE  29   5.504   8.384   0.860
  254    HZ   PHE  29           HZ       PHE  29   3.456   8.650   2.204
  255    H    GLU  30           H        GLU  30   5.228   4.951  -3.961
  256    HA   GLU  30           HA       GLU  30   5.574   7.726  -3.817
  257   1HB   GLU  30          2HB       GLU  30   6.525   5.857  -5.993
  258   2HB   GLU  30          1HB       GLU  30   7.181   7.447  -5.626
  259   1HG   GLU  30          2HG       GLU  30   7.390   6.267  -3.226
  260   2HG   GLU  30          1HG       GLU  30   7.592   4.875  -4.284
  261    H    GLU  31           H        GLU  31   3.922   5.733  -6.221
  262    HA   GLU  31           HA       GLU  31   3.323   8.064  -7.832
  263   1HB   GLU  31          2HB       GLU  31   2.106   6.421  -9.289
  264   2HB   GLU  31          1HB       GLU  31   3.823   6.113  -9.079
  265   1HG   GLU  31          2HG       GLU  31   3.310   4.393  -7.426
  266   2HG   GLU  31          1HG       GLU  31   1.588   4.699  -7.648
  267    H    CYS  32           H        CYS  32   1.611   5.953  -5.588
  268    HA   CYS  32           HA       CYS  32  -0.970   7.032  -6.282
  269   1HB   CYS  32          2HB       CYS  32  -0.128   5.219  -4.014
  270   2HB   CYS  32          1HB       CYS  32  -1.794   5.633  -4.405
  271    HG   CYS  32           HG       CYS  32   0.027   4.315  -6.916
  272    H    PHE  33           H        PHE  33   1.531   7.861  -4.056
  273    HA   PHE  33           HA       PHE  33   0.118   9.034  -1.977
  274   1HB   PHE  33          2HB       PHE  33   2.495   8.708  -1.808
  275   2HB   PHE  33          1HB       PHE  33   2.790   9.803  -3.150
  276    HD1  PHE  33           1HD      PHE  33   1.382   9.681   0.288
  277    HD2  PHE  33           2HD      PHE  33   3.207  12.057  -2.735
  278    HE1  PHE  33           1HE      PHE  33   1.593  11.542   1.883
  279    HE2  PHE  33           2HE      PHE  33   3.419  13.924  -1.146
  280    HZ   PHE  33           HZ       PHE  33   2.612  13.664   1.168
  281    H    ASP  34           H        ASP  34   0.845  10.325  -5.155
  282    HA   ASP  34           HA       ASP  34   0.265  13.014  -4.699
  283   1HB   ASP  34          2HB       ASP  34   1.248  12.096  -6.795
  284   2HB   ASP  34          1HB       ASP  34  -0.338  11.460  -7.222
  285    H    SER  35           H        SER  35  -1.894  10.289  -5.309
  286    HA   SER  35           HA       SER  35  -4.212  12.071  -5.216
  287   1HB   SER  35          2HB       SER  35  -4.097   9.094  -5.747
  288   2HB   SER  35          1HB       SER  35  -5.505  10.140  -5.945
  289    HG   SER  35           HG       SER  35  -3.184   9.934  -7.508
  290    H    LEU  36           H        LEU  36  -2.322  10.346  -3.095
  291    HA   LEU  36           HA       LEU  36  -4.388   9.481  -1.296
  292   1HB   LEU  36          2HB       LEU  36  -1.411   9.817  -0.931
  293   2HB   LEU  36          1HB       LEU  36  -2.475   9.264   0.345
  294    HG   LEU  36           HG       LEU  36  -1.988   7.848  -2.277
  295   1HD1  LEU  36          1HD1      LEU  36  -0.855   6.179  -0.912
  296   2HD1  LEU  36          2HD1      LEU  36  -1.138   7.148   0.533
  297   3HD1  LEU  36          3HD1      LEU  36  -0.077   7.753  -0.738
  298   1HD2  LEU  36          1HD2      LEU  36  -3.314   6.048  -1.346
  299   2HD2  LEU  36          2HD2      LEU  36  -4.269   7.528  -1.418
  300   3HD2  LEU  36          3HD2      LEU  36  -3.599   6.986   0.121
  301    H    THR  37           H        THR  37  -5.683  11.080  -0.573
  302    HA   THR  37           HA       THR  37  -4.752  13.641   0.244
  303    HB   THR  37           HB       THR  37  -6.968  13.948   1.234
  304    HG1  THR  37           1HG      THR  37  -8.372  11.886   0.759
  305   1HG2  THR  37          1HG2      THR  37  -6.788  14.205  -1.188
  306   2HG2  THR  37          2HG2      THR  37  -8.360  13.535  -0.753
  307   3HG2  THR  37          3HG2      THR  37  -7.104  12.484  -1.408
  308    H    GLU  38           H        GLU  38  -5.204  14.350   2.613
  309    HA   GLU  38           HA       GLU  38  -3.467  13.007   4.342
  310   1HB   GLU  38          2HB       GLU  38  -5.794  14.772   5.143
  311   2HB   GLU  38          1HB       GLU  38  -4.368  14.420   6.103
  312   1HG   GLU  38          2HG       GLU  38  -4.558  16.065   3.600
  313   2HG   GLU  38          1HG       GLU  38  -4.093  16.594   5.215
  314    H    SER  39           H        SER  39  -6.939  12.814   3.937
  315    HA   SER  39           HA       SER  39  -7.515  11.052   6.028
  316   1HB   SER  39          2HB       SER  39  -8.947  11.384   3.384
  317   2HB   SER  39          1HB       SER  39  -9.618  10.691   4.857
  318    HG   SER  39           HG       SER  39  -9.881  13.112   4.250
  319    H    GLU  40           H        GLU  40  -6.865  10.365   2.563
  320    HA   GLU  40           HA       GLU  40  -7.063   7.565   2.718
  321   1HB   GLU  40          2HB       GLU  40  -5.089   9.075   0.986
  322   2HB   GLU  40          1HB       GLU  40  -5.765   7.485   0.681
  323   1HG   GLU  40          2HG       GLU  40  -7.386  10.014   0.725
  324   2HG   GLU  40          1HG       GLU  40  -6.674   9.324  -0.729
  325    H    GLN  41           H        GLN  41  -4.354   9.756   3.224
  326    HA   GLN  41           HA       GLN  41  -2.371   7.844   3.755
  327   1HB   GLN  41          2HB       GLN  41  -2.720  10.731   4.012
  328   2HB   GLN  41          1HB       GLN  41  -1.673  10.062   5.250
  329   1HG   GLN  41          2HG       GLN  41  -1.270   9.474   2.335
  330   2HG   GLN  41          1HG       GLN  41  -0.599  10.910   3.103
  331   1HE2  GLN  41          1HE2      GLN  41  -0.881   7.840   4.775
  332   2HE2  GLN  41          2HE2      GLN  41   0.812   7.513   4.839
  333    H    ASP  42           H        ASP  42  -4.729   9.426   5.849
  334    HA   ASP  42           HA       ASP  42  -3.601   8.656   8.318
  335   1HB   ASP  42          2HB       ASP  42  -5.291  10.446   8.052
  336   2HB   ASP  42          1HB       ASP  42  -6.499   9.225   7.664
  337    H    ASP  43           H        ASP  43  -6.167   7.227   6.350
  338    HA   ASP  43           HA       ASP  43  -6.777   5.047   7.990
  339   1HB   ASP  43          2HB       ASP  43  -7.035   5.573   5.044
  340   2HB   ASP  43          1HB       ASP  43  -7.469   4.002   5.702
  341    H    PHE  44           H        PHE  44  -4.382   5.439   5.454
  342    HA   PHE  44           HA       PHE  44  -3.458   2.767   5.417
  343   1HB   PHE  44          2HB       PHE  44  -3.129   4.494   3.621
  344   2HB   PHE  44          1HB       PHE  44  -1.944   5.275   4.657
  345    HD1  PHE  44           2HD      PHE  44  -2.552   1.709   3.734
  346    HD2  PHE  44           1HD      PHE  44   0.139   4.997   3.783
  347    HE1  PHE  44           2HE      PHE  44  -0.795   0.281   2.772
  348    HE2  PHE  44           1HE      PHE  44   1.901   3.578   2.818
  349    HZ   PHE  44           HZ       PHE  44   1.434   1.218   2.310
  350    H    VAL  45           H        VAL  45  -2.315   5.675   7.128
  351    HA   VAL  45           HA       VAL  45  -0.047   4.467   8.306
  352    HB   VAL  45           HB       VAL  45  -1.645   6.882   9.170
  353   1HG1  VAL  45          1HG1      VAL  45   1.032   5.935  10.188
  354   2HG1  VAL  45          2HG1      VAL  45  -0.478   5.946  11.099
  355   3HG1  VAL  45          3HG1      VAL  45   0.256   7.467  10.592
  356   1HG2  VAL  45          1HG2      VAL  45   0.288   8.116   8.249
  357   2HG2  VAL  45          2HG2      VAL  45  -0.557   7.161   7.030
  358   3HG2  VAL  45          3HG2      VAL  45   0.970   6.586   7.698
  359    H    ALA  46           H        ALA  46  -3.385   4.830   9.412
  360    HA   ALA  46           HA       ALA  46  -3.057   3.887  12.024
  361   1HB   ALA  46          1HB       ALA  46  -5.454   3.435  11.989
  362   2HB   ALA  46          2HB       ALA  46  -5.462   3.593  10.232
  363   3HB   ALA  46          3HB       ALA  46  -5.087   4.990  11.240
  364    H    LEU  47           H        LEU  47  -3.640   2.144   9.005
  365    HA   LEU  47           HA       LEU  47  -3.862  -0.428  10.160
  366   1HB   LEU  47          2HB       LEU  47  -3.532   0.687   7.455
  367   2HB   LEU  47          1HB       LEU  47  -2.975  -0.959   7.663
  368    HG   LEU  47           HG       LEU  47  -5.760   0.060   8.213
  369   1HD1  LEU  47          1HD1      LEU  47  -6.377  -1.387   6.332
  370   2HD1  LEU  47          2HD1      LEU  47  -4.672  -1.744   6.060
  371   3HD1  LEU  47          3HD1      LEU  47  -5.273  -0.100   5.847
  372   1HD2  LEU  47          1HD2      LEU  47  -6.339  -2.274   8.626
  373   2HD2  LEU  47          2HD2      LEU  47  -5.123  -1.716   9.775
  374   3HD2  LEU  47          3HD2      LEU  47  -4.649  -2.739   8.419
  375    H    LEU  48           H        LEU  48  -1.128   1.291   8.726
  376    HA   LEU  48           HA       LEU  48   0.645  -0.820   8.477
  377   1HB   LEU  48          2HB       LEU  48   1.181   2.107   8.898
  378   2HB   LEU  48          1HB       LEU  48   2.421   0.944   8.472
  379    HG   LEU  48           HG       LEU  48   0.010   1.628   6.788
  380   1HD1  LEU  48          1HD1      LEU  48   1.622   2.714   5.321
  381   2HD1  LEU  48          2HD1      LEU  48   2.919   2.341   6.456
  382   3HD1  LEU  48          3HD1      LEU  48   1.629   3.448   6.924
  383   1HD2  LEU  48          1HD2      LEU  48   1.130   0.304   5.060
  384   2HD2  LEU  48          2HD2      LEU  48   0.731  -0.679   6.468
  385   3HD2  LEU  48          3HD2      LEU  48   2.390  -0.136   6.211
  386    H    GLU  49           H        GLU  49  -0.244   0.710  11.442
  387    HA   GLU  49           HA       GLU  49   2.242   0.576  12.753
  388   1HB   GLU  49          2HB       GLU  49  -0.555   0.577  13.865
  389   2HB   GLU  49          1HB       GLU  49   0.882   0.609  14.879
  390   1HG   GLU  49          2HG       GLU  49   1.528   2.647  13.379
  391   2HG   GLU  49          1HG       GLU  49  -0.207   2.702  13.068
  392    H    SER  50           H        SER  50  -0.466  -1.769  12.826
  393    HA   SER  50           HA       SER  50   1.418  -3.926  12.974
  394   1HB   SER  50          2HB       SER  50  -0.474  -3.474  15.265
  395   2HB   SER  50          1HB       SER  50   0.510  -4.898  15.031
  396    HG   SER  50           HG       SER  50   2.028  -2.669  14.928
  397    H    ASP  51           H        ASP  51   0.649  -5.208  11.544
  398    HA   ASP  51           HA       ASP  51  -0.600  -6.791  10.522
  399   1HB   ASP  51          2HB       ASP  51  -1.179  -7.498  12.817
  400   2HB   ASP  51          1HB       ASP  51  -2.564  -6.411  12.782
  401    H    ASP  52           H        ASP  52  -1.629  -6.579   8.708
  402    HA   ASP  52           HA       ASP  52  -3.712  -4.501   8.448
  403   1HB   ASP  52          2HB       ASP  52  -1.706  -5.458   6.393
  404   2HB   ASP  52          1HB       ASP  52  -3.000  -4.307   6.077
  405    HA   PRO  53           HA       PRO  53  -5.617  -8.592   7.436
  406   1HB   PRO  53          2HB       PRO  53  -7.927  -8.219   8.795
  407   2HB   PRO  53          1HB       PRO  53  -6.455  -8.814   9.567
  408   1HG   PRO  53          2HG       PRO  53  -7.629  -6.065   9.582
  409   2HG   PRO  53          1HG       PRO  53  -6.848  -6.959  10.899
  410   1HD   PRO  53          2HD       PRO  53  -5.605  -5.020   9.420
  411   2HD   PRO  53          1HD       PRO  53  -4.752  -6.343  10.233
  412    H    ASP  54           H        ASP  54  -7.311  -5.467   7.639
  413    HA   ASP  54           HA       ASP  54  -9.293  -5.957   5.727
  414   1HB   ASP  54          2HB       ASP  54  -7.956  -3.295   6.283
  415   2HB   ASP  54          1HB       ASP  54  -9.563  -3.546   5.608
  416    H    LEU  55           H        LEU  55  -6.061  -4.596   5.422
  417    HA   LEU  55           HA       LEU  55  -6.103  -3.987   2.690
  418   1HB   LEU  55          2HB       LEU  55  -4.321  -3.731   4.755
  419   2HB   LEU  55          1HB       LEU  55  -3.554  -4.971   3.788
  420    HG   LEU  55           HG       LEU  55  -4.309  -2.206   2.848
  421   1HD1  LEU  55          1HD1      LEU  55  -2.413  -2.223   4.374
  422   2HD1  LEU  55          2HD1      LEU  55  -1.909  -1.827   2.732
  423   3HD1  LEU  55          3HD1      LEU  55  -1.614  -3.441   3.380
  424   1HD2  LEU  55          1HD2      LEU  55  -4.501  -3.797   1.025
  425   2HD2  LEU  55          2HD2      LEU  55  -2.902  -4.441   1.391
  426   3HD2  LEU  55          3HD2      LEU  55  -3.073  -2.788   0.802
  427    H    PHE  56           H        PHE  56  -4.977  -6.869   4.410
  428    HA   PHE  56           HA       PHE  56  -4.045  -8.316   2.207
  429   1HB   PHE  56          2HB       PHE  56  -3.531  -8.793   4.594
  430   2HB   PHE  56          1HB       PHE  56  -5.174  -9.376   4.811
  431    HD1  PHE  56           1HD      PHE  56  -2.569  -9.976   2.201
  432    HD2  PHE  56           2HD      PHE  56  -5.171 -11.628   5.133
  433    HE1  PHE  56           1HE      PHE  56  -1.819 -12.235   1.586
  434    HE2  PHE  56           2HE      PHE  56  -4.427 -13.893   4.525
  435    HZ   PHE  56           HZ       PHE  56  -2.747 -14.198   2.746
  436    H    ALA  57           H        ALA  57  -7.251  -8.152   3.674
  437    HA   ALA  57           HA       ALA  57  -8.332 -10.347   2.211
  438   1HB   ALA  57          1HB       ALA  57 -10.463  -9.689   3.135
  439   2HB   ALA  57          2HB       ALA  57  -9.808  -8.122   3.608
  440   3HB   ALA  57          3HB       ALA  57  -9.220  -9.592   4.384
  441    H    TRP  58           H        TRP  58  -8.464  -6.810   1.735
  442    HA   TRP  58           HA       TRP  58 -10.344  -7.024  -0.388
  443   1HB   TRP  58          2HB       TRP  58  -8.635  -4.785   0.628
  444   2HB   TRP  58          1HB       TRP  58  -9.537  -4.611  -0.877
  445    HD1  TRP  58           HD       TRP  58 -10.262  -5.603   2.789
  446    HE1  TRP  58           1HE      TRP  58 -12.584  -4.693   3.425
  447    HE3  TRP  58           3HE      TRP  58 -11.610  -3.623  -1.730
  448    HZ2  TRP  58           2HZ      TRP  58 -14.716  -3.327   2.160
  449    HZ3  TRP  58           3HZ      TRP  58 -13.816  -2.542  -1.935
  450    HH2  TRP  58           HH       TRP  58 -15.333  -2.402  -0.028
  451    H    VAL  59           H        VAL  59  -6.850  -7.100  -0.238
  452    HA   VAL  59           HA       VAL  59  -6.403  -6.683  -3.014
  453    HB   VAL  59           HB       VAL  59  -4.663  -8.043  -0.950
  454   1HG1  VAL  59          1HG1      VAL  59  -4.058  -8.848  -3.157
  455   2HG1  VAL  59          2HG1      VAL  59  -2.820  -7.749  -2.550
  456   3HG1  VAL  59          3HG1      VAL  59  -3.974  -7.195  -3.763
  457   1HG2  VAL  59          1HG2      VAL  59  -3.397  -5.951  -1.004
  458   2HG2  VAL  59          2HG2      VAL  59  -5.067  -5.685  -0.509
  459   3HG2  VAL  59          3HG2      VAL  59  -4.558  -5.276  -2.147
  460    H    MET  60           H        MET  60  -6.882  -9.608  -1.048
  461    HA   MET  60           HA       MET  60  -6.381 -11.359  -3.278
  462   1HB   MET  60          2HB       MET  60  -6.934 -13.172  -1.819
  463   2HB   MET  60          1HB       MET  60  -5.987 -12.017  -0.891
  464   1HG   MET  60          2HG       MET  60  -7.904 -11.236   0.260
  465   2HG   MET  60          1HG       MET  60  -8.989 -12.098  -0.826
  466   1HE   MET  60          1HE       MET  60  -6.264 -14.133   2.293
  467   2HE   MET  60          2HE       MET  60  -6.414 -12.387   2.108
  468   3HE   MET  60          3HE       MET  60  -5.642 -13.345   0.843
  469    H    GLY  61           H        GLY  61  -9.117  -9.692  -2.007
  470   1HA   GLY  61          2HA       GLY  61 -11.044  -9.326  -3.372
  471   2HA   GLY  61          1HA       GLY  61 -10.745 -10.872  -4.154
  472    H    HIS  62           H        HIS  62 -10.635 -10.453  -0.702
  473    HA   HIS  62           HA       HIS  62 -13.272 -11.738  -0.423
  474   1HB   HIS  62          2HB       HIS  62 -11.162 -13.267  -0.114
  475   2HB   HIS  62          1HB       HIS  62 -10.984 -12.415   1.415
  476    HD1  HIS  62           1HD      HIS  62 -12.688 -12.953   3.285
  477    HD2  HIS  62           2HD      HIS  62 -13.332 -15.023  -0.266
  478    HE1  HIS  62           1HE      HIS  62 -14.354 -14.755   3.839
  479    HE2  HIS  62           2HE      HIS  62 -14.839 -15.900   1.642
  480    H    GLY  63           H        GLY  63 -12.931  -9.069  -0.332
  481   1HA   GLY  63          2HA       GLY  63 -12.019  -8.196   2.267
  482   2HA   GLY  63          1HA       GLY  63 -12.509  -7.175   0.929
  483    H    ARG  64           H        ARG  64 -14.325  -6.122   1.133
  484    HA   ARG  64           HA       ARG  64 -16.083  -5.151   2.142
  485   1HB   ARG  64          2HB       ARG  64 -16.593  -7.918   3.203
  486   2HB   ARG  64          1HB       ARG  64 -17.618  -6.549   3.579
  487   1HG   ARG  64          2HG       ARG  64 -18.070  -6.242   1.188
  488   2HG   ARG  64          1HG       ARG  64 -17.085  -7.665   0.837
  489   1HD   ARG  64          2HD       ARG  64 -18.592  -9.093   1.992
  490   2HD   ARG  64          1HD       ARG  64 -19.471  -7.725   2.673
  491    HE   ARG  64           HE       ARG  64 -20.231  -7.242   0.380
  492   1HH1  ARG  64          1HH1      ARG  64 -19.009 -10.440   1.086
  493   2HH1  ARG  64          2HH1      ARG  64 -19.943 -11.211  -0.165
  494   1HH2  ARG  64          1HH2      ARG  64 -21.464  -8.241  -1.254
  495   2HH2  ARG  64          2HH2      ARG  64 -21.318  -9.958  -1.506
  496    H    CYS  65           H        CYS  65 -16.255  -3.887   3.869
  497    HA   CYS  65           HA       CYS  65 -14.958  -4.533   6.364
  498   1HB   CYS  65          2HB       CYS  65 -13.029  -3.895   4.985
  499   2HB   CYS  65          1HB       CYS  65 -13.823  -2.385   4.553
  500    HG   CYS  65           HG       CYS  65 -11.863  -3.033   7.103
  501    H    GLU  66           H        GLU  66 -15.112  -2.695   7.892
  502    HA   GLU  66           HA       GLU  66 -17.714  -1.495   7.734
  503   1HB   GLU  66          2HB       GLU  66 -15.519  -1.152   9.784
  504   2HB   GLU  66          1HB       GLU  66 -17.197  -0.664   9.978
  505   1HG   GLU  66          2HG       GLU  66 -16.205  -3.486   9.633
  506   2HG   GLU  66          1HG       GLU  66 -16.743  -2.747  11.142
  507    H    ASN  67           H        ASN  67 -14.395  -0.469   7.329
  508    HA   ASN  67           HA       ASN  67 -15.322   2.287   6.871
  509   1HB   ASN  67          2HB       ASN  67 -13.822   2.246   8.740
  510   2HB   ASN  67          1HB       ASN  67 -12.677   1.225   7.878
  511   1HD2  ASN  67          1HD2      ASN  67 -10.997   2.646   8.161
  512   2HD2  ASN  67          2HD2      ASN  67 -10.874   4.136   7.281
  513    H    LEU  68           H        LEU  68 -15.472   2.706   4.768
  514    HA   LEU  68           HA       LEU  68 -14.111   1.114   2.823
  515   1HB   LEU  68          2HB       LEU  68 -15.888   3.526   2.596
  516   2HB   LEU  68          1HB       LEU  68 -15.133   2.781   1.202
  517    HG   LEU  68           HG       LEU  68 -17.177   1.549   3.048
  518   1HD1  LEU  68          1HD1      LEU  68 -18.044   3.061   1.329
  519   2HD1  LEU  68          2HD1      LEU  68 -18.505   1.388   1.013
  520   3HD1  LEU  68          3HD1      LEU  68 -17.199   2.131   0.090
  521   1HD2  LEU  68          1HD2      LEU  68 -15.654   0.256   0.786
  522   2HD2  LEU  68          2HD2      LEU  68 -16.997  -0.465   1.671
  523   3HD2  LEU  68          3HD2      LEU  68 -15.478  -0.121   2.499
  524    H    GLY  69           H        GLY  69 -13.293   3.933   4.531
  525   1HA   GLY  69          2HA       GLY  69 -11.583   5.220   2.721
  526   2HA   GLY  69          1HA       GLY  69 -11.388   5.222   4.470
  527    H    LEU  70           H        LEU  70 -11.051   2.487   4.868
  528    HA   LEU  70           HA       LEU  70  -8.339   2.051   4.343
  529   1HB   LEU  70          2HB       LEU  70 -10.547   0.101   5.017
  530   2HB   LEU  70          1HB       LEU  70  -8.838  -0.299   5.033
  531    HG   LEU  70           HG       LEU  70 -10.177   1.745   6.807
  532   1HD1  LEU  70          1HD1      LEU  70  -9.759   0.144   8.605
  533   2HD1  LEU  70          2HD1      LEU  70  -9.120  -1.010   7.436
  534   3HD1  LEU  70          3HD1      LEU  70 -10.819  -0.541   7.372
  535   1HD2  LEU  70          1HD2      LEU  70  -8.035   1.805   7.982
  536   2HD2  LEU  70          2HD2      LEU  70  -7.862   2.323   6.304
  537   3HD2  LEU  70          3HD2      LEU  70  -7.346   0.707   6.785
  538    H    ALA  71           H        ALA  71 -11.257   0.908   2.730
  539    HA   ALA  71           HA       ALA  71  -9.951  -0.778   0.861
  540   1HB   ALA  71          1HB       ALA  71 -12.671   0.498   0.685
  541   2HB   ALA  71          2HB       ALA  71 -12.307  -1.019   1.505
  542   3HB   ALA  71          3HB       ALA  71 -12.098  -0.890  -0.241
  543    H    ALA  72           H        ALA  72 -10.777   2.604   0.910
  544    HA   ALA  72           HA       ALA  72 -10.719   3.196  -1.807
  545   1HB   ALA  72          1HB       ALA  72 -11.508   4.756  -0.104
  546   2HB   ALA  72          2HB       ALA  72 -10.288   5.499  -1.139
  547   3HB   ALA  72          3HB       ALA  72  -9.857   4.958   0.483
  548    H    MET  73           H        MET  73  -8.039   3.190   0.544
  549    HA   MET  73           HA       MET  73  -6.136   3.956  -1.447
  550   1HB   MET  73          2HB       MET  73  -4.431   3.577   0.268
  551   2HB   MET  73          1HB       MET  73  -5.754   4.558   0.873
  552   1HG   MET  73          2HG       MET  73  -5.370   3.157   2.636
  553   2HG   MET  73          1HG       MET  73  -6.656   2.303   1.786
  554   1HE   MET  73          1HE       MET  73  -4.582   1.103   3.990
  555   2HE   MET  73          2HE       MET  73  -4.290  -0.492   3.298
  556   3HE   MET  73          3HE       MET  73  -5.922   0.180   3.313
  557    H    VAL  74           H        VAL  74  -7.376   0.925  -0.282
  558    HA   VAL  74           HA       VAL  74  -5.312  -0.733  -1.309
  559    HB   VAL  74           HB       VAL  74  -8.207  -1.408  -0.741
  560   1HG1  VAL  74          1HG1      VAL  74  -5.858  -3.244  -1.196
  561   2HG1  VAL  74          2HG1      VAL  74  -7.204  -2.995  -2.307
  562   3HG1  VAL  74          3HG1      VAL  74  -7.486  -3.740  -0.733
  563   1HG2  VAL  74          1HG2      VAL  74  -7.343  -2.379   1.325
  564   2HG2  VAL  74          2HG2      VAL  74  -6.981  -0.655   1.229
  565   3HG2  VAL  74          3HG2      VAL  74  -5.718  -1.842   0.902
  566    H    ASP  75           H        ASP  75  -8.353   0.482  -2.646
  567    HA   ASP  75           HA       ASP  75  -8.445  -1.067  -4.977
  568   1HB   ASP  75          2HB       ASP  75 -10.319   0.341  -4.164
  569   2HB   ASP  75          1HB       ASP  75  -9.423   1.781  -4.637
  570    H    LYS  76           H        LYS  76  -6.714   1.888  -4.245
  571    HA   LYS  76           HA       LYS  76  -5.850   2.539  -6.842
  572   1HB   LYS  76          2HB       LYS  76  -4.193   3.007  -4.368
  573   2HB   LYS  76          1HB       LYS  76  -4.289   3.990  -5.823
  574   1HG   LYS  76          2HG       LYS  76  -6.552   4.664  -5.240
  575   2HG   LYS  76          1HG       LYS  76  -6.493   3.651  -3.797
  576   1HD   LYS  76          2HD       LYS  76  -4.450   5.019  -3.129
  577   2HD   LYS  76          1HD       LYS  76  -4.916   6.133  -4.413
  578   1HE   LYS  76          2HE       LYS  76  -6.611   5.343  -2.045
  579   2HE   LYS  76          1HE       LYS  76  -5.758   6.866  -2.250
  580   1HZ   LYS  76          1HZ       LYS  76  -7.135   7.301  -4.213
  581   2HZ   LYS  76          2HZ       LYS  76  -8.053   7.151  -2.794
  582   3HZ   LYS  76          3HZ       LYS  76  -8.008   5.880  -3.913
  583    H    ILE  77           H        ILE  77  -4.561   0.386  -4.374
  584    HA   ILE  77           HA       ILE  77  -2.164  -0.316  -5.734
  585    HB   ILE  77           HB       ILE  77  -3.729  -1.843  -3.637
  586   1HG1  ILE  77          2HG1      ILE  77  -1.333  -0.015  -3.353
  587   2HG1  ILE  77          1HG1      ILE  77  -2.985   0.413  -2.933
  588   1HG2  ILE  77          1HG2      ILE  77  -1.610  -3.019  -3.195
  589   2HG2  ILE  77          2HG2      ILE  77  -0.893  -2.207  -4.588
  590   3HG2  ILE  77          3HG2      ILE  77  -2.232  -3.331  -4.817
  591   1HD1  ILE  77          1HD1      ILE  77  -1.689  -0.176  -0.959
  592   2HD1  ILE  77          2HD1      ILE  77  -1.358  -1.765  -1.650
  593   3HD1  ILE  77          3HD1      ILE  77  -3.008  -1.320  -1.219
  594    H    VAL  78           H        VAL  78  -5.436  -1.632  -5.637
  595    HA   VAL  78           HA       VAL  78  -5.019  -3.979  -7.108
  596    HB   VAL  78           HB       VAL  78  -7.504  -2.249  -7.027
  597   1HG1  VAL  78          1HG1      VAL  78  -7.215  -5.154  -7.771
  598   2HG1  VAL  78          2HG1      VAL  78  -7.520  -3.832  -8.897
  599   3HG1  VAL  78          3HG1      VAL  78  -8.724  -4.245  -7.677
  600   1HG2  VAL  78          1HG2      VAL  78  -6.784  -2.950  -4.812
  601   2HG2  VAL  78          2HG2      VAL  78  -6.720  -4.627  -5.352
  602   3HG2  VAL  78          3HG2      VAL  78  -8.268  -3.780  -5.283
  603    H    ALA  79           H        ALA  79  -5.810  -0.690  -8.163
  604    HA   ALA  79           HA       ALA  79  -6.090  -1.138 -10.888
  605   1HB   ALA  79          1HB       ALA  79  -6.631   0.986  -9.790
  606   2HB   ALA  79          2HB       ALA  79  -5.573   1.224 -11.181
  607   3HB   ALA  79          3HB       ALA  79  -4.912   1.296  -9.546
  608    H    HIS  80           H        HIS  80  -3.154  -0.582  -8.979
  609    HA   HIS  80           HA       HIS  80  -1.440  -0.591 -11.260
  610   1HB   HIS  80          2HB       HIS  80  -0.869   0.467  -9.041
  611   2HB   HIS  80          1HB       HIS  80  -0.604  -1.156  -8.413
  612    HD1  HIS  80           1HD      HIS  80   1.256   1.570  -9.747
  613    HD2  HIS  80           2HD      HIS  80   1.407  -2.564 -10.256
  614    HE1  HIS  80           1HE      HIS  80   3.554   1.068 -10.638
  615    HE2  HIS  80           2HE      HIS  80   3.668  -1.444 -10.808
  616    H    ASN  81           H        ASN  81  -2.485  -3.101  -8.955
  617    HA   ASN  81           HA       ASN  81  -0.651  -5.023  -9.969
  618   1HB   ASN  81          2HB       ASN  81  -1.663  -6.654  -8.613
  619   2HB   ASN  81          1HB       ASN  81  -1.755  -5.163  -7.703
  620   1HD2  ASN  81          1HD2      ASN  81  -3.359  -5.814  -6.405
  621   2HD2  ASN  81          2HD2      ASN  81  -4.985  -6.101  -6.919
  622    H    LEU  82           H        LEU  82  -3.923  -4.127 -10.837
  623    HA   LEU  82           HA       LEU  82  -4.486  -6.094 -12.719
  624   1HB   LEU  82          2HB       LEU  82  -5.978  -4.207 -11.961
  625   2HB   LEU  82          1HB       LEU  82  -5.077  -3.149 -13.026
  626    HG   LEU  82           HG       LEU  82  -5.763  -4.610 -14.942
  627   1HD1  LEU  82          1HD1      LEU  82  -6.242  -6.640 -13.717
  628   2HD1  LEU  82          2HD1      LEU  82  -7.682  -6.102 -14.582
  629   3HD1  LEU  82          3HD1      LEU  82  -7.544  -5.832 -12.843
  630   1HD2  LEU  82          1HD2      LEU  82  -8.043  -3.729 -15.050
  631   2HD2  LEU  82          2HD2      LEU  82  -6.906  -2.513 -14.470
  632   3HD2  LEU  82          3HD2      LEU  82  -7.972  -3.336 -13.333
  633    H    SER  83           H        SER  83  -2.512  -3.206 -12.946
  634    HA   SER  83           HA       SER  83  -1.861  -3.467 -15.698
  635   1HB   SER  83          2HB       SER  83  -0.358  -2.018 -13.499
  636   2HB   SER  83          1HB       SER  83  -0.146  -1.778 -15.234
  637    HG   SER  83           HG       SER  83  -2.373  -1.121 -13.614
  638    H    LYS  84           H        LYS  84  -0.490  -4.737 -12.725
  639    HA   LYS  84           HA       LYS  84   1.897  -5.771 -13.844
  640   1HB   LYS  84          2HB       LYS  84   0.289  -6.602 -11.428
  641   2HB   LYS  84          1HB       LYS  84   1.785  -7.398 -11.886
  642   1HG   LYS  84          2HG       LYS  84   2.934  -5.190 -11.691
  643   2HG   LYS  84          1HG       LYS  84   1.424  -4.529 -11.058
  644   1HD   LYS  84          2HD       LYS  84   3.009  -5.182  -9.276
  645   2HD   LYS  84          1HD       LYS  84   1.482  -6.063  -9.195
  646   1HE   LYS  84          2HE       LYS  84   2.522  -7.976 -10.308
  647   2HE   LYS  84          1HE       LYS  84   4.044  -7.093 -10.412
  648   1HZ   LYS  84          1HZ       LYS  84   4.247  -7.115  -8.054
  649   2HZ   LYS  84          2HZ       LYS  84   3.923  -8.704  -8.556
  650   3HZ   LYS  84          3HZ       LYS  84   2.693  -7.769  -7.853
  651    H    VAL  85           H        VAL  85  -1.384  -6.971 -13.607
  652    HA   VAL  85           HA       VAL  85  -0.825  -9.618 -14.452
  653    HB   VAL  85           HB       VAL  85  -3.429  -8.089 -14.658
  654   1HG1  VAL  85          1HG1      VAL  85  -2.870 -11.050 -14.725
  655   2HG1  VAL  85          2HG1      VAL  85  -3.461 -10.058 -16.059
  656   3HG1  VAL  85          3HG1      VAL  85  -4.472 -10.320 -14.637
  657   1HG2  VAL  85          1HG2      VAL  85  -2.601  -8.147 -12.367
  658   2HG2  VAL  85          2HG2      VAL  85  -2.411  -9.898 -12.470
  659   3HG2  VAL  85          3HG2      VAL  85  -4.020  -9.179 -12.550
  660    H    ARG  86           H        ARG  86  -1.653  -6.645 -16.170
  661    HA   ARG  86           HA       ARG  86  -1.927  -7.993 -18.700
  662   1HB   ARG  86          2HB       ARG  86  -2.346  -5.843 -19.641
  663   2HB   ARG  86          1HB       ARG  86  -3.142  -5.901 -18.081
  664   1HG   ARG  86          2HG       ARG  86  -1.313  -4.615 -17.096
  665   2HG   ARG  86          1HG       ARG  86  -0.542  -4.524 -18.682
  666   1HD   ARG  86          2HD       ARG  86  -2.486  -3.335 -19.565
  667   2HD   ARG  86          1HD       ARG  86  -3.279  -3.449 -17.995
  668    HE   ARG  86           HE       ARG  86  -0.699  -2.141 -17.959
  669   1HH1  ARG  86          1HH1      ARG  86  -4.166  -1.716 -18.312
  670   2HH1  ARG  86          2HH1      ARG  86  -4.133  -0.052 -17.807
  671   1HH2  ARG  86          1HH2      ARG  86  -0.672   0.073 -17.329
  672   2HH2  ARG  86          2HH2      ARG  86  -2.166   0.957 -17.273
  673    H    LEU  87           H        LEU  87   0.638  -6.768 -16.864
  674    HA   LEU  87           HA       LEU  87   2.476  -6.593 -19.107
  675   1HB   LEU  87          2HB       LEU  87   2.753  -4.974 -17.351
  676   2HB   LEU  87          1HB       LEU  87   2.820  -6.233 -16.133
  677    HG   LEU  87           HG       LEU  87   4.945  -7.029 -17.156
  678   1HD1  LEU  87          1HD1      LEU  87   4.740  -4.477 -18.746
  679   2HD1  LEU  87          2HD1      LEU  87   4.667  -6.116 -19.393
  680   3HD1  LEU  87          3HD1      LEU  87   6.157  -5.523 -18.658
  681   1HD2  LEU  87          1HD2      LEU  87   4.917  -4.171 -16.204
  682   2HD2  LEU  87          2HD2      LEU  87   6.322  -5.237 -16.223
  683   3HD2  LEU  87          3HD2      LEU  87   4.947  -5.608 -15.181
  684    H    GLU  88           H        GLU  88   1.997  -8.546 -16.206
  685    HA   GLU  88           HA       GLU  88   2.802 -10.515 -15.488
  686   1HB   GLU  88          2HB       GLU  88   2.220 -11.007 -18.357
  687   2HB   GLU  88          1HB       GLU  88   3.091 -12.249 -17.473
  688   1HG   GLU  88          2HG       GLU  88   1.206 -12.053 -15.744
  689   2HG   GLU  88          1HG       GLU  88   0.324 -11.213 -17.020
  690    H    HIS  89           H        HIS  89   4.447 -11.195 -18.461
  691    HA   HIS  89           HA       HIS  89   7.030 -10.644 -17.251
  692   1HB   HIS  89          2HB       HIS  89   7.715 -13.076 -17.778
  693   2HB   HIS  89          1HB       HIS  89   6.782 -12.775 -16.319
  694    HD1  HIS  89           1HD      HIS  89   6.477 -14.298 -19.756
  695    HD2  HIS  89           2HD      HIS  89   4.299 -13.994 -16.224
  696    HE1  HIS  89           1HE      HIS  89   4.553 -15.897 -20.003
  697    HE2  HIS  89           2HE      HIS  89   3.136 -15.526 -17.955
  698    H    HIS  90           H        HIS  90   5.865  -9.455 -19.489
  699    HA   HIS  90           HA       HIS  90   6.899 -10.477 -21.913
  700   1HB   HIS  90          2HB       HIS  90   6.260  -7.682 -20.988
  701   2HB   HIS  90          1HB       HIS  90   6.955  -7.981 -22.577
  702    HD1  HIS  90           1HD      HIS  90   3.793  -8.295 -20.634
  703    HD2  HIS  90           2HD      HIS  90   5.228  -9.236 -24.419
  704    HE1  HIS  90           1HE      HIS  90   1.768  -8.857 -22.001
  705    HE2  HIS  90           2HE      HIS  90   2.641  -9.217 -24.335
  706    H    HIS  91           H        HIS  91   8.272  -8.556 -19.338
  707    HA   HIS  91           HA       HIS  91  10.926  -9.360 -20.302
  708   1HB   HIS  91          2HB       HIS  91  11.898  -7.327 -19.294
  709   2HB   HIS  91          1HB       HIS  91  10.766  -6.929 -20.576
  710    HD1  HIS  91           1HD      HIS  91  11.010  -6.909 -16.787
  711    HD2  HIS  91           2HD      HIS  91   8.722  -5.264 -19.847
  712    HE1  HIS  91           1HE      HIS  91   9.557  -5.180 -15.694
  713    HE2  HIS  91           2HE      HIS  91   8.371  -4.037 -17.594
  714    H    HIS  92           H        HIS  92  12.294 -10.203 -18.690
  715    HA   HIS  92           HA       HIS  92  11.045 -10.501 -16.051
  716   1HB   HIS  92          2HB       HIS  92  10.326 -12.428 -17.358
  717   2HB   HIS  92          1HB       HIS  92  11.999 -12.809 -17.752
  718    HD1  HIS  92           1HD      HIS  92  13.154 -14.378 -16.226
  719    HD2  HIS  92           2HD      HIS  92   9.781 -12.691 -14.469
  720    HE1  HIS  92           1HE      HIS  92  12.897 -15.531 -14.004
  721    HE2  HIS  92           2HE      HIS  92  10.942 -14.386 -12.894
  722    H    HIS  93           H        HIS  93  12.402 -10.008 -14.541
  723    HA   HIS  93           HA       HIS  93  14.810 -11.411 -14.141
  724   1HB   HIS  93          2HB       HIS  93  16.400  -9.500 -14.098
  725   2HB   HIS  93          1HB       HIS  93  15.820  -9.855 -15.718
  726    HD1  HIS  93           1HD      HIS  93  15.353  -7.822 -17.007
  727    HD2  HIS  93           2HD      HIS  93  14.714  -7.232 -12.936
  728    HE1  HIS  93           1HE      HIS  93  14.671  -5.408 -16.764
  729    HE2  HIS  93           2HE      HIS  93  14.430  -5.041 -14.278
  730    H    HIS  94           H        HIS  94  15.746 -10.882 -12.011
  731    HA   HIS  94           HA       HIS  94  13.660 -10.110 -10.196
  732   1HB   HIS  94          2HB       HIS  94  15.111 -10.787  -8.412
  733   2HB   HIS  94          1HB       HIS  94  15.249 -11.977  -9.696
  734    HD1  HIS  94           1HD      HIS  94  17.188  -9.508  -7.731
  735    HD2  HIS  94           2HD      HIS  94  17.776 -11.967 -11.041
  736    HE1  HIS  94           1HE      HIS  94  19.677  -9.598  -8.080
  737    HE2  HIS  94           2HE      HIS  94  20.021 -11.088 -10.083
  Start of MODEL    5
    1   1H    MET   1          1HT       MET   1   0.474  18.044   6.216
    2   2H    MET   1          2HT       MET   1   0.508  19.706   5.872
    3   3H    MET   1          3HT       MET   1   1.522  19.071   7.071
    4    HA   MET   1           HA       MET   1   1.657  18.432   4.182
    5   1HB   MET   1          2HB       MET   1   2.336  20.760   4.786
    6   2HB   MET   1          1HB       MET   1   3.544  20.089   5.873
    7   1HG   MET   1          2HG       MET   1   4.531  20.789   3.768
    8   2HG   MET   1          1HG       MET   1   4.677  19.047   3.992
    9   1HE   MET   1          1HE       MET   1   4.293  19.315   0.130
   10   2HE   MET   1          2HE       MET   1   5.285  18.751   1.476
   11   3HE   MET   1          3HE       MET   1   5.120  20.480   1.165
   12    H    TYR   2           H        TYR   2   2.060  17.246   7.247
   13    HA   TYR   2           HA       TYR   2   3.241  15.586   8.225
   14   1HB   TYR   2          2HB       TYR   2   3.849  14.875   5.364
   15   2HB   TYR   2          1HB       TYR   2   4.360  13.896   6.732
   16    HD1  TYR   2           2HD      TYR   2   2.592  12.939   8.252
   17    HD2  TYR   2           1HD      TYR   2   1.669  14.665   4.483
   18    HE1  TYR   2           2HE      TYR   2   0.426  11.781   8.260
   19    HE2  TYR   2           1HE      TYR   2  -0.501  13.512   4.483
   20    HH   TYR   2           HH       TYR   2  -1.800  12.054   7.230
   21    H    THR   3           H        THR   3   4.802  16.395   9.403
   22    HA   THR   3           HA       THR   3   6.977  17.890   8.369
   23    HB   THR   3           HB       THR   3   7.828  17.850  10.699
   24    HG1  THR   3           1HG      THR   3   6.436  16.774  12.274
   25   1HG2  THR   3          1HG2      THR   3   5.918  18.998  11.749
   26   2HG2  THR   3          2HG2      THR   3   4.871  18.408  10.459
   27   3HG2  THR   3          3HG2      THR   3   6.179  19.532  10.090
   28    H    ALA   4           H        ALA   4   9.247  17.323   8.945
   29    HA   ALA   4           HA       ALA   4  10.043  14.844   7.844
   30   1HB   ALA   4          1HB       ALA   4  12.299  15.443   8.592
   31   2HB   ALA   4          2HB       ALA   4  11.630  16.742   9.580
   32   3HB   ALA   4          3HB       ALA   4  11.498  16.813   7.823
   33    H    GLU   5           H        GLU   5   9.470  15.959  11.095
   34    HA   GLU   5           HA       GLU   5  10.446  13.679  12.472
   35   1HB   GLU   5          2HB       GLU   5   9.960  16.058  13.312
   36   2HB   GLU   5          1HB       GLU   5   8.285  15.541  13.425
   37   1HG   GLU   5          2HG       GLU   5  10.422  13.949  14.754
   38   2HG   GLU   5          1HG       GLU   5   9.842  15.437  15.484
   39    H    GLN   6           H        GLN   6   7.289  14.651  11.234
   40    HA   GLN   6           HA       GLN   6   5.834  12.459  12.291
   41   1HB   GLN   6          2HB       GLN   6   4.842  14.626  11.580
   42   2HB   GLN   6          1HB       GLN   6   5.175  14.200   9.909
   43   1HG   GLN   6          2HG       GLN   6   3.606  12.422   9.965
   44   2HG   GLN   6          1HG       GLN   6   3.419  12.559  11.714
   45   1HE2  GLN   6          1HE2      GLN   6   1.174  12.855  11.487
   46   2HE2  GLN   6          2HE2      GLN   6   0.515  14.357  10.933
   47    H    LYS   7           H        LYS   7   7.673  12.942   9.365
   48    HA   LYS   7           HA       LYS   7   6.835  10.804   7.807
   49   1HB   LYS   7          2HB       LYS   7   9.592  11.978   8.150
   50   2HB   LYS   7          1HB       LYS   7   9.216  10.752   6.952
   51   1HG   LYS   7          2HG       LYS   7   8.098  13.541   7.107
   52   2HG   LYS   7          1HG       LYS   7   9.212  12.898   5.901
   53   1HD   LYS   7          2HD       LYS   7   7.361  11.195   5.385
   54   2HD   LYS   7          1HD       LYS   7   6.302  12.280   6.286
   55   1HE   LYS   7          2HE       LYS   7   7.873  12.902   3.793
   56   2HE   LYS   7          1HE       LYS   7   6.122  12.810   3.961
   57   1HZ   LYS   7          1HZ       LYS   7   6.673  15.077   3.944
   58   2HZ   LYS   7          2HZ       LYS   7   7.950  14.875   5.039
   59   3HZ   LYS   7          3HZ       LYS   7   6.349  14.718   5.567
   60    H    ALA   8           H        ALA   8   8.769  10.791  10.706
   61    HA   ALA   8           HA       ALA   8  10.171   8.409  10.383
   62   1HB   ALA   8          1HB       ALA   8  10.679  10.034  12.124
   63   2HB   ALA   8          2HB       ALA   8  10.453   8.423  12.805
   64   3HB   ALA   8          3HB       ALA   8   9.175   9.629  12.950
   65    H    ARG   9           H        ARG   9   6.972   8.912  11.928
   66    HA   ARG   9           HA       ARG   9   6.676   6.229  12.746
   67   1HB   ARG   9          2HB       ARG   9   4.636   8.379  12.205
   68   2HB   ARG   9          1HB       ARG   9   4.198   6.786  12.809
   69   1HG   ARG   9          2HG       ARG   9   5.568   7.139  14.778
   70   2HG   ARG   9          1HG       ARG   9   6.065   8.716  14.169
   71   1HD   ARG   9          2HD       ARG   9   4.328   9.008  15.808
   72   2HD   ARG   9          1HD       ARG   9   3.713   9.441  14.217
   73    HE   ARG   9           HE       ARG   9   3.070   6.752  14.687
   74   1HH1  ARG   9          1HH1      ARG   9   2.273   9.947  15.911
   75   2HH1  ARG   9          2HH1      ARG   9   0.689   9.480  16.451
   76   1HH2  ARG   9          1HH2      ARG   9   0.976   6.149  15.366
   77   2HH2  ARG   9          2HH2      ARG   9  -0.056   7.329  16.132
   78    H    ILE  10           H        ILE  10   6.011   7.833   9.738
   79    HA   ILE  10           HA       ILE  10   4.512   5.737   8.529
   80    HB   ILE  10           HB       ILE  10   6.226   7.802   7.138
   81   1HG1  ILE  10          2HG1      ILE  10   3.306   7.999   7.912
   82   2HG1  ILE  10          1HG1      ILE  10   4.619   8.828   8.742
   83   1HG2  ILE  10          1HG2      ILE  10   5.511   6.000   5.686
   84   2HG2  ILE  10          2HG2      ILE  10   4.647   7.483   5.279
   85   3HG2  ILE  10          3HG2      ILE  10   3.838   6.215   6.200
   86   1HD1  ILE  10          1HD1      ILE  10   3.790   9.237   5.877
   87   2HD1  ILE  10          2HD1      ILE  10   5.129  10.052   6.685
   88   3HD1  ILE  10          3HD1      ILE  10   3.474  10.326   7.227
   89    H    LYS  11           H        LYS  11   7.912   6.716   8.348
   90    HA   LYS  11           HA       LYS  11   8.688   4.708   6.510
   91   1HB   LYS  11          2HB       LYS  11   9.859   6.862   6.826
   92   2HB   LYS  11          1HB       LYS  11  10.397   6.317   8.408
   93   1HG   LYS  11          2HG       LYS  11  11.772   4.637   7.458
   94   2HG   LYS  11          1HG       LYS  11  11.073   4.881   5.856
   95   1HD   LYS  11          2HD       LYS  11  12.007   7.134   5.781
   96   2HD   LYS  11          1HD       LYS  11  12.682   6.916   7.393
   97   1HE   LYS  11          2HE       LYS  11  14.139   5.173   6.602
   98   2HE   LYS  11          1HE       LYS  11  13.384   5.212   5.011
   99   1HZ   LYS  11          1HZ       LYS  11  15.566   6.428   5.250
  100   2HZ   LYS  11          2HZ       LYS  11  14.726   7.581   6.169
  101   3HZ   LYS  11          3HZ       LYS  11  14.289   7.310   4.555
  102    H    TRP  12           H        TRP  12   8.824   4.907  10.045
  103    HA   TRP  12           HA       TRP  12  10.357   2.558  10.449
  104   1HB   TRP  12          2HB       TRP  12   8.503   4.140  12.218
  105   2HB   TRP  12          1HB       TRP  12   9.230   2.640  12.774
  106    HD1  TRP  12           HD       TRP  12  10.737   5.728  10.948
  107    HE1  TRP  12           1HE      TRP  12  12.838   6.460  12.245
  108    HE3  TRP  12           3HE      TRP  12  10.585   2.277  14.711
  109    HZ2  TRP  12           2HZ      TRP  12  14.244   5.659  14.574
  110    HZ3  TRP  12           3HZ      TRP  12  12.343   2.318  16.431
  111    HH2  TRP  12           HH       TRP  12  14.135   3.975  16.363
  112    H    ALA  13           H        ALA  13   7.054   3.060   9.610
  113    HA   ALA  13           HA       ALA  13   6.378   0.294  10.371
  114   1HB   ALA  13          1HB       ALA  13   4.535   2.648   9.974
  115   2HB   ALA  13          2HB       ALA  13   5.036   1.963  11.524
  116   3HB   ALA  13          3HB       ALA  13   4.050   1.012  10.414
  117    H    CYS  14           H        CYS  14   7.721   1.302   7.894
  118    HA   CYS  14           HA       CYS  14   5.930   1.300   5.728
  119   1HB   CYS  14          2HB       CYS  14   8.204   2.180   5.554
  120   2HB   CYS  14          1HB       CYS  14   8.862   0.563   5.790
  121    HG   CYS  14           HG       CYS  14   7.222  -0.192   3.361
  122    H    ARG  15           H        ARG  15   7.337  -1.271   7.550
  123    HA   ARG  15           HA       ARG  15   6.928  -3.493   7.649
  124   1HB   ARG  15          2HB       ARG  15   4.951  -3.124   5.391
  125   2HB   ARG  15          1HB       ARG  15   5.085  -4.515   6.456
  126   1HG   ARG  15          2HG       ARG  15   4.681  -2.649   8.307
  127   2HG   ARG  15          1HG       ARG  15   3.881  -1.857   6.947
  128   1HD   ARG  15          2HD       ARG  15   2.221  -3.127   8.073
  129   2HD   ARG  15          1HD       ARG  15   2.610  -3.999   6.589
  130    HE   ARG  15           HE       ARG  15   4.247  -4.974   8.643
  131   1HH1  ARG  15          1HH1      ARG  15   0.851  -4.996   7.702
  132   2HH1  ARG  15          2HH1      ARG  15   0.529  -6.488   8.553
  133   1HH2  ARG  15          1HH2      ARG  15   3.778  -6.926   9.743
  134   2HH2  ARG  15          2HH2      ARG  15   2.158  -7.552   9.710
  135    H    ARG  16           H        ARG  16   7.159  -5.533   6.366
  136    HA   ARG  16           HA       ARG  16   8.586  -5.264   3.828
  137   1HB   ARG  16          2HB       ARG  16   9.811  -6.338   6.363
  138   2HB   ARG  16          1HB       ARG  16  10.378  -6.832   4.778
  139   1HG   ARG  16          2HG       ARG  16  10.364  -4.027   5.865
  140   2HG   ARG  16          1HG       ARG  16  11.773  -5.075   5.677
  141   1HD   ARG  16          2HD       ARG  16  11.393  -5.123   3.251
  142   2HD   ARG  16          1HD       ARG  16  10.011  -4.046   3.455
  143    HE   ARG  16           HE       ARG  16  12.741  -3.237   4.217
  144   1HH1  ARG  16          1HH1      ARG  16   9.714  -2.662   2.553
  145   2HH1  ARG  16          2HH1      ARG  16  10.165  -1.054   2.050
  146   1HH2  ARG  16          1HH2      ARG  16  13.328  -1.123   3.565
  147   2HH2  ARG  16          2HH2      ARG  16  12.204  -0.184   2.625
  148    H    GLY  17           H        GLY  17   6.109  -6.465   5.033
  149   1HA   GLY  17          2HA       GLY  17   6.271  -9.181   5.510
  150   2HA   GLY  17          1HA       GLY  17   4.833  -8.359   4.943
  151    H    MET  18           H        MET  18   5.811  -7.620   2.331
  152    HA   MET  18           HA       MET  18   6.274 -10.197   1.061
  153   1HB   MET  18          2HB       MET  18   3.877 -10.266   1.490
  154   2HB   MET  18          1HB       MET  18   3.671  -8.690   0.743
  155   1HG   MET  18          2HG       MET  18   2.939 -10.360  -0.786
  156   2HG   MET  18          1HG       MET  18   4.431  -9.657  -1.402
  157   1HE   MET  18          1HE       MET  18   4.551 -13.417  -2.580
  158   2HE   MET  18          2HE       MET  18   4.541 -11.734  -3.103
  159   3HE   MET  18          3HE       MET  18   3.094 -12.443  -2.386
  160    H    LEU  19           H        LEU  19   7.431  -9.928  -0.757
  161    HA   LEU  19           HA       LEU  19   8.397  -7.450  -1.561
  162   1HB   LEU  19          2HB       LEU  19   8.239 -10.048  -3.080
  163   2HB   LEU  19          1HB       LEU  19   9.142  -8.655  -3.625
  164    HG   LEU  19           HG       LEU  19   9.672 -10.198  -1.089
  165   1HD1  LEU  19          1HD1      LEU  19  10.281 -11.462  -3.067
  166   2HD1  LEU  19          2HD1      LEU  19  11.728 -10.892  -2.236
  167   3HD1  LEU  19          3HD1      LEU  19  11.174 -10.081  -3.700
  168   1HD2  LEU  19          1HD2      LEU  19  11.163  -7.895  -2.340
  169   2HD2  LEU  19          2HD2      LEU  19  11.698  -8.829  -0.943
  170   3HD2  LEU  19          3HD2      LEU  19  10.239  -7.845  -0.840
  171    H    GLU  20           H        GLU  20   5.789  -9.388  -3.018
  172    HA   GLU  20           HA       GLU  20   5.224  -7.741  -5.191
  173   1HB   GLU  20          2HB       GLU  20   3.534  -9.628  -3.586
  174   2HB   GLU  20          1HB       GLU  20   2.835  -8.688  -4.897
  175   1HG   GLU  20          2HG       GLU  20   5.169 -10.566  -5.169
  176   2HG   GLU  20          1HG       GLU  20   3.499 -10.940  -5.590
  177    H    LEU  21           H        LEU  21   4.354  -7.398  -1.833
  178    HA   LEU  21           HA       LEU  21   2.513  -5.223  -2.283
  179   1HB   LEU  21          2HB       LEU  21   3.718  -6.533   0.134
  180   2HB   LEU  21          1HB       LEU  21   2.960  -4.965   0.296
  181    HG   LEU  21           HG       LEU  21   1.504  -6.890   0.925
  182   1HD1  LEU  21          1HD1      LEU  21  -0.483  -6.066  -0.166
  183   2HD1  LEU  21          2HD1      LEU  21   0.495  -5.273  -1.405
  184   3HD1  LEU  21          3HD1      LEU  21   0.574  -4.720   0.269
  185   1HD2  LEU  21          1HD2      LEU  21   0.478  -8.210  -0.874
  186   2HD2  LEU  21          2HD2      LEU  21   2.207  -8.511  -0.726
  187   3HD2  LEU  21          3HD2      LEU  21   1.599  -7.488  -2.027
  188    H    ASP  22           H        ASP  22   5.732  -5.580  -0.837
  189    HA   ASP  22           HA       ASP  22   6.265  -2.949  -0.237
  190   1HB   ASP  22          2HB       ASP  22   7.958  -5.325  -0.828
  191   2HB   ASP  22          1HB       ASP  22   8.744  -3.755  -0.740
  192    H    VAL  23           H        VAL  23   6.893  -4.612  -3.322
  193    HA   VAL  23           HA       VAL  23   8.397  -2.447  -4.393
  194    HB   VAL  23           HB       VAL  23   8.280  -3.597  -6.548
  195   1HG1  VAL  23          1HG1      VAL  23   9.948  -4.297  -4.921
  196   2HG1  VAL  23          2HG1      VAL  23   9.398  -5.668  -5.884
  197   3HG1  VAL  23          3HG1      VAL  23   8.809  -5.453  -4.234
  198   1HG2  VAL  23          1HG2      VAL  23   6.397  -5.490  -5.147
  199   2HG2  VAL  23          2HG2      VAL  23   7.109  -5.754  -6.740
  200   3HG2  VAL  23          3HG2      VAL  23   5.997  -4.409  -6.481
  201    H    VAL  24           H        VAL  24   4.987  -2.987  -4.183
  202    HA   VAL  24           HA       VAL  24   4.564  -1.007  -6.318
  203    HB   VAL  24           HB       VAL  24   2.257  -1.752  -6.455
  204   1HG1  VAL  24          1HG1      VAL  24   4.223  -4.033  -6.607
  205   2HG1  VAL  24          2HG1      VAL  24   3.881  -2.855  -7.874
  206   3HG1  VAL  24          3HG1      VAL  24   2.632  -3.995  -7.371
  207   1HG2  VAL  24          1HG2      VAL  24   2.995  -3.758  -4.328
  208   2HG2  VAL  24          2HG2      VAL  24   1.489  -3.745  -5.244
  209   3HG2  VAL  24          3HG2      VAL  24   1.870  -2.409  -4.157
  210    H    ILE  25           H        ILE  25   4.921  -1.011  -3.103
  211    HA   ILE  25           HA       ILE  25   2.774   0.938  -2.625
  212    HB   ILE  25           HB       ILE  25   4.537  -0.547  -0.672
  213   1HG1  ILE  25          2HG1      ILE  25   1.547  -0.635  -1.157
  214   2HG1  ILE  25          1HG1      ILE  25   2.705  -1.866  -1.655
  215   1HG2  ILE  25          1HG2      ILE  25   2.438   1.545  -0.113
  216   2HG2  ILE  25          2HG2      ILE  25   4.171   1.690   0.175
  217   3HG2  ILE  25          3HG2      ILE  25   3.219   0.532   1.105
  218   1HD1  ILE  25          1HD1      ILE  25   2.090  -1.078   1.185
  219   2HD1  ILE  25          2HD1      ILE  25   3.217  -2.335   0.676
  220   3HD1  ILE  25          3HD1      ILE  25   1.493  -2.515   0.355
  221    H    MET  26           H        MET  26   6.295   0.554  -2.088
  222    HA   MET  26           HA       MET  26   6.677   3.012  -0.838
  223   1HB   MET  26          2HB       MET  26   8.299   1.120  -0.849
  224   2HB   MET  26          1HB       MET  26   8.706   1.523  -2.510
  225   1HG   MET  26          2HG       MET  26   8.995   3.505  -0.276
  226   2HG   MET  26          1HG       MET  26  10.262   2.346  -0.677
  227   1HE   MET  26          1HE       MET  26  10.580   5.541  -0.617
  228   2HE   MET  26          2HE       MET  26  11.573   5.805  -2.048
  229   3HE   MET  26          3HE       MET  26  11.917   4.450  -0.972
  230    HA   PRO  27           HA       PRO  27   7.855   5.090  -4.989
  231   1HB   PRO  27          2HB       PRO  27   7.337   3.834  -7.331
  232   2HB   PRO  27          1HB       PRO  27   8.857   3.619  -6.455
  233   1HG   PRO  27          2HG       PRO  27   6.451   1.841  -6.546
  234   2HG   PRO  27          1HG       PRO  27   8.170   1.406  -6.597
  235   1HD   PRO  27          2HD       PRO  27   6.650   1.223  -4.348
  236   2HD   PRO  27          1HD       PRO  27   8.397   1.529  -4.319
  237    H    PHE  28           H        PHE  28   5.000   3.091  -4.847
  238    HA   PHE  28           HA       PHE  28   3.376   4.686  -6.546
  239   1HB   PHE  28          2HB       PHE  28   2.797   2.359  -6.086
  240   2HB   PHE  28          1HB       PHE  28   2.582   2.733  -4.379
  241    HD1  PHE  28           1HD      PHE  28   1.322   3.750  -7.734
  242    HD2  PHE  28           2HD      PHE  28   0.478   3.217  -3.593
  243    HE1  PHE  28           1HE      PHE  28  -1.042   4.286  -8.150
  244    HE2  PHE  28           2HE      PHE  28  -1.886   3.748  -4.005
  245    HZ   PHE  28           HZ       PHE  28  -2.648   4.282  -6.284
  246    H    PHE  29           H        PHE  29   4.019   4.645  -3.080
  247    HA   PHE  29           HA       PHE  29   2.096   6.502  -2.261
  248   1HB   PHE  29          2HB       PHE  29   3.466   5.206  -0.680
  249   2HB   PHE  29          1HB       PHE  29   4.899   6.094  -1.183
  250    HD1  PHE  29           2HD      PHE  29   1.575   6.507   0.407
  251    HD2  PHE  29           1HD      PHE  29   5.483   8.096  -0.137
  252    HE1  PHE  29           2HE      PHE  29   1.126   8.197   2.141
  253    HE2  PHE  29           1HE      PHE  29   5.042   9.791   1.589
  254    HZ   PHE  29           HZ       PHE  29   2.860   9.844   2.733
  255    H    GLU  30           H        GLU  30   5.283   6.952  -3.673
  256    HA   GLU  30           HA       GLU  30   5.409   9.759  -3.403
  257   1HB   GLU  30          2HB       GLU  30   6.674   8.062  -5.560
  258   2HB   GLU  30          1HB       GLU  30   7.192   9.658  -5.041
  259   1HG   GLU  30          2HG       GLU  30   7.477   8.541  -2.736
  260   2HG   GLU  30          1HG       GLU  30   7.472   7.039  -3.652
  261    H    GLU  31           H        GLU  31   4.201   7.639  -5.917
  262    HA   GLU  31           HA       GLU  31   3.591   9.681  -7.802
  263   1HB   GLU  31          2HB       GLU  31   2.455   6.893  -7.554
  264   2HB   GLU  31          1HB       GLU  31   2.286   7.939  -8.954
  265   1HG   GLU  31          2HG       GLU  31   4.739   7.890  -9.237
  266   2HG   GLU  31          1HG       GLU  31   4.838   6.750  -7.892
  267    H    CYS  32           H        CYS  32   1.596   7.824  -5.535
  268    HA   CYS  32           HA       CYS  32  -0.828   9.021  -6.459
  269   1HB   CYS  32          2HB       CYS  32  -0.431   6.668  -5.433
  270   2HB   CYS  32          1HB       CYS  32  -0.575   7.494  -3.887
  271    HG   CYS  32           HG       CYS  32  -3.002   7.541  -6.298
  272    H    PHE  33           H        PHE  33   1.494   9.808  -4.031
  273    HA   PHE  33           HA       PHE  33  -0.013  11.315  -2.248
  274   1HB   PHE  33          2HB       PHE  33   2.222  10.981  -1.642
  275   2HB   PHE  33          1HB       PHE  33   2.828  11.489  -3.211
  276    HD1  PHE  33           2HD      PHE  33   1.199  12.758  -0.122
  277    HD2  PHE  33           1HD      PHE  33   3.574  13.679  -3.530
  278    HE1  PHE  33           2HE      PHE  33   1.627  15.004   0.787
  279    HE2  PHE  33           1HE      PHE  33   4.011  15.923  -2.624
  280    HZ   PHE  33           HZ       PHE  33   3.035  16.589  -0.462
  281    H    ASP  34           H        ASP  34   1.191  12.127  -5.442
  282    HA   ASP  34           HA       ASP  34   0.578  14.875  -5.435
  283   1HB   ASP  34          2HB       ASP  34   2.000  13.986  -7.147
  284   2HB   ASP  34          1HB       ASP  34   0.761  12.853  -7.671
  285    H    SER  35           H        SER  35  -1.416  12.048  -5.924
  286    HA   SER  35           HA       SER  35  -3.641  13.656  -6.907
  287   1HB   SER  35          2HB       SER  35  -3.109  11.497  -8.004
  288   2HB   SER  35          1HB       SER  35  -3.432  10.665  -6.485
  289    HG   SER  35           HG       SER  35  -5.373  12.311  -7.736
  290    H    LEU  36           H        LEU  36  -2.650  11.850  -4.061
  291    HA   LEU  36           HA       LEU  36  -5.281  11.943  -2.867
  292   1HB   LEU  36          2HB       LEU  36  -2.653  11.040  -1.695
  293   2HB   LEU  36          1HB       LEU  36  -4.224  10.826  -0.953
  294    HG   LEU  36           HG       LEU  36  -3.248   9.535  -3.495
  295   1HD1  LEU  36          1HD1      LEU  36  -3.426   7.467  -2.221
  296   2HD1  LEU  36          2HD1      LEU  36  -3.926   8.378  -0.795
  297   3HD1  LEU  36          3HD1      LEU  36  -2.304   8.591  -1.454
  298   1HD2  LEU  36          1HD2      LEU  36  -5.380   8.305  -3.459
  299   2HD2  LEU  36          2HD2      LEU  36  -5.616  10.037  -3.693
  300   3HD2  LEU  36          3HD2      LEU  36  -5.924   9.310  -2.116
  301    H    THR  37           H        THR  37  -5.448  12.644  -0.560
  302    HA   THR  37           HA       THR  37  -3.893  15.083  -0.048
  303    HB   THR  37           HB       THR  37  -5.930  15.756   1.356
  304    HG1  THR  37           1HG      THR  37  -7.918  14.783   0.502
  305   1HG2  THR  37          1HG2      THR  37  -6.239  15.583  -1.641
  306   2HG2  THR  37          2HG2      THR  37  -5.349  16.830  -0.769
  307   3HG2  THR  37          3HG2      THR  37  -7.097  16.695  -0.574
  308    H    GLU  38           H        GLU  38  -3.890  15.605   2.383
  309    HA   GLU  38           HA       GLU  38  -2.534  13.523   3.695
  310   1HB   GLU  38          2HB       GLU  38  -3.716  16.086   4.751
  311   2HB   GLU  38          1HB       GLU  38  -2.681  15.026   5.694
  312   1HG   GLU  38          2HG       GLU  38  -0.949  15.298   3.949
  313   2HG   GLU  38          1HG       GLU  38  -1.978  16.489   3.168
  314    H    SER  39           H        SER  39  -5.875  14.583   3.902
  315    HA   SER  39           HA       SER  39  -6.762  13.109   6.061
  316   1HB   SER  39          2HB       SER  39  -8.304  13.439   3.482
  317   2HB   SER  39          1HB       SER  39  -8.942  13.334   5.121
  318    HG   SER  39           HG       SER  39  -8.924  15.483   4.398
  319    H    GLU  40           H        GLU  40  -6.383  12.075   2.689
  320    HA   GLU  40           HA       GLU  40  -7.236   9.389   3.128
  321   1HB   GLU  40          2HB       GLU  40  -5.514  10.526   0.916
  322   2HB   GLU  40          1HB       GLU  40  -6.346   8.980   0.883
  323   1HG   GLU  40          2HG       GLU  40  -7.701  11.661   1.057
  324   2HG   GLU  40          1HG       GLU  40  -7.484  10.723  -0.421
  325    H    GLN  41           H        GLN  41  -4.127  11.032   2.985
  326    HA   GLN  41           HA       GLN  41  -2.466   8.771   3.100
  327   1HB   GLN  41          2HB       GLN  41  -2.029  11.633   3.934
  328   2HB   GLN  41          1HB       GLN  41  -0.756  10.428   3.948
  329   1HG   GLN  41          2HG       GLN  41  -1.111  10.075   1.532
  330   2HG   GLN  41          1HG       GLN  41  -2.304  11.374   1.549
  331   1HE2  GLN  41          1HE2      GLN  41  -1.598  13.513   1.835
  332   2HE2  GLN  41          2HE2      GLN  41   0.054  13.959   1.614
  333    H    ASP  42           H        ASP  42  -3.935  10.732   5.618
  334    HA   ASP  42           HA       ASP  42  -2.580   9.807   7.863
  335   1HB   ASP  42          2HB       ASP  42  -4.054  11.686   8.045
  336   2HB   ASP  42          1HB       ASP  42  -5.431  10.737   7.504
  337    H    ASP  43           H        ASP  43  -5.490   8.548   6.321
  338    HA   ASP  43           HA       ASP  43  -5.986   6.446   8.128
  339   1HB   ASP  43          2HB       ASP  43  -7.551   7.374   6.361
  340   2HB   ASP  43          1HB       ASP  43  -6.646   6.433   5.181
  341    H    PHE  44           H        PHE  44  -4.070   6.629   5.168
  342    HA   PHE  44           HA       PHE  44  -3.286   3.918   5.082
  343   1HB   PHE  44          2HB       PHE  44  -3.053   5.328   3.133
  344   2HB   PHE  44          1HB       PHE  44  -1.964   6.411   3.992
  345    HD1  PHE  44           2HD      PHE  44  -2.267   2.873   2.863
  346    HD2  PHE  44           1HD      PHE  44   0.320   6.116   3.816
  347    HE1  PHE  44           2HE      PHE  44  -0.341   1.569   2.058
  348    HE2  PHE  44           1HE      PHE  44   2.248   4.820   3.009
  349    HZ   PHE  44           HZ       PHE  44   1.920   2.543   2.128
  350    H    VAL  45           H        VAL  45  -1.775   6.777   6.557
  351    HA   VAL  45           HA       VAL  45   0.596   5.510   7.403
  352    HB   VAL  45           HB       VAL  45  -0.806   7.920   8.565
  353   1HG1  VAL  45          1HG1      VAL  45   1.345   8.482   9.588
  354   2HG1  VAL  45          2HG1      VAL  45   2.021   6.962   9.003
  355   3HG1  VAL  45          3HG1      VAL  45   0.724   6.949  10.199
  356   1HG2  VAL  45          1HG2      VAL  45   1.468   7.692   6.600
  357   2HG2  VAL  45          2HG2      VAL  45   0.864   9.197   7.288
  358   3HG2  VAL  45          3HG2      VAL  45  -0.175   8.226   6.244
  359    H    ALA  46           H        ALA  46  -2.482   6.077   9.083
  360    HA   ALA  46           HA       ALA  46  -1.728   5.013  11.565
  361   1HB   ALA  46          1HB       ALA  46  -3.764   6.346  11.225
  362   2HB   ALA  46          2HB       ALA  46  -4.101   4.816  12.033
  363   3HB   ALA  46          3HB       ALA  46  -4.477   5.007  10.322
  364    H    LEU  47           H        LEU  47  -2.903   3.475   8.638
  365    HA   LEU  47           HA       LEU  47  -3.370   0.903   9.655
  366   1HB   LEU  47          2HB       LEU  47  -4.160   1.517   7.474
  367   2HB   LEU  47          1HB       LEU  47  -2.526   1.834   6.916
  368    HG   LEU  47           HG       LEU  47  -2.050  -0.624   7.318
  369   1HD1  LEU  47          1HD1      LEU  47  -3.973  -2.123   7.343
  370   2HD1  LEU  47          2HD1      LEU  47  -5.055  -0.735   7.468
  371   3HD1  LEU  47          3HD1      LEU  47  -3.930  -1.101   8.777
  372   1HD2  LEU  47          1HD2      LEU  47  -3.031  -1.290   5.190
  373   2HD2  LEU  47          2HD2      LEU  47  -2.355   0.334   5.096
  374   3HD2  LEU  47          3HD2      LEU  47  -4.099   0.112   5.233
  375    H    LEU  48           H        LEU  48  -0.428   2.447   8.476
  376    HA   LEU  48           HA       LEU  48   1.110   0.152   8.087
  377   1HB   LEU  48          2HB       LEU  48   1.964   2.956   8.790
  378   2HB   LEU  48          1HB       LEU  48   3.061   1.692   8.265
  379    HG   LEU  48           HG       LEU  48   0.805   2.859   6.632
  380   1HD1  LEU  48          1HD1      LEU  48   3.796   3.144   6.376
  381   2HD1  LEU  48          2HD1      LEU  48   2.674   4.397   6.904
  382   3HD1  LEU  48          3HD1      LEU  48   2.597   3.784   5.252
  383   1HD2  LEU  48          1HD2      LEU  48   2.900   0.825   5.874
  384   2HD2  LEU  48          2HD2      LEU  48   1.680   1.518   4.805
  385   3HD2  LEU  48          3HD2      LEU  48   1.191   0.485   6.149
  386    H    GLU  49           H        GLU  49   0.511   2.000  11.016
  387    HA   GLU  49           HA       GLU  49   2.543   0.646  12.536
  388   1HB   GLU  49          2HB       GLU  49   0.205   2.304  13.493
  389   2HB   GLU  49          1HB       GLU  49   1.564   1.784  14.478
  390   1HG   GLU  49          2HG       GLU  49   3.063   3.085  12.968
  391   2HG   GLU  49          1HG       GLU  49   1.621   3.707  12.165
  392    H    SER  50           H        SER  50  -0.558  -0.104  11.486
  393    HA   SER  50           HA       SER  50  -1.040  -2.044  13.628
  394   1HB   SER  50          2HB       SER  50  -2.838  -0.415  12.644
  395   2HB   SER  50          1HB       SER  50  -2.879  -1.548  11.291
  396    HG   SER  50           HG       SER  50  -4.102  -1.735  13.641
  397    H    ASP  51           H        ASP  51  -2.550  -3.819  11.831
  398    HA   ASP  51           HA       ASP  51  -0.342  -4.860  10.208
  399   1HB   ASP  51          2HB       ASP  51  -1.188  -6.127  12.434
  400   2HB   ASP  51          1HB       ASP  51  -2.306  -6.814  11.260
  401    H    ASP  52           H        ASP  52  -1.302  -6.604   8.615
  402    HA   ASP  52           HA       ASP  52  -3.635  -5.325   7.331
  403   1HB   ASP  52          2HB       ASP  52  -1.159  -6.372   5.934
  404   2HB   ASP  52          1HB       ASP  52  -2.566  -5.664   5.151
  405    HA   PRO  53           HA       PRO  53  -4.063  -9.969   7.601
  406   1HB   PRO  53          2HB       PRO  53  -6.591  -9.614   8.963
  407   2HB   PRO  53          1HB       PRO  53  -5.122 -10.387   9.559
  408   1HG   PRO  53          2HG       PRO  53  -6.104  -8.023  10.538
  409   2HG   PRO  53          1HG       PRO  53  -4.394  -8.485  10.601
  410   1HD   PRO  53          2HD       PRO  53  -5.795  -6.647   8.701
  411   2HD   PRO  53          1HD       PRO  53  -4.188  -6.494   9.444
  412    H    ASP  54           H        ASP  54  -6.947  -7.890   7.439
  413    HA   ASP  54           HA       ASP  54  -8.231  -9.498   5.477
  414   1HB   ASP  54          2HB       ASP  54  -9.812  -7.533   5.323
  415   2HB   ASP  54          1HB       ASP  54  -9.625  -8.220   6.933
  416    H    LEU  55           H        LEU  55  -6.337  -6.529   5.372
  417    HA   LEU  55           HA       LEU  55  -6.874  -5.891   2.685
  418   1HB   LEU  55          2HB       LEU  55  -4.549  -5.136   4.449
  419   2HB   LEU  55          1HB       LEU  55  -4.898  -4.408   2.893
  420    HG   LEU  55           HG       LEU  55  -6.678  -4.301   5.326
  421   1HD1  LEU  55          1HD1      LEU  55  -6.154  -1.920   5.316
  422   2HD1  LEU  55          2HD1      LEU  55  -5.044  -2.170   3.968
  423   3HD1  LEU  55          3HD1      LEU  55  -4.707  -2.903   5.537
  424   1HD2  LEU  55          1HD2      LEU  55  -8.056  -2.773   4.017
  425   2HD2  LEU  55          2HD2      LEU  55  -7.978  -4.362   3.257
  426   3HD2  LEU  55          3HD2      LEU  55  -7.020  -3.028   2.612
  427    H    PHE  56           H        PHE  56  -4.268  -7.788   4.165
  428    HA   PHE  56           HA       PHE  56  -2.747  -8.340   1.913
  429   1HB   PHE  56          2HB       PHE  56  -2.356  -9.049   4.352
  430   2HB   PHE  56          1HB       PHE  56  -3.422 -10.405   4.008
  431    HD1  PHE  56           2HD      PHE  56  -0.228  -8.810   3.061
  432    HD2  PHE  56           1HD      PHE  56  -2.640 -12.315   2.876
  433    HE1  PHE  56           2HE      PHE  56   1.685 -10.078   2.175
  434    HE2  PHE  56           1HE      PHE  56  -0.728 -13.586   1.997
  435    HZ   PHE  56           HZ       PHE  56   1.438 -12.468   1.643
  436    H    ALA  57           H        ALA  57  -5.789  -9.703   3.001
  437    HA   ALA  57           HA       ALA  57  -5.909 -11.799   1.073
  438   1HB   ALA  57          1HB       ALA  57  -8.147 -10.539   2.653
  439   2HB   ALA  57          2HB       ALA  57  -7.134 -11.875   3.202
  440   3HB   ALA  57          3HB       ALA  57  -8.198 -12.089   1.813
  441    H    TRP  58           H        TRP  58  -6.961  -8.436   1.126
  442    HA   TRP  58           HA       TRP  58  -8.573  -8.514  -1.179
  443   1HB   TRP  58          2HB       TRP  58  -7.022  -6.311   0.149
  444   2HB   TRP  58          1HB       TRP  58  -7.853  -6.034  -1.379
  445    HD1  TRP  58           HD       TRP  58  -8.775  -7.463   2.095
  446    HE1  TRP  58           1HE      TRP  58 -11.125  -6.628   2.704
  447    HE3  TRP  58           3HE      TRP  58  -9.821  -4.853  -2.164
  448    HZ2  TRP  58           2HZ      TRP  58 -13.164  -5.071   1.526
  449    HZ3  TRP  58           3HZ      TRP  58 -11.999  -3.717  -2.344
  450    HH2  TRP  58           HH       TRP  58 -13.634  -3.827  -0.537
  451    H    VAL  59           H        VAL  59  -5.116  -7.874  -0.758
  452    HA   VAL  59           HA       VAL  59  -4.510  -7.429  -3.476
  453    HB   VAL  59           HB       VAL  59  -2.672  -8.605  -1.383
  454   1HG1  VAL  59          1HG1      VAL  59  -0.881  -7.642  -2.718
  455   2HG1  VAL  59          2HG1      VAL  59  -2.057  -7.037  -3.883
  456   3HG1  VAL  59          3HG1      VAL  59  -1.835  -8.774  -3.678
  457   1HG2  VAL  59          1HG2      VAL  59  -1.962  -6.270  -0.978
  458   2HG2  VAL  59          2HG2      VAL  59  -3.639  -6.567  -0.522
  459   3HG2  VAL  59          3HG2      VAL  59  -3.271  -5.720  -2.024
  460    H    MET  60           H        MET  60  -4.683 -10.351  -1.516
  461    HA   MET  60           HA       MET  60  -3.752 -12.066  -3.629
  462   1HB   MET  60          2HB       MET  60  -4.996 -12.653  -0.942
  463   2HB   MET  60          1HB       MET  60  -4.475 -13.905  -2.062
  464   1HG   MET  60          2HG       MET  60  -2.705 -11.793  -0.849
  465   2HG   MET  60          1HG       MET  60  -2.814 -13.473  -0.327
  466   1HE   MET  60          1HE       MET  60  -0.111 -13.573  -0.581
  467   2HE   MET  60          2HE       MET  60  -0.115 -11.906  -1.155
  468   3HE   MET  60          3HE       MET  60   0.725 -13.153  -2.076
  469    H    GLY  61           H        GLY  61  -6.677 -10.560  -2.963
  470   1HA   GLY  61          2HA       GLY  61  -8.448 -10.479  -4.465
  471   2HA   GLY  61          1HA       GLY  61  -7.811 -11.906  -5.261
  472    H    HIS  62           H        HIS  62  -8.355 -11.916  -1.812
  473    HA   HIS  62           HA       HIS  62 -10.997 -13.083  -2.050
  474   1HB   HIS  62          2HB       HIS  62  -8.578 -14.724  -1.564
  475   2HB   HIS  62          1HB       HIS  62  -9.964 -15.058  -0.538
  476    HD1  HIS  62           1HD      HIS  62 -12.150 -14.606  -2.793
  477    HD2  HIS  62           2HD      HIS  62  -8.743 -16.971  -3.116
  478    HE1  HIS  62           1HE      HIS  62 -12.665 -16.300  -4.575
  479    HE2  HIS  62           2HE      HIS  62 -10.665 -17.834  -4.615
  480    H    GLY  63           H        GLY  63 -11.433 -11.182  -0.714
  481   1HA   GLY  63          2HA       GLY  63 -11.752 -11.883   1.964
  482   2HA   GLY  63          1HA       GLY  63 -10.288 -10.920   1.863
  483    H    ARG  64           H        ARG  64 -12.806 -10.382   3.205
  484    HA   ARG  64           HA       ARG  64 -13.626  -7.920   1.829
  485   1HB   ARG  64          2HB       ARG  64 -14.858  -9.331   4.208
  486   2HB   ARG  64          1HB       ARG  64 -15.471  -7.856   3.475
  487   1HG   ARG  64          2HG       ARG  64 -15.963  -9.046   1.422
  488   2HG   ARG  64          1HG       ARG  64 -15.261 -10.525   2.088
  489   1HD   ARG  64          2HD       ARG  64 -17.690  -9.060   3.124
  490   2HD   ARG  64          1HD       ARG  64 -17.678 -10.599   2.259
  491    HE   ARG  64           HE       ARG  64 -16.314 -11.420   4.223
  492   1HH1  ARG  64          1HH1      ARG  64 -18.760  -8.919   4.507
  493   2HH1  ARG  64          2HH1      ARG  64 -18.993  -9.179   6.210
  494   1HH2  ARG  64          1HH2      ARG  64 -16.635 -11.762   6.449
  495   2HH2  ARG  64          2HH2      ARG  64 -17.783 -10.788   7.319
  496    H    CYS  65           H        CYS  65 -14.121  -6.106   3.595
  497    HA   CYS  65           HA       CYS  65 -11.826  -6.066   5.449
  498   1HB   CYS  65          2HB       CYS  65 -11.493  -4.651   3.385
  499   2HB   CYS  65          1HB       CYS  65 -12.853  -3.671   3.919
  500    HG   CYS  65           HG       CYS  65  -9.874  -4.058   5.565
  501    H    GLU  66           H        GLU  66 -12.093  -4.730   7.333
  502    HA   GLU  66           HA       GLU  66 -14.691  -4.850   8.476
  503   1HB   GLU  66          2HB       GLU  66 -12.195  -3.403   9.374
  504   2HB   GLU  66          1HB       GLU  66 -13.658  -3.544  10.339
  505   1HG   GLU  66          2HG       GLU  66 -11.950  -5.829   9.384
  506   2HG   GLU  66          1HG       GLU  66 -11.957  -5.152  11.011
  507    H    ASN  67           H        ASN  67 -12.693  -2.233   7.199
  508    HA   ASN  67           HA       ASN  67 -15.116  -0.677   6.752
  509   1HB   ASN  67          2HB       ASN  67 -13.957   1.404   7.517
  510   2HB   ASN  67          1HB       ASN  67 -14.330   0.273   8.809
  511   1HD2  ASN  67          1HD2      ASN  67 -12.360   2.426   8.649
  512   2HD2  ASN  67          2HD2      ASN  67 -10.829   1.688   8.994
  513    H    LEU  68           H        LEU  68 -15.160   0.309   4.835
  514    HA   LEU  68           HA       LEU  68 -13.234  -0.652   2.955
  515   1HB   LEU  68          2HB       LEU  68 -15.672   1.075   2.663
  516   2HB   LEU  68          1HB       LEU  68 -14.677   0.580   1.311
  517    HG   LEU  68           HG       LEU  68 -16.242  -1.235   3.148
  518   1HD1  LEU  68          1HD1      LEU  68 -17.602  -0.032   1.510
  519   2HD1  LEU  68          2HD1      LEU  68 -17.532  -1.758   1.155
  520   3HD1  LEU  68          3HD1      LEU  68 -16.564  -0.624   0.214
  521   1HD2  LEU  68          1HD2      LEU  68 -15.501  -3.059   1.688
  522   2HD2  LEU  68          2HD2      LEU  68 -14.144  -2.291   2.513
  523   3HD2  LEU  68          3HD2      LEU  68 -14.460  -1.933   0.815
  524    H    GLY  69           H        GLY  69 -13.391   2.186   4.771
  525   1HA   GLY  69          2HA       GLY  69 -12.292   4.108   3.080
  526   2HA   GLY  69          1HA       GLY  69 -12.010   4.029   4.813
  527    H    LEU  70           H        LEU  70 -10.600   1.756   5.140
  528    HA   LEU  70           HA       LEU  70  -8.001   2.364   4.255
  529   1HB   LEU  70          2HB       LEU  70  -9.212  -0.137   5.427
  530   2HB   LEU  70          1HB       LEU  70  -7.508  -0.010   5.039
  531    HG   LEU  70           HG       LEU  70  -8.892   1.869   6.951
  532   1HD1  LEU  70          1HD1      LEU  70  -7.943   0.523   8.746
  533   2HD1  LEU  70          2HD1      LEU  70  -7.317  -0.629   7.568
  534   3HD1  LEU  70          3HD1      LEU  70  -9.058  -0.436   7.774
  535   1HD2  LEU  70          1HD2      LEU  70  -6.810   2.688   5.976
  536   2HD2  LEU  70          2HD2      LEU  70  -5.988   1.207   6.470
  537   3HD2  LEU  70          3HD2      LEU  70  -6.605   2.323   7.690
  538    H    ALA  71           H        ALA  71 -10.357  -0.047   3.191
  539    HA   ALA  71           HA       ALA  71  -8.750  -1.351   1.312
  540   1HB   ALA  71          1HB       ALA  71 -11.745  -1.036   1.322
  541   2HB   ALA  71          2HB       ALA  71 -10.828  -2.288   2.161
  542   3HB   ALA  71          3HB       ALA  71 -10.836  -2.230   0.398
  543    H    ALA  72           H        ALA  72 -10.541   1.636   1.086
  544    HA   ALA  72           HA       ALA  72 -10.744   1.841  -1.705
  545   1HB   ALA  72          1HB       ALA  72 -10.477   4.072   0.307
  546   2HB   ALA  72          2HB       ALA  72 -11.981   3.275  -0.151
  547   3HB   ALA  72          3HB       ALA  72 -11.088   4.220  -1.342
  548    H    MET  73           H        MET  73  -8.243   3.146   0.487
  549    HA   MET  73           HA       MET  73  -6.660   4.069  -1.709
  550   1HB   MET  73          2HB       MET  73  -4.927   4.560  -0.001
  551   2HB   MET  73          1HB       MET  73  -6.489   5.277   0.353
  552   1HG   MET  73          2HG       MET  73  -5.795   4.511   2.405
  553   2HG   MET  73          1HG       MET  73  -6.848   3.215   1.846
  554   1HE   MET  73          1HE       MET  73  -4.055   1.371   3.898
  555   2HE   MET  73          2HE       MET  73  -5.787   1.656   3.727
  556   3HE   MET  73          3HE       MET  73  -4.721   2.971   4.221
  557    H    VAL  74           H        VAL  74  -6.831   1.131   0.152
  558    HA   VAL  74           HA       VAL  74  -4.416  -0.040  -0.736
  559    HB   VAL  74           HB       VAL  74  -7.008  -1.327   0.145
  560   1HG1  VAL  74          1HG1      VAL  74  -4.316  -2.624  -0.268
  561   2HG1  VAL  74          2HG1      VAL  74  -5.733  -2.862  -1.289
  562   3HG1  VAL  74          3HG1      VAL  74  -5.755  -3.402   0.391
  563   1HG2  VAL  74          1HG2      VAL  74  -5.817  -1.727   2.231
  564   2HG2  VAL  74          2HG2      VAL  74  -5.848  -0.004   1.852
  565   3HG2  VAL  74          3HG2      VAL  74  -4.383  -0.942   1.572
  566    H    ASP  75           H        ASP  75  -7.655   0.121  -2.110
  567    HA   ASP  75           HA       ASP  75  -7.412  -1.646  -4.233
  568   1HB   ASP  75          2HB       ASP  75  -9.530  -0.608  -3.709
  569   2HB   ASP  75          1HB       ASP  75  -8.887   0.992  -4.067
  570    H    LYS  76           H        LYS  76  -6.418   1.732  -4.001
  571    HA   LYS  76           HA       LYS  76  -5.510   2.103  -6.619
  572   1HB   LYS  76          2HB       LYS  76  -4.556   3.302  -4.014
  573   2HB   LYS  76          1HB       LYS  76  -4.023   3.857  -5.592
  574   1HG   LYS  76          2HG       LYS  76  -6.945   3.754  -5.062
  575   2HG   LYS  76          1HG       LYS  76  -5.996   5.022  -4.289
  576   1HD   LYS  76          2HD       LYS  76  -6.874   5.858  -6.368
  577   2HD   LYS  76          1HD       LYS  76  -5.127   5.676  -6.516
  578   1HE   LYS  76          2HE       LYS  76  -5.486   3.515  -7.661
  579   2HE   LYS  76          1HE       LYS  76  -7.227   3.788  -7.576
  580   1HZ   LYS  76          1HZ       LYS  76  -6.940   5.788  -8.918
  581   2HZ   LYS  76          2HZ       LYS  76  -6.334   4.426  -9.730
  582   3HZ   LYS  76          3HZ       LYS  76  -5.267   5.518  -8.997
  583    H    ILE  77           H        ILE  77  -3.908   0.757  -3.785
  584    HA   ILE  77           HA       ILE  77  -1.351   0.434  -4.987
  585    HB   ILE  77           HB       ILE  77  -2.544  -1.046  -2.638
  586   1HG1  ILE  77          2HG1      ILE  77  -0.796   1.424  -2.691
  587   2HG1  ILE  77          1HG1      ILE  77  -2.520   1.414  -2.342
  588   1HG2  ILE  77          1HG2      ILE  77  -0.191  -1.434  -2.005
  589   2HG2  ILE  77          2HG2      ILE  77   0.317  -0.717  -3.534
  590   3HG2  ILE  77          3HG2      ILE  77  -0.625  -2.209  -3.528
  591   1HD1  ILE  77          1HD1      ILE  77  -0.389   0.057  -0.703
  592   2HD1  ILE  77          2HD1      ILE  77  -2.117   0.070  -0.350
  593   3HD1  ILE  77          3HD1      ILE  77  -1.196   1.574  -0.310
  594    H    VAL  78           H        VAL  78  -4.087  -1.762  -4.418
  595    HA   VAL  78           HA       VAL  78  -2.919  -4.078  -5.494
  596    HB   VAL  78           HB       VAL  78  -5.847  -3.322  -5.425
  597   1HG1  VAL  78          1HG1      VAL  78  -4.574  -6.041  -5.727
  598   2HG1  VAL  78          2HG1      VAL  78  -5.393  -5.145  -7.008
  599   3HG1  VAL  78          3HG1      VAL  78  -6.300  -5.704  -5.602
  600   1HG2  VAL  78          1HG2      VAL  78  -4.838  -3.309  -3.214
  601   2HG2  VAL  78          2HG2      VAL  78  -4.168  -4.917  -3.494
  602   3HG2  VAL  78          3HG2      VAL  78  -5.915  -4.693  -3.393
  603    H    ALA  79           H        ALA  79  -4.898  -1.551  -7.028
  604    HA   ALA  79           HA       ALA  79  -5.055  -2.700  -9.581
  605   1HB   ALA  79          1HB       ALA  79  -4.980   0.223  -8.846
  606   2HB   ALA  79          2HB       ALA  79  -6.418  -0.797  -8.882
  607   3HB   ALA  79          3HB       ALA  79  -5.548  -0.445 -10.376
  608    H    HIS  80           H        HIS  80  -2.539  -0.775  -8.053
  609    HA   HIS  80           HA       HIS  80  -0.978  -0.398 -10.411
  610   1HB   HIS  80          2HB       HIS  80  -0.874   0.967  -8.252
  611   2HB   HIS  80          1HB       HIS  80   0.057  -0.364  -7.574
  612    HD1  HIS  80           1HD      HIS  80   2.386   0.488  -7.452
  613    HD2  HIS  80           2HD      HIS  80   0.590   1.408 -11.085
  614    HE1  HIS  80           1HE      HIS  80   4.168   1.617  -8.821
  615    HE2  HIS  80           2HE      HIS  80   2.986   2.368 -10.915
  616    H    ASN  81           H        ASN  81  -1.086  -2.793  -7.839
  617    HA   ASN  81           HA       ASN  81   1.227  -4.254  -8.604
  618   1HB   ASN  81          2HB       ASN  81   0.341  -4.551  -6.382
  619   2HB   ASN  81          1HB       ASN  81  -1.226  -5.042  -7.015
  620   1HD2  ASN  81          1HD2      ASN  81   2.043  -6.004  -6.388
  621   2HD2  ASN  81          2HD2      ASN  81   1.816  -7.695  -6.662
  622    H    LEU  82           H        LEU  82  -2.188  -4.484  -9.477
  623    HA   LEU  82           HA       LEU  82  -2.188  -6.899 -10.817
  624   1HB   LEU  82          2HB       LEU  82  -3.750  -4.377 -11.330
  625   2HB   LEU  82          1HB       LEU  82  -4.093  -5.907 -12.097
  626    HG   LEU  82           HG       LEU  82  -4.227  -5.379  -9.132
  627   1HD1  LEU  82          1HD1      LEU  82  -6.415  -5.782 -11.166
  628   2HD1  LEU  82          2HD1      LEU  82  -6.013  -4.266 -10.358
  629   3HD1  LEU  82          3HD1      LEU  82  -6.640  -5.625  -9.424
  630   1HD2  LEU  82          1HD2      LEU  82  -3.585  -7.685  -9.662
  631   2HD2  LEU  82          2HD2      LEU  82  -4.996  -7.832 -10.711
  632   3HD2  LEU  82          3HD2      LEU  82  -5.207  -7.598  -8.977
  633    H    SER  83           H        SER  83  -1.071  -3.753 -11.894
  634    HA   SER  83           HA       SER  83  -0.912  -4.362 -14.642
  635   1HB   SER  83          2HB       SER  83   0.715  -2.359 -13.053
  636   2HB   SER  83          1HB       SER  83   0.512  -2.371 -14.805
  637    HG   SER  83           HG       SER  83  -0.940  -0.912 -13.893
  638    H    LYS  84           H        LYS  84   1.582  -4.528 -12.070
  639    HA   LYS  84           HA       LYS  84   3.567  -5.515 -13.864
  640   1HB   LYS  84          2HB       LYS  84   4.902  -6.030 -11.895
  641   2HB   LYS  84          1HB       LYS  84   4.195  -4.428 -11.746
  642   1HG   LYS  84          2HG       LYS  84   2.790  -5.053 -10.047
  643   2HG   LYS  84          1HG       LYS  84   2.785  -6.753 -10.526
  644   1HD   LYS  84          2HD       LYS  84   5.134  -5.289  -9.319
  645   2HD   LYS  84          1HD       LYS  84   4.037  -6.355  -8.435
  646   1HE   LYS  84          2HE       LYS  84   5.792  -7.143 -10.760
  647   2HE   LYS  84          1HE       LYS  84   6.097  -7.516  -9.064
  648   1HZ   LYS  84          1HZ       LYS  84   4.116  -8.857  -8.992
  649   2HZ   LYS  84          2HZ       LYS  84   5.085  -9.380 -10.286
  650   3HZ   LYS  84          3HZ       LYS  84   3.718  -8.433 -10.584
  651    H    VAL  85           H        VAL  85   1.000  -6.947 -12.043
  652    HA   VAL  85           HA       VAL  85   1.939  -9.647 -12.200
  653    HB   VAL  85           HB       VAL  85  -0.790  -8.480 -11.643
  654   1HG1  VAL  85          1HG1      VAL  85  -1.095 -10.663 -12.693
  655   2HG1  VAL  85          2HG1      VAL  85  -1.506 -10.724 -10.979
  656   3HG1  VAL  85          3HG1      VAL  85   0.031 -11.385 -11.543
  657   1HG2  VAL  85          1HG2      VAL  85   1.272  -9.825  -9.902
  658   2HG2  VAL  85          2HG2      VAL  85  -0.334  -9.329  -9.369
  659   3HG2  VAL  85          3HG2      VAL  85   0.834  -8.117  -9.895
  660    H    ARG  86           H        ARG  86  -0.373  -7.713 -14.064
  661    HA   ARG  86           HA       ARG  86  -1.079  -9.795 -15.866
  662   1HB   ARG  86          2HB       ARG  86  -2.284  -8.125 -17.067
  663   2HB   ARG  86          1HB       ARG  86  -2.427  -7.734 -15.364
  664   1HG   ARG  86          2HG       ARG  86  -0.660  -6.048 -15.622
  665   2HG   ARG  86          1HG       ARG  86  -0.612  -6.405 -17.350
  666   1HD   ARG  86          2HD       ARG  86  -2.939  -5.733 -17.573
  667   2HD   ARG  86          1HD       ARG  86  -3.034  -5.430 -15.838
  668    HE   ARG  86           HE       ARG  86  -0.957  -3.925 -17.110
  669   1HH1  ARG  86          1HH1      ARG  86  -4.394  -4.002 -16.398
  670   2HH1  ARG  86          2HH1      ARG  86  -4.582  -2.280 -16.572
  671   1HH2  ARG  86          1HH2      ARG  86  -1.219  -1.663 -17.312
  672   2HH2  ARG  86          2HH2      ARG  86  -2.799  -0.962 -17.079
  673    H    LEU  87           H        LEU  87   1.583  -7.679 -15.639
  674    HA   LEU  87           HA       LEU  87   2.405  -7.752 -18.365
  675   1HB   LEU  87          2HB       LEU  87   3.081  -5.983 -16.817
  676   2HB   LEU  87          1HB       LEU  87   3.931  -7.152 -15.828
  677    HG   LEU  87           HG       LEU  87   5.462  -7.590 -17.705
  678   1HD1  LEU  87          1HD1      LEU  87   4.042  -5.287 -19.033
  679   2HD1  LEU  87          2HD1      LEU  87   3.979  -6.974 -19.542
  680   3HD1  LEU  87          3HD1      LEU  87   5.500  -6.086 -19.623
  681   1HD2  LEU  87          1HD2      LEU  87   6.076  -5.993 -15.978
  682   2HD2  LEU  87          2HD2      LEU  87   5.264  -4.700 -16.863
  683   3HD2  LEU  87          3HD2      LEU  87   6.695  -5.476 -17.547
  684    H    GLU  88           H        GLU  88   2.685  -9.856 -15.656
  685    HA   GLU  88           HA       GLU  88   3.575 -11.926 -15.345
  686   1HB   GLU  88          2HB       GLU  88   3.669 -11.953 -18.368
  687   2HB   GLU  88          1HB       GLU  88   3.839 -13.363 -17.332
  688   1HG   GLU  88          2HG       GLU  88   1.554 -13.026 -16.516
  689   2HG   GLU  88          1HG       GLU  88   1.393 -11.624 -17.577
  690    H    HIS  89           H        HIS  89   5.386  -9.644 -15.424
  691    HA   HIS  89           HA       HIS  89   7.700 -10.498 -16.928
  692   1HB   HIS  89          2HB       HIS  89   6.961  -8.081 -16.633
  693   2HB   HIS  89          1HB       HIS  89   7.581  -8.193 -14.990
  694    HD1  HIS  89           1HD      HIS  89   9.697  -6.898 -14.983
  695    HD2  HIS  89           2HD      HIS  89   9.347  -9.298 -18.364
  696    HE1  HIS  89           1HE      HIS  89  11.859  -6.624 -16.243
  697    HE2  HIS  89           2HE      HIS  89  11.576  -7.985 -18.349
  698    H    HIS  90           H        HIS  90   7.462 -12.536 -15.486
  699    HA   HIS  90           HA       HIS  90   8.680 -13.985 -14.261
  700   1HB   HIS  90          2HB       HIS  90  10.498 -11.610 -13.988
  701   2HB   HIS  90          1HB       HIS  90  10.833 -13.121 -13.147
  702    HD1  HIS  90           1HD      HIS  90  11.766 -15.045 -14.520
  703    HD2  HIS  90           2HD      HIS  90  10.670 -11.760 -16.820
  704    HE1  HIS  90           1HE      HIS  90  12.662 -15.500 -16.824
  705    HE2  HIS  90           2HE      HIS  90  11.731 -13.640 -18.245
  706    H    HIS  91           H        HIS  91   8.390 -10.884 -12.519
  707    HA   HIS  91           HA       HIS  91   8.279 -12.226  -9.976
  708   1HB   HIS  91          2HB       HIS  91   8.825  -9.633 -10.771
  709   2HB   HIS  91          1HB       HIS  91   7.239  -9.496 -10.017
  710    HD1  HIS  91           1HD      HIS  91   7.152  -9.542  -7.487
  711    HD2  HIS  91           2HD      HIS  91  10.847 -10.701  -9.020
  712    HE1  HIS  91           1HE      HIS  91   8.698  -9.695  -5.509
  713    HE2  HIS  91           2HE      HIS  91  10.973 -10.136  -6.499
  714    H    HIS  92           H        HIS  92   6.595 -13.169  -9.143
  715    HA   HIS  92           HA       HIS  92   4.473 -13.840  -8.686
  716   1HB   HIS  92          2HB       HIS  92   3.838 -11.406  -8.622
  717   2HB   HIS  92          1HB       HIS  92   3.434 -11.522 -10.332
  718    HD1  HIS  92           1HD      HIS  92   1.314 -12.949 -10.960
  719    HD2  HIS  92           2HD      HIS  92   1.971 -12.460  -6.877
  720    HE1  HIS  92           1HE      HIS  92  -0.831 -13.637  -9.833
  721    HE2  HIS  92           2HE      HIS  92  -0.462 -13.186  -7.376
  722    H    HIS  93           H        HIS  93   3.646 -15.591  -9.577
  723    HA   HIS  93           HA       HIS  93   3.462 -15.736 -12.513
  724   1HB   HIS  93          2HB       HIS  93   5.549 -16.826 -11.669
  725   2HB   HIS  93          1HB       HIS  93   4.548 -17.916 -10.719
  726    HD1  HIS  93           1HD      HIS  93   3.404 -19.855 -11.944
  727    HD2  HIS  93           2HD      HIS  93   5.555 -17.323 -14.456
  728    HE1  HIS  93           1HE      HIS  93   3.581 -21.064 -14.144
  729    HE2  HIS  93           2HE      HIS  93   4.802 -19.480 -15.680
  730    H    HIS  94           H        HIS  94   1.676 -16.704 -13.286
  731    HA   HIS  94           HA       HIS  94  -0.150 -17.987 -11.375
  732   1HB   HIS  94          2HB       HIS  94  -1.130 -16.164 -12.703
  733   2HB   HIS  94          1HB       HIS  94  -0.648 -16.972 -14.190
  734    HD1  HIS  94           1HD      HIS  94  -3.211 -17.073 -11.462
  735    HD2  HIS  94           2HD      HIS  94  -2.276 -19.143 -14.954
  736    HE1  HIS  94           1HE      HIS  94  -5.211 -18.518 -11.958
  737    HE2  HIS  94           2HE      HIS  94  -4.589 -19.832 -14.016
  Start of MODEL    6
    1   1H    MET   1          1HT       MET   1  -0.381  16.929   8.897
    2   2H    MET   1          2HT       MET   1  -1.067  16.354   7.449
    3   3H    MET   1          3HT       MET   1  -1.088  18.011   7.803
    4    HA   MET   1           HA       MET   1   0.598  17.376   6.144
    5   1HB   MET   1          2HB       MET   1   1.534  18.556   8.766
    6   2HB   MET   1          1HB       MET   1   2.486  18.583   7.290
    7   1HG   MET   1          2HG       MET   1   1.435  20.698   7.557
    8   2HG   MET   1          1HG       MET   1   0.671  19.868   6.203
    9   1HE   MET   1          1HE       MET   1  -1.268  21.761   6.399
   10   2HE   MET   1          2HE       MET   1  -0.458  22.447   7.808
   11   3HE   MET   1          3HE       MET   1  -2.174  22.049   7.884
   12    H    TYR   2           H        TYR   2   2.598  16.383   5.728
   13    HA   TYR   2           HA       TYR   2   3.551  14.467   7.742
   14   1HB   TYR   2          2HB       TYR   2   3.120  13.876   4.810
   15   2HB   TYR   2          1HB       TYR   2   3.964  12.813   5.925
   16    HD1  TYR   2           1HD      TYR   2   2.744  11.563   7.622
   17    HD2  TYR   2           2HD      TYR   2   0.702  14.099   4.885
   18    HE1  TYR   2           1HE      TYR   2   0.615  10.502   8.238
   19    HE2  TYR   2           2HE      TYR   2  -1.435  13.045   5.493
   20    HH   TYR   2           HH       TYR   2  -2.275  11.003   6.462
   21    H    THR   3           H        THR   3   5.389  15.456   8.252
   22    HA   THR   3           HA       THR   3   6.975  16.814   6.254
   23    HB   THR   3           HB       THR   3   8.441  17.342   8.248
   24    HG1  THR   3           1HG      THR   3   7.507  16.884  10.298
   25   1HG2  THR   3          1HG2      THR   3   5.521  18.108   8.420
   26   2HG2  THR   3          2HG2      THR   3   6.747  18.914   7.440
   27   3HG2  THR   3          3HG2      THR   3   6.853  18.959   9.200
   28    H    ALA   4           H        ALA   4   9.496  16.507   6.800
   29    HA   ALA   4           HA       ALA   4  10.264  14.109   5.618
   30   1HB   ALA   4          1HB       ALA   4  11.948  15.898   7.369
   31   2HB   ALA   4          2HB       ALA   4  11.633  16.148   5.651
   32   3HB   ALA   4          3HB       ALA   4  12.539  14.732   6.186
   33    H    GLU   5           H        GLU   5  10.135  14.975   9.055
   34    HA   GLU   5           HA       GLU   5  11.345  12.661  10.074
   35   1HB   GLU   5          2HB       GLU   5   9.185  14.383  11.299
   36   2HB   GLU   5          1HB       GLU   5  10.141  13.195  12.167
   37   1HG   GLU   5          2HG       GLU   5  12.171  14.465  11.614
   38   2HG   GLU   5          1HG       GLU   5  11.164  15.686  10.840
   39    H    GLN   6           H        GLN   6   7.949  13.365   9.338
   40    HA   GLN   6           HA       GLN   6   6.993  10.832  10.201
   41   1HB   GLN   6          2HB       GLN   6   5.821  13.105   8.667
   42   2HB   GLN   6          1HB       GLN   6   5.007  11.549   8.609
   43   1HG   GLN   6          2HG       GLN   6   4.023  12.883  10.337
   44   2HG   GLN   6          1HG       GLN   6   4.897  11.543  11.071
   45   1HE2  GLN   6          1HE2      GLN   6   6.750  11.966  12.277
   46   2HE2  GLN   6          2HE2      GLN   6   7.170  13.563  12.802
   47    H    LYS   7           H        LYS   7   8.210  12.056   7.145
   48    HA   LYS   7           HA       LYS   7   7.390  10.004   5.439
   49   1HB   LYS   7          2HB       LYS   7   9.989  11.553   5.415
   50   2HB   LYS   7          1HB       LYS   7   9.420  10.540   4.097
   51   1HG   LYS   7          2HG       LYS   7   7.987  12.960   5.161
   52   2HG   LYS   7          1HG       LYS   7   9.004  12.928   3.722
   53   1HD   LYS   7          2HD       LYS   7   7.505  11.365   2.644
   54   2HD   LYS   7          1HD       LYS   7   6.521  11.249   4.105
   55   1HE   LYS   7          2HE       LYS   7   5.485  12.726   2.458
   56   2HE   LYS   7          1HE       LYS   7   5.952  13.621   3.903
   57   1HZ   LYS   7          1HZ       LYS   7   7.314  13.597   1.270
   58   2HZ   LYS   7          2HZ       LYS   7   8.033  14.232   2.665
   59   3HZ   LYS   7          3HZ       LYS   7   6.606  14.920   2.066
   60    H    ALA   8           H        ALA   8  10.161  10.196   7.608
   61    HA   ALA   8           HA       ALA   8  11.271   7.684   6.900
   62   1HB   ALA   8          1HB       ALA   8  11.566   9.269   9.454
   63   2HB   ALA   8          2HB       ALA   8  12.589   9.400   8.023
   64   3HB   ALA   8          3HB       ALA   8  12.578   7.909   8.964
   65    H    ARG   9           H        ARG   9   9.054   8.725   9.467
   66    HA   ARG   9           HA       ARG   9   8.923   6.265  10.822
   67   1HB   ARG   9          2HB       ARG   9   6.808   8.413  10.614
   68   2HB   ARG   9          1HB       ARG   9   6.820   7.115  11.795
   69   1HG   ARG   9          2HG       ARG   9   8.925   8.017  12.720
   70   2HG   ARG   9          1HG       ARG   9   8.827   9.350  11.565
   71   1HD   ARG   9          2HD       ARG   9   6.648   9.988  12.518
   72   2HD   ARG   9          1HD       ARG   9   6.797   8.688  13.697
   73    HE   ARG   9           HE       ARG   9   8.976  10.609  13.687
   74   1HH1  ARG   9          1HH1      ARG   9   5.877   9.674  15.063
   75   2HH1  ARG   9          2HH1      ARG   9   6.115  10.606  16.515
   76   1HH2  ARG   9          1HH2      ARG   9   9.255  11.850  15.595
   77   2HH2  ARG   9          2HH2      ARG   9   8.015  11.834  16.818
   78    H    ILE  10           H        ILE  10   6.974   7.591   8.180
   79    HA   ILE  10           HA       ILE  10   5.097   5.488   8.057
   80    HB   ILE  10           HB       ILE  10   6.045   7.369   5.883
   81   1HG1  ILE  10          2HG1      ILE  10   3.552   7.422   7.600
   82   2HG1  ILE  10          1HG1      ILE  10   4.974   8.430   7.855
   83   1HG2  ILE  10          1HG2      ILE  10   3.625   5.571   5.905
   84   2HG2  ILE  10          2HG2      ILE  10   5.061   5.355   4.905
   85   3HG2  ILE  10          3HG2      ILE  10   4.018   6.757   4.663
   86   1HD1  ILE  10          1HD1      ILE  10   4.612   9.448   5.649
   87   2HD1  ILE  10          2HD1      ILE  10   3.248   9.687   6.742
   88   3HD1  ILE  10          3HD1      ILE  10   3.152   8.476   5.464
   89    H    LYS  11           H        LYS  11   8.164   6.019   6.337
   90    HA   LYS  11           HA       LYS  11   7.977   3.666   4.783
   91   1HB   LYS  11          2HB       LYS  11  10.262   5.484   5.487
   92   2HB   LYS  11          1HB       LYS  11  10.517   4.024   4.539
   93   1HG   LYS  11          2HG       LYS  11   8.774   4.853   2.948
   94   2HG   LYS  11          1HG       LYS  11   8.769   6.372   3.842
   95   1HD   LYS  11          2HD       LYS  11  11.236   5.180   2.587
   96   2HD   LYS  11          1HD       LYS  11  10.194   6.343   1.770
   97   1HE   LYS  11          2HE       LYS  11  10.592   7.904   3.693
   98   2HE   LYS  11          1HE       LYS  11  11.799   6.760   4.285
   99   1HZ   LYS  11          1HZ       LYS  11  11.854   8.161   1.664
  100   2HZ   LYS  11          2HZ       LYS  11  12.988   7.008   2.171
  101   3HZ   LYS  11          3HZ       LYS  11  12.856   8.487   2.992
  102    H    TRP  12           H        TRP  12   9.371   4.317   7.957
  103    HA   TRP  12           HA       TRP  12  10.581   1.823   8.378
  104   1HB   TRP  12          2HB       TRP  12   9.400   3.877  10.227
  105   2HB   TRP  12          1HB       TRP  12   9.972   2.340  10.863
  106    HD1  TRP  12           HD       TRP  12  11.828   4.245   8.078
  107    HE1  TRP  12           1HE      TRP  12  14.132   4.955   8.978
  108    HE3  TRP  12           3HE      TRP  12  11.267   2.830  12.957
  109    HZ2  TRP  12           2HZ      TRP  12  15.524   4.927  11.427
  110    HZ3  TRP  12           3HZ      TRP  12  13.133   3.210  14.516
  111    HH2  TRP  12           HH       TRP  12  15.216   4.237  13.764
  112    H    ALA  13           H        ALA  13   7.229   2.835   8.559
  113    HA   ALA  13           HA       ALA  13   6.410   0.310   9.753
  114   1HB   ALA  13          1HB       ALA  13   4.216   1.306   9.930
  115   2HB   ALA  13          2HB       ALA  13   4.740   2.692   8.976
  116   3HB   ALA  13          3HB       ALA  13   5.436   2.407  10.572
  117    H    CYS  14           H        CYS  14   7.033   1.350   6.669
  118    HA   CYS  14           HA       CYS  14   4.852   0.179   5.255
  119   1HB   CYS  14          2HB       CYS  14   7.670   0.819   4.362
  120   2HB   CYS  14          1HB       CYS  14   6.385   0.287   3.284
  121    HG   CYS  14           HG       CYS  14   5.731   3.008   5.176
  122    H    ARG  15           H        ARG  15   7.696  -1.014   6.731
  123    HA   ARG  15           HA       ARG  15   7.557  -3.585   5.373
  124   1HB   ARG  15          2HB       ARG  15   9.453  -2.537   7.486
  125   2HB   ARG  15          1HB       ARG  15   9.606  -4.085   6.658
  126   1HG   ARG  15          2HG       ARG  15   9.965  -3.023   4.564
  127   2HG   ARG  15          1HG       ARG  15   9.562  -1.445   5.233
  128   1HD   ARG  15          2HD       ARG  15  11.548  -1.491   6.614
  129   2HD   ARG  15          1HD       ARG  15  11.931  -3.120   6.044
  130    HE   ARG  15           HE       ARG  15  12.157  -2.140   3.791
  131   1HH1  ARG  15          1HH1      ARG  15  12.420  -0.028   6.576
  132   2HH1  ARG  15          2HH1      ARG  15  13.318   1.188   5.726
  133   1HH2  ARG  15          1HH2      ARG  15  13.347  -0.547   2.680
  134   2HH2  ARG  15          2HH2      ARG  15  13.845   0.901   3.517
  135    H    ARG  16           H        ARG  16   8.373  -5.245   7.478
  136    HA   ARG  16           HA       ARG  16   7.629  -6.453   9.269
  137   1HB   ARG  16          2HB       ARG  16   7.170  -4.040  10.204
  138   2HB   ARG  16          1HB       ARG  16   5.492  -4.439   9.889
  139   1HG   ARG  16          2HG       ARG  16   5.850  -4.943  12.142
  140   2HG   ARG  16          1HG       ARG  16   5.879  -6.504  11.314
  141   1HD   ARG  16          2HD       ARG  16   8.242  -6.611  11.410
  142   2HD   ARG  16          1HD       ARG  16   8.369  -4.922  11.900
  143    HE   ARG  16           HE       ARG  16   6.887  -6.533  13.755
  144   1HH1  ARG  16          1HH1      ARG  16  10.079  -5.465  12.797
  145   2HH1  ARG  16          2HH1      ARG  16  10.789  -5.797  14.348
  146   1HH2  ARG  16          1HH2      ARG  16   7.789  -6.914  15.797
  147   2HH2  ARG  16          2HH2      ARG  16   9.481  -6.605  16.066
  148    H    GLY  17           H        GLY  17   6.151  -8.091   9.444
  149   1HA   GLY  17          2HA       GLY  17   4.155  -9.242   9.143
  150   2HA   GLY  17          1HA       GLY  17   3.506  -7.839   8.312
  151    H    MET  18           H        MET  18   4.826  -7.426   6.150
  152    HA   MET  18           HA       MET  18   4.985 -10.009   4.745
  153   1HB   MET  18          2HB       MET  18   2.752  -9.225   4.377
  154   2HB   MET  18          1HB       MET  18   3.325  -7.616   3.964
  155   1HG   MET  18          2HG       MET  18   4.082  -8.276   1.883
  156   2HG   MET  18          1HG       MET  18   4.143  -9.969   2.331
  157   1HE   MET  18          1HE       MET  18   1.407 -10.046  -0.453
  158   2HE   MET  18          2HE       MET  18   2.921 -10.741   0.125
  159   3HE   MET  18          3HE       MET  18   2.874  -9.068  -0.437
  160    H    LEU  19           H        LEU  19   6.651 -10.216   3.412
  161    HA   LEU  19           HA       LEU  19   8.594  -8.119   3.286
  162   1HB   LEU  19          2HB       LEU  19   8.505 -10.852   2.016
  163   2HB   LEU  19          1HB       LEU  19   9.889  -9.783   1.973
  164    HG   LEU  19           HG       LEU  19   8.683 -10.983   4.464
  165   1HD1  LEU  19          1HD1      LEU  19  11.254 -11.594   3.009
  166   2HD1  LEU  19          2HD1      LEU  19   9.832 -12.635   3.095
  167   3HD1  LEU  19          3HD1      LEU  19  10.756 -12.281   4.556
  168   1HD2  LEU  19          1HD2      LEU  19  10.623 -10.039   5.605
  169   2HD2  LEU  19          2HD2      LEU  19   9.652  -8.770   4.859
  170   3HD2  LEU  19          3HD2      LEU  19  11.157  -9.291   4.100
  171    H    GLU  20           H        GLU  20   6.368  -9.636   0.996
  172    HA   GLU  20           HA       GLU  20   7.354  -8.366  -1.325
  173   1HB   GLU  20          2HB       GLU  20   4.654  -9.524  -0.672
  174   2HB   GLU  20          1HB       GLU  20   5.012  -8.796  -2.231
  175   1HG   GLU  20          2HG       GLU  20   5.250 -11.183  -2.364
  176   2HG   GLU  20          1HG       GLU  20   6.819 -10.413  -2.563
  177    H    LEU  21           H        LEU  21   5.267  -7.297   1.222
  178    HA   LEU  21           HA       LEU  21   4.129  -5.087  -0.137
  179   1HB   LEU  21          2HB       LEU  21   4.452  -5.778   2.769
  180   2HB   LEU  21          1HB       LEU  21   3.737  -4.272   2.264
  181    HG   LEU  21           HG       LEU  21   2.680  -7.045   1.791
  182   1HD1  LEU  21          1HD1      LEU  21   2.238  -6.097   3.989
  183   2HD1  LEU  21          2HD1      LEU  21   0.754  -6.214   3.043
  184   3HD1  LEU  21          3HD1      LEU  21   1.554  -4.654   3.240
  185   1HD2  LEU  21          1HD2      LEU  21   0.830  -6.037   0.568
  186   2HD2  LEU  21          2HD2      LEU  21   2.365  -5.727  -0.249
  187   3HD2  LEU  21          3HD2      LEU  21   1.597  -4.452   0.696
  188    H    ASP  22           H        ASP  22   7.014  -5.508   1.840
  189    HA   ASP  22           HA       ASP  22   7.848  -2.913   2.221
  190   1HB   ASP  22          2HB       ASP  22   9.158  -4.489   3.293
  191   2HB   ASP  22          1HB       ASP  22   9.277  -5.518   1.873
  192    H    VAL  23           H        VAL  23   8.348  -4.923  -0.651
  193    HA   VAL  23           HA       VAL  23   9.985  -2.894  -1.889
  194    HB   VAL  23           HB       VAL  23  10.128  -4.440  -3.804
  195   1HG1  VAL  23          1HG1      VAL  23  11.758  -4.585  -2.023
  196   2HG1  VAL  23          2HG1      VAL  23  11.397  -6.198  -2.639
  197   3HG1  VAL  23          3HG1      VAL  23  10.702  -5.661  -1.110
  198   1HG2  VAL  23          1HG2      VAL  23   9.197  -6.686  -3.639
  199   2HG2  VAL  23          2HG2      VAL  23   7.923  -5.467  -3.626
  200   3HG2  VAL  23          3HG2      VAL  23   8.405  -6.252  -2.123
  201    H    VAL  24           H        VAL  24   6.651  -3.395  -1.736
  202    HA   VAL  24           HA       VAL  24   6.288  -2.073  -4.338
  203    HB   VAL  24           HB       VAL  24   3.986  -2.875  -4.380
  204   1HG1  VAL  24          1HG1      VAL  24   5.712  -4.210  -5.438
  205   2HG1  VAL  24          2HG1      VAL  24   4.460  -5.246  -4.755
  206   3HG1  VAL  24          3HG1      VAL  24   6.003  -5.065  -3.923
  207   1HG2  VAL  24          1HG2      VAL  24   4.676  -4.331  -1.830
  208   2HG2  VAL  24          2HG2      VAL  24   3.202  -4.551  -2.773
  209   3HG2  VAL  24          3HG2      VAL  24   3.528  -3.001  -1.996
  210    H    ILE  25           H        ILE  25   5.498  -1.826  -0.917
  211    HA   ILE  25           HA       ILE  25   3.496   0.141  -1.173
  212    HB   ILE  25           HB       ILE  25   5.313  -0.487   1.148
  213   1HG1  ILE  25          2HG1      ILE  25   2.403  -1.113   0.607
  214   2HG1  ILE  25          1HG1      ILE  25   3.735  -2.258   0.495
  215   1HG2  ILE  25          1HG2      ILE  25   4.591   1.824   1.350
  216   2HG2  ILE  25          2HG2      ILE  25   3.763   0.818   2.540
  217   3HG2  ILE  25          3HG2      ILE  25   2.915   1.341   1.085
  218   1HD1  ILE  25          1HD1      ILE  25   2.831  -0.860   3.003
  219   2HD1  ILE  25          2HD1      ILE  25   4.141  -2.036   2.883
  220   3HD1  ILE  25          3HD1      ILE  25   2.479  -2.530   2.561
  221    H    MET  26           H        MET  26   7.014   0.444  -0.787
  222    HA   MET  26           HA       MET  26   7.029   3.222  -0.362
  223   1HB   MET  26          2HB       MET  26   9.158   1.397  -1.465
  224   2HB   MET  26          1HB       MET  26   9.429   3.101  -1.137
  225   1HG   MET  26          2HG       MET  26   8.848   2.713   1.223
  226   2HG   MET  26          1HG       MET  26   8.658   0.997   0.871
  227   1HE   MET  26          1HE       MET  26  10.980   0.503  -1.222
  228   2HE   MET  26          2HE       MET  26  10.659  -0.596   0.119
  229   3HE   MET  26          3HE       MET  26  12.298  -0.012  -0.172
  230    HA   PRO  27           HA       PRO  27   7.771   3.713  -5.196
  231   1HB   PRO  27          2HB       PRO  27   6.441   1.221  -6.119
  232   2HB   PRO  27          1HB       PRO  27   7.857   2.052  -6.772
  233   1HG   PRO  27          2HG       PRO  27   8.135  -0.199  -5.383
  234   2HG   PRO  27          1HG       PRO  27   9.288   1.136  -5.194
  235   1HD   PRO  27          2HD       PRO  27   7.043   0.299  -3.403
  236   2HD   PRO  27          1HD       PRO  27   8.672   0.865  -2.981
  237    H    PHE  28           H        PHE  28   4.957   1.815  -4.138
  238    HA   PHE  28           HA       PHE  28   3.066   3.147  -5.755
  239   1HB   PHE  28          2HB       PHE  28   2.841   1.475  -3.268
  240   2HB   PHE  28          1HB       PHE  28   1.425   2.264  -3.948
  241    HD1  PHE  28           1HD      PHE  28   4.148   0.889  -6.018
  242    HD2  PHE  28           2HD      PHE  28   0.243   0.267  -4.443
  243    HE1  PHE  28           1HE      PHE  28   3.839  -1.012  -7.546
  244    HE2  PHE  28           2HE      PHE  28  -0.071  -1.639  -5.968
  245    HZ   PHE  28           HZ       PHE  28   1.731  -2.282  -7.522
  246    H    PHE  29           H        PHE  29   4.277   3.752  -2.503
  247    HA   PHE  29           HA       PHE  29   2.485   5.786  -1.770
  248   1HB   PHE  29          2HB       PHE  29   4.036   4.671  -0.194
  249   2HB   PHE  29          1HB       PHE  29   5.391   5.479  -0.973
  250    HD1  PHE  29           1HD      PHE  29   2.331   6.034   1.022
  251    HD2  PHE  29           2HD      PHE  29   5.993   7.681  -0.395
  252    HE1  PHE  29           1HE      PHE  29   2.064   7.939   2.555
  253    HE2  PHE  29           2HE      PHE  29   5.733   9.589   1.136
  254    HZ   PHE  29           HZ       PHE  29   3.765   9.720   2.615
  255    H    GLU  30           H        GLU  30   5.582   5.911  -3.476
  256    HA   GLU  30           HA       GLU  30   5.876   8.673  -3.680
  257   1HB   GLU  30          2HB       GLU  30   6.616   6.666  -5.815
  258   2HB   GLU  30          1HB       GLU  30   7.355   8.238  -5.535
  259   1HG   GLU  30          2HG       GLU  30   8.040   7.398  -3.288
  260   2HG   GLU  30          1HG       GLU  30   7.500   5.804  -3.790
  261    H    GLU  31           H        GLU  31   4.102   6.421  -5.685
  262    HA   GLU  31           HA       GLU  31   3.290   8.371  -7.614
  263   1HB   GLU  31          2HB       GLU  31   2.212   5.610  -7.033
  264   2HB   GLU  31          1HB       GLU  31   1.744   6.595  -8.410
  265   1HG   GLU  31          2HG       GLU  31   4.072   6.566  -9.197
  266   2HG   GLU  31          1HG       GLU  31   4.499   5.526  -7.838
  267    H    CYS  32           H        CYS  32   1.611   6.755  -4.912
  268    HA   CYS  32           HA       CYS  32  -0.884   8.014  -5.556
  269   1HB   CYS  32          2HB       CYS  32  -0.126   6.433  -3.095
  270   2HB   CYS  32          1HB       CYS  32  -1.759   6.820  -3.623
  271    HG   CYS  32           HG       CYS  32   0.426   4.571  -4.941
  272    H    PHE  33           H        PHE  33   1.776   8.829  -3.489
  273    HA   PHE  33           HA       PHE  33   0.546  10.274  -1.469
  274   1HB   PHE  33          2HB       PHE  33   2.901   9.818  -1.373
  275   2HB   PHE  33          1HB       PHE  33   3.199  10.731  -2.844
  276    HD1  PHE  33           1HD      PHE  33   2.152  11.050   0.690
  277    HD2  PHE  33           2HD      PHE  33   3.655  13.024  -2.766
  278    HE1  PHE  33           1HE      PHE  33   2.627  13.050   2.044
  279    HE2  PHE  33           2HE      PHE  33   4.123  15.030  -1.424
  280    HZ   PHE  33           HZ       PHE  33   3.614  15.045   0.986
  281    H    ASP  34           H        ASP  34   1.315  11.278  -4.748
  282    HA   ASP  34           HA       ASP  34   0.708  14.030  -4.372
  283   1HB   ASP  34          2HB       ASP  34   2.156  13.273  -6.187
  284   2HB   ASP  34          1HB       ASP  34   0.823  12.372  -6.902
  285    H    SER  35           H        SER  35  -1.251  11.252  -4.835
  286    HA   SER  35           HA       SER  35  -3.493  12.828  -5.861
  287   1HB   SER  35          2HB       SER  35  -3.345   9.833  -5.516
  288   2HB   SER  35          1HB       SER  35  -4.481  10.750  -6.508
  289    HG   SER  35           HG       SER  35  -2.422  11.511  -7.598
  290    H    LEU  36           H        LEU  36  -2.484  10.951  -3.073
  291    HA   LEU  36           HA       LEU  36  -5.127  10.701  -1.984
  292   1HB   LEU  36          2HB       LEU  36  -2.437  10.215  -0.710
  293   2HB   LEU  36          1HB       LEU  36  -3.979   9.776  -0.005
  294    HG   LEU  36           HG       LEU  36  -2.794   8.633  -2.535
  295   1HD1  LEU  36          1HD1      LEU  36  -2.648   6.563  -1.235
  296   2HD1  LEU  36          2HD1      LEU  36  -3.233   7.418   0.191
  297   3HD1  LEU  36          3HD1      LEU  36  -1.677   7.850  -0.519
  298   1HD2  LEU  36          1HD2      LEU  36  -5.229   8.767  -2.675
  299   2HD2  LEU  36          2HD2      LEU  36  -5.369   7.952  -1.117
  300   3HD2  LEU  36          3HD2      LEU  36  -4.694   7.094  -2.501
  301    H    THR  37           H        THR  37  -6.117  11.869  -0.456
  302    HA   THR  37           HA       THR  37  -4.947  14.387   0.391
  303    HB   THR  37           HB       THR  37  -7.151  14.661   1.586
  304    HG1  THR  37           1HG      THR  37  -7.839  12.273   0.159
  305   1HG2  THR  37          1HG2      THR  37  -8.457  15.001  -0.465
  306   2HG2  THR  37          2HG2      THR  37  -7.291  14.031  -1.366
  307   3HG2  THR  37          3HG2      THR  37  -6.799  15.571  -0.660
  308    H    GLU  38           H        GLU  38  -5.398  14.919   2.854
  309    HA   GLU  38           HA       GLU  38  -3.623  13.391   4.383
  310   1HB   GLU  38          2HB       GLU  38  -5.840  15.245   5.294
  311   2HB   GLU  38          1HB       GLU  38  -4.583  14.612   6.346
  312   1HG   GLU  38          2HG       GLU  38  -4.025  16.270   3.904
  313   2HG   GLU  38          1HG       GLU  38  -4.224  16.941   5.522
  314    H    SER  39           H        SER  39  -7.193  13.350   4.406
  315    HA   SER  39           HA       SER  39  -7.539  11.512   6.460
  316   1HB   SER  39          2HB       SER  39  -9.291  11.886   4.022
  317   2HB   SER  39          1HB       SER  39  -9.780  11.231   5.581
  318    HG   SER  39           HG       SER  39  -9.477  13.834   4.795
  319    H    GLU  40           H        GLU  40  -7.242  10.963   2.963
  320    HA   GLU  40           HA       GLU  40  -7.486   8.150   3.057
  321   1HB   GLU  40          2HB       GLU  40  -6.049   9.900   1.049
  322   2HB   GLU  40          1HB       GLU  40  -6.473   8.211   0.803
  323   1HG   GLU  40          2HG       GLU  40  -8.809   8.723   0.844
  324   2HG   GLU  40          1HG       GLU  40  -8.484  10.391   1.315
  325    H    GLN  41           H        GLN  41  -4.722  10.326   3.127
  326    HA   GLN  41           HA       GLN  41  -2.668   8.431   3.185
  327   1HB   GLN  41          2HB       GLN  41  -2.969  11.270   4.054
  328   2HB   GLN  41          1HB       GLN  41  -1.515  10.408   4.511
  329   1HG   GLN  41          2HG       GLN  41  -1.073   9.924   2.148
  330   2HG   GLN  41          1HG       GLN  41  -2.530  10.814   1.709
  331   1HE2  GLN  41          1HE2      GLN  41  -2.547  13.046   1.879
  332   2HE2  GLN  41          2HE2      GLN  41  -1.105  13.977   2.064
  333    H    ASP  42           H        ASP  42  -4.584   9.841   5.786
  334    HA   ASP  42           HA       ASP  42  -3.160   8.812   7.977
  335   1HB   ASP  42          2HB       ASP  42  -4.773  10.546   8.318
  336   2HB   ASP  42          1HB       ASP  42  -6.062   9.569   7.634
  337    H    ASP  43           H        ASP  43  -5.940   7.476   6.233
  338    HA   ASP  43           HA       ASP  43  -6.112   5.136   7.829
  339   1HB   ASP  43          2HB       ASP  43  -7.416   6.154   5.433
  340   2HB   ASP  43          1HB       ASP  43  -7.154   4.414   5.362
  341    H    PHE  44           H        PHE  44  -4.290   5.968   4.967
  342    HA   PHE  44           HA       PHE  44  -3.384   3.381   4.310
  343   1HB   PHE  44          2HB       PHE  44  -3.172   5.347   2.814
  344   2HB   PHE  44          1HB       PHE  44  -1.971   6.030   3.903
  345    HD1  PHE  44           1HD      PHE  44  -2.669   3.218   1.615
  346    HD2  PHE  44           2HD      PHE  44   0.290   5.376   3.784
  347    HE1  PHE  44           1HE      PHE  44  -0.898   2.019   0.393
  348    HE2  PHE  44           2HE      PHE  44   2.060   4.182   2.571
  349    HZ   PHE  44           HZ       PHE  44   1.469   2.501   0.872
  350    H    VAL  45           H        VAL  45  -2.002   5.915   6.385
  351    HA   VAL  45           HA       VAL  45   0.278   4.444   7.187
  352    HB   VAL  45           HB       VAL  45  -1.169   6.640   8.687
  353   1HG1  VAL  45          1HG1      VAL  45   0.301   5.376  10.157
  354   2HG1  VAL  45          2HG1      VAL  45   0.958   6.984   9.849
  355   3HG1  VAL  45          3HG1      VAL  45   1.635   5.582   9.022
  356   1HG2  VAL  45          1HG2      VAL  45  -0.452   7.358   6.473
  357   2HG2  VAL  45          2HG2      VAL  45   1.181   6.777   6.799
  358   3HG2  VAL  45          3HG2      VAL  45   0.525   8.128   7.723
  359    H    ALA  46           H        ALA  46  -2.968   4.784   8.559
  360    HA   ALA  46           HA       ALA  46  -2.615   3.230  10.858
  361   1HB   ALA  46          1HB       ALA  46  -5.100   3.448   9.169
  362   2HB   ALA  46          2HB       ALA  46  -4.598   4.608  10.400
  363   3HB   ALA  46          3HB       ALA  46  -5.020   2.957  10.860
  364    H    LEU  47           H        LEU  47  -3.195   2.264   7.524
  365    HA   LEU  47           HA       LEU  47  -3.708  -0.470   8.005
  366   1HB   LEU  47          2HB       LEU  47  -2.636   1.000   5.610
  367   2HB   LEU  47          1HB       LEU  47  -2.896  -0.732   5.602
  368    HG   LEU  47           HG       LEU  47  -5.045   1.332   6.084
  369   1HD1  LEU  47          1HD1      LEU  47  -5.845   0.721   3.857
  370   2HD1  LEU  47          2HD1      LEU  47  -4.447  -0.332   3.644
  371   3HD1  LEU  47          3HD1      LEU  47  -4.222   1.411   3.791
  372   1HD2  LEU  47          1HD2      LEU  47  -5.501  -0.784   7.201
  373   2HD2  LEU  47          2HD2      LEU  47  -5.199  -1.655   5.698
  374   3HD2  LEU  47          3HD2      LEU  47  -6.577  -0.563   5.821
  375    H    LEU  48           H        LEU  48  -0.732   1.348   7.551
  376    HA   LEU  48           HA       LEU  48   1.012  -0.865   7.311
  377   1HB   LEU  48          2HB       LEU  48   1.596   1.920   8.315
  378   2HB   LEU  48          1HB       LEU  48   2.796   0.747   7.806
  379    HG   LEU  48           HG       LEU  48   0.706   2.006   6.025
  380   1HD1  LEU  48          1HD1      LEU  48   2.412   3.597   6.673
  381   2HD1  LEU  48          2HD1      LEU  48   2.622   3.130   4.984
  382   3HD1  LEU  48          3HD1      LEU  48   3.679   2.453   6.224
  383   1HD2  LEU  48          1HD2      LEU  48   1.897   0.918   4.201
  384   2HD2  LEU  48          2HD2      LEU  48   1.269  -0.272   5.343
  385   3HD2  LEU  48          3HD2      LEU  48   2.983   0.147   5.356
  386    H    GLU  49           H        GLU  49  -0.400   0.759  10.029
  387    HA   GLU  49           HA       GLU  49   1.315  -0.392  12.010
  388   1HB   GLU  49          2HB       GLU  49  -1.334   1.037  12.138
  389   2HB   GLU  49          1HB       GLU  49  -0.533   0.399  13.569
  390   1HG   GLU  49          2HG       GLU  49   0.862   2.283  11.695
  391   2HG   GLU  49          1HG       GLU  49  -0.172   2.860  13.004
  392    H    SER  50           H        SER  50  -1.199  -1.584  10.120
  393    HA   SER  50           HA       SER  50  -1.929  -3.657  12.071
  394   1HB   SER  50          2HB       SER  50  -3.219  -3.071   9.396
  395   2HB   SER  50          1HB       SER  50  -3.868  -4.059  10.705
  396    HG   SER  50           HG       SER  50  -3.332  -1.271  10.898
  397    H    ASP  51           H        ASP  51  -2.288  -5.885  11.010
  398    HA   ASP  51           HA       ASP  51   0.098  -6.641   9.590
  399   1HB   ASP  51          2HB       ASP  51  -2.166  -8.074  10.869
  400   2HB   ASP  51          1HB       ASP  51  -1.337  -8.912   9.562
  401    H    ASP  52           H        ASP  52  -0.757  -8.645   7.856
  402    HA   ASP  52           HA       ASP  52  -2.064  -6.992   5.786
  403   1HB   ASP  52          2HB       ASP  52  -0.679  -8.303   4.171
  404   2HB   ASP  52          1HB       ASP  52   0.275  -7.351   5.306
  405    HA   PRO  53           HA       PRO  53  -4.366 -11.072   5.781
  406   1HB   PRO  53          2HB       PRO  53  -6.453 -10.449   7.576
  407   2HB   PRO  53          1HB       PRO  53  -5.094 -11.529   7.885
  408   1HG   PRO  53          2HG       PRO  53  -5.590  -9.077   9.157
  409   2HG   PRO  53          1HG       PRO  53  -4.086 -10.010   9.224
  410   1HD   PRO  53          2HD       PRO  53  -4.782  -7.646   7.539
  411   2HD   PRO  53          1HD       PRO  53  -3.219  -8.111   8.248
  412    H    ASP  54           H        ASP  54  -6.073  -8.039   6.516
  413    HA   ASP  54           HA       ASP  54  -8.171  -8.415   4.662
  414   1HB   ASP  54          2HB       ASP  54  -7.116  -5.744   5.619
  415   2HB   ASP  54          1HB       ASP  54  -8.752  -6.130   5.095
  416    H    LEU  55           H        LEU  55  -5.040  -6.829   4.514
  417    HA   LEU  55           HA       LEU  55  -5.279  -5.643   1.996
  418   1HB   LEU  55          2HB       LEU  55  -2.827  -6.723   3.383
  419   2HB   LEU  55          1HB       LEU  55  -2.804  -5.662   1.991
  420    HG   LEU  55           HG       LEU  55  -3.917  -4.946   4.704
  421   1HD1  LEU  55          1HD1      LEU  55  -1.971  -3.491   4.890
  422   2HD1  LEU  55          2HD1      LEU  55  -1.370  -4.078   3.340
  423   3HD1  LEU  55          3HD1      LEU  55  -1.483  -5.176   4.715
  424   1HD2  LEU  55          1HD2      LEU  55  -3.525  -3.280   2.220
  425   2HD2  LEU  55          2HD2      LEU  55  -4.032  -2.671   3.795
  426   3HD2  LEU  55          3HD2      LEU  55  -5.070  -3.785   2.904
  427    H    PHE  56           H        PHE  56  -3.876  -8.797   2.922
  428    HA   PHE  56           HA       PHE  56  -3.243  -9.684   0.352
  429   1HB   PHE  56          2HB       PHE  56  -2.509 -10.803   2.448
  430   2HB   PHE  56          1HB       PHE  56  -4.159 -11.345   2.720
  431    HD1  PHE  56           2HD      PHE  56  -1.356 -11.583   0.295
  432    HD2  PHE  56           1HD      PHE  56  -4.909 -13.350   1.836
  433    HE1  PHE  56           2HE      PHE  56  -0.930 -13.600  -1.048
  434    HE2  PHE  56           1HE      PHE  56  -4.491 -15.369   0.496
  435    HZ   PHE  56           HZ       PHE  56  -2.501 -15.496  -0.952
  436    H    ALA  57           H        ALA  57  -6.216 -10.018   2.228
  437    HA   ALA  57           HA       ALA  57  -7.464 -11.822   0.447
  438   1HB   ALA  57          1HB       ALA  57  -8.724 -10.083   2.556
  439   2HB   ALA  57          2HB       ALA  57  -8.008 -11.672   2.823
  440   3HB   ALA  57          3HB       ALA  57  -9.439 -11.512   1.806
  441    H    TRP  58           H        TRP  58  -7.587  -8.294   0.728
  442    HA   TRP  58           HA       TRP  58  -9.774  -8.080  -1.101
  443   1HB   TRP  58          2HB       TRP  58  -7.987  -6.115   0.241
  444   2HB   TRP  58          1HB       TRP  58  -8.927  -5.595  -1.156
  445    HD1  TRP  58           HD       TRP  58  -9.565  -7.328   2.250
  446    HE1  TRP  58           1HE      TRP  58 -11.861  -6.556   3.109
  447    HE3  TRP  58           3HE      TRP  58 -11.006  -4.450  -1.735
  448    HZ2  TRP  58           2HZ      TRP  58 -14.000  -4.971   2.214
  449    HZ3  TRP  58           3HZ      TRP  58 -13.211  -3.350  -1.646
  450    HH2  TRP  58           HH       TRP  58 -14.671  -3.610   0.289
  451    H    VAL  59           H        VAL  59  -6.280  -8.043  -1.412
  452    HA   VAL  59           HA       VAL  59  -6.185  -7.072  -4.070
  453    HB   VAL  59           HB       VAL  59  -4.255  -8.858  -2.580
  454   1HG1  VAL  59          1HG1      VAL  59  -3.877  -7.446  -5.224
  455   2HG1  VAL  59          2HG1      VAL  59  -3.964  -9.190  -4.973
  456   3HG1  VAL  59          3HG1      VAL  59  -2.612  -8.269  -4.312
  457   1HG2  VAL  59          1HG2      VAL  59  -4.448  -6.673  -1.589
  458   2HG2  VAL  59          2HG2      VAL  59  -4.256  -5.898  -3.162
  459   3HG2  VAL  59          3HG2      VAL  59  -2.909  -6.783  -2.443
  460    H    MET  60           H        MET  60  -6.483 -10.348  -2.726
  461    HA   MET  60           HA       MET  60  -6.571 -11.559  -5.341
  462   1HB   MET  60          2HB       MET  60  -7.020 -13.634  -4.202
  463   2HB   MET  60          1HB       MET  60  -5.755 -12.783  -3.327
  464   1HG   MET  60          2HG       MET  60  -7.411 -12.029  -1.687
  465   2HG   MET  60          1HG       MET  60  -8.666 -12.901  -2.560
  466   1HE   MET  60          1HE       MET  60  -8.686 -15.567  -2.823
  467   2HE   MET  60          2HE       MET  60  -7.488 -16.626  -2.083
  468   3HE   MET  60          3HE       MET  60  -7.022 -15.562  -3.411
  469    H    GLY  61           H        GLY  61  -8.819 -10.082  -3.201
  470   1HA   GLY  61          2HA       GLY  61 -10.937  -9.316  -3.818
  471   2HA   GLY  61          1HA       GLY  61 -10.893 -10.381  -5.213
  472    H    HIS  62           H        HIS  62 -10.323 -11.378  -1.880
  473    HA   HIS  62           HA       HIS  62 -12.905 -12.796  -1.940
  474   1HB   HIS  62          2HB       HIS  62 -11.069 -14.371  -2.442
  475   2HB   HIS  62          1HB       HIS  62 -10.272 -13.919  -0.941
  476    HD1  HIS  62           1HD      HIS  62 -10.709 -15.425   0.954
  477    HD2  HIS  62           2HD      HIS  62 -13.764 -15.576  -1.867
  478    HE1  HIS  62           1HE      HIS  62 -12.319 -17.172   1.787
  479    HE2  HIS  62           2HE      HIS  62 -14.228 -17.156   0.134
  480    H    GLY  63           H        GLY  63 -11.131 -10.498  -0.429
  481   1HA   GLY  63          2HA       GLY  63 -11.833 -11.295   2.289
  482   2HA   GLY  63          1HA       GLY  63 -10.766  -9.972   1.844
  483    H    ARG  64           H        ARG  64 -12.768  -9.743   3.740
  484    HA   ARG  64           HA       ARG  64 -14.556  -7.816   2.410
  485   1HB   ARG  64          2HB       ARG  64 -15.321  -9.617   4.715
  486   2HB   ARG  64          1HB       ARG  64 -16.346  -8.399   3.975
  487   1HG   ARG  64          2HG       ARG  64 -15.304 -10.879   2.622
  488   2HG   ARG  64          1HG       ARG  64 -16.938 -10.641   3.243
  489   1HD   ARG  64          2HD       ARG  64 -17.241  -8.773   1.673
  490   2HD   ARG  64          1HD       ARG  64 -15.622  -9.066   1.033
  491    HE   ARG  64           HE       ARG  64 -17.327 -11.383   0.960
  492   1HH1  ARG  64          1HH1      ARG  64 -16.378  -8.476  -0.767
  493   2HH1  ARG  64          2HH1      ARG  64 -16.872  -9.087  -2.314
  494   1HH2  ARG  64          1HH2      ARG  64 -17.961 -12.174  -1.068
  495   2HH2  ARG  64          2HH2      ARG  64 -17.765 -11.192  -2.490
  496    H    CYS  65           H        CYS  65 -14.812  -5.890   3.439
  497    HA   CYS  65           HA       CYS  65 -13.940  -5.573   6.186
  498   1HB   CYS  65          2HB       CYS  65 -11.879  -5.192   4.823
  499   2HB   CYS  65          1HB       CYS  65 -12.718  -3.892   3.983
  500    HG   CYS  65           HG       CYS  65 -10.888  -3.643   6.591
  501    H    GLU  66           H        GLU  66 -15.395  -4.364   7.167
  502    HA   GLU  66           HA       GLU  66 -17.570  -3.272   5.737
  503   1HB   GLU  66          2HB       GLU  66 -16.856  -2.750   8.624
  504   2HB   GLU  66          1HB       GLU  66 -18.439  -2.582   7.878
  505   1HG   GLU  66          2HG       GLU  66 -16.936  -5.082   8.551
  506   2HG   GLU  66          1HG       GLU  66 -18.555  -4.592   9.045
  507    H    ASN  67           H        ASN  67 -14.636  -1.874   7.047
  508    HA   ASN  67           HA       ASN  67 -15.578   0.828   6.654
  509   1HB   ASN  67          2HB       ASN  67 -12.852  -0.239   7.418
  510   2HB   ASN  67          1HB       ASN  67 -13.260   1.471   7.313
  511   1HD2  ASN  67          1HD2      ASN  67 -12.370  -0.144   9.577
  512   2HD2  ASN  67          2HD2      ASN  67 -13.582   0.034  10.800
  513    H    LEU  68           H        LEU  68 -15.973   1.126   4.531
  514    HA   LEU  68           HA       LEU  68 -14.242   0.184   2.474
  515   1HB   LEU  68          2HB       LEU  68 -16.530   2.141   2.434
  516   2HB   LEU  68          1HB       LEU  68 -15.662   1.633   0.999
  517    HG   LEU  68           HG       LEU  68 -17.330  -0.110   2.815
  518   1HD1  LEU  68          1HD1      LEU  68 -17.643   0.643  -0.086
  519   2HD1  LEU  68          2HD1      LEU  68 -18.588   1.298   1.251
  520   3HD1  LEU  68          3HD1      LEU  68 -18.711  -0.413   0.839
  521   1HD2  LEU  68          1HD2      LEU  68 -16.800  -1.935   1.276
  522   2HD2  LEU  68          2HD2      LEU  68 -15.348  -1.325   2.070
  523   3HD2  LEU  68          3HD2      LEU  68 -15.695  -0.877   0.399
  524    H    GLY  69           H        GLY  69 -14.251   2.932   4.487
  525   1HA   GLY  69          2HA       GLY  69 -12.676   4.705   2.985
  526   2HA   GLY  69          1HA       GLY  69 -12.643   4.557   4.741
  527    H    LEU  70           H        LEU  70 -11.711   2.058   5.152
  528    HA   LEU  70           HA       LEU  70  -8.948   2.168   4.650
  529   1HB   LEU  70          2HB       LEU  70 -10.781  -0.074   5.494
  530   2HB   LEU  70          1HB       LEU  70  -9.048  -0.298   5.323
  531    HG   LEU  70           HG       LEU  70 -10.359   1.658   7.214
  532   1HD1  LEU  70          1HD1      LEU  70  -9.038  -0.996   7.773
  533   2HD1  LEU  70          2HD1      LEU  70 -10.769  -0.670   7.854
  534   3HD1  LEU  70          3HD1      LEU  70  -9.669   0.128   8.977
  535   1HD2  LEU  70          1HD2      LEU  70  -8.115   1.875   8.160
  536   2HD2  LEU  70          2HD2      LEU  70  -8.158   2.387   6.474
  537   3HD2  LEU  70          3HD2      LEU  70  -7.480   0.816   6.900
  538    H    ALA  71           H        ALA  71 -11.582   0.465   3.064
  539    HA   ALA  71           HA       ALA  71 -10.008  -1.093   1.317
  540   1HB   ALA  71          1HB       ALA  71 -12.852  -0.177   0.951
  541   2HB   ALA  71          2HB       ALA  71 -12.344  -1.599   1.862
  542   3HB   ALA  71          3HB       ALA  71 -12.068  -1.520   0.122
  543    H    ALA  72           H        ALA  72 -11.010   2.221   1.205
  544    HA   ALA  72           HA       ALA  72 -10.999   2.718  -1.536
  545   1HB   ALA  72          1HB       ALA  72 -11.794   4.332   0.117
  546   2HB   ALA  72          2HB       ALA  72 -10.598   5.055  -0.961
  547   3HB   ALA  72          3HB       ALA  72 -10.140   4.581   0.675
  548    H    MET  73           H        MET  73  -8.296   3.006   0.786
  549    HA   MET  73           HA       MET  73  -6.384   3.641  -1.216
  550   1HB   MET  73          2HB       MET  73  -6.276   2.919   1.667
  551   2HB   MET  73          1HB       MET  73  -4.799   2.736   0.733
  552   1HG   MET  73          2HG       MET  73  -4.907   4.904   1.840
  553   2HG   MET  73          1HG       MET  73  -4.873   5.064   0.085
  554   1HE   MET  73          1HE       MET  73  -6.979   5.360   3.341
  555   2HE   MET  73          2HE       MET  73  -7.885   4.121   2.474
  556   3HE   MET  73          3HE       MET  73  -8.596   5.716   2.729
  557    H    VAL  74           H        VAL  74  -7.590   0.649   0.098
  558    HA   VAL  74           HA       VAL  74  -5.586  -1.056  -0.940
  559    HB   VAL  74           HB       VAL  74  -8.505  -1.685  -0.440
  560   1HG1  VAL  74          1HG1      VAL  74  -6.121  -3.520  -0.697
  561   2HG1  VAL  74          2HG1      VAL  74  -7.421  -3.333  -1.874
  562   3HG1  VAL  74          3HG1      VAL  74  -7.763  -4.012  -0.283
  563   1HG2  VAL  74          1HG2      VAL  74  -6.106  -1.984   1.368
  564   2HG2  VAL  74          2HG2      VAL  74  -7.738  -2.555   1.720
  565   3HG2  VAL  74          3HG2      VAL  74  -7.425  -0.827   1.559
  566    H    ASP  75           H        ASP  75  -8.655   0.145  -2.232
  567    HA   ASP  75           HA       ASP  75  -8.696  -1.261  -4.655
  568   1HB   ASP  75          2HB       ASP  75 -10.634  -0.024  -3.868
  569   2HB   ASP  75          1HB       ASP  75  -9.763   1.498  -4.002
  570    H    LYS  76           H        LYS  76  -7.128   1.773  -3.774
  571    HA   LYS  76           HA       LYS  76  -6.198   2.550  -6.303
  572   1HB   LYS  76          2HB       LYS  76  -4.633   2.909  -3.743
  573   2HB   LYS  76          1HB       LYS  76  -4.616   3.935  -5.168
  574   1HG   LYS  76          2HG       LYS  76  -7.017   3.586  -3.401
  575   2HG   LYS  76          1HG       LYS  76  -5.825   4.864  -3.191
  576   1HD   LYS  76          2HD       LYS  76  -7.478   4.410  -5.674
  577   2HD   LYS  76          1HD       LYS  76  -7.827   5.605  -4.426
  578   1HE   LYS  76          2HE       LYS  76  -5.513   6.537  -4.870
  579   2HE   LYS  76          1HE       LYS  76  -5.481   5.506  -6.298
  580   1HZ   LYS  76          1HZ       LYS  76  -6.250   7.567  -7.053
  581   2HZ   LYS  76          2HZ       LYS  76  -7.273   7.785  -5.716
  582   3HZ   LYS  76          3HZ       LYS  76  -7.664   6.637  -6.899
  583    H    ILE  77           H        ILE  77  -4.856   0.370  -3.886
  584    HA   ILE  77           HA       ILE  77  -2.435  -0.180  -5.283
  585    HB   ILE  77           HB       ILE  77  -3.821  -1.797  -3.138
  586   1HG1  ILE  77          2HG1      ILE  77  -1.571   0.217  -2.913
  587   2HG1  ILE  77          1HG1      ILE  77  -3.245   0.518  -2.466
  588   1HG2  ILE  77          1HG2      ILE  77  -2.216  -3.129  -4.404
  589   2HG2  ILE  77          2HG2      ILE  77  -1.646  -2.834  -2.762
  590   3HG2  ILE  77          3HG2      ILE  77  -0.966  -1.920  -4.109
  591   1HD1  ILE  77          1HD1      ILE  77  -1.450  -1.533  -1.199
  592   2HD1  ILE  77          2HD1      ILE  77  -3.115  -1.175  -0.735
  593   3HD1  ILE  77          3HD1      ILE  77  -1.857   0.044  -0.524
  594    H    VAL  78           H        VAL  78  -5.535  -1.881  -4.957
  595    HA   VAL  78           HA       VAL  78  -4.913  -4.207  -6.342
  596    HB   VAL  78           HB       VAL  78  -7.567  -2.771  -6.187
  597   1HG1  VAL  78          1HG1      VAL  78  -6.976  -5.612  -7.015
  598   2HG1  VAL  78          2HG1      VAL  78  -7.564  -4.323  -8.067
  599   3HG1  VAL  78          3HG1      VAL  78  -8.581  -4.928  -6.759
  600   1HG2  VAL  78          1HG2      VAL  78  -8.059  -4.400  -4.420
  601   2HG2  VAL  78          2HG2      VAL  78  -6.657  -3.409  -4.014
  602   3HG2  VAL  78          3HG2      VAL  78  -6.434  -5.064  -4.583
  603    H    ALA  79           H        ALA  79  -6.267  -1.176  -7.629
  604    HA   ALA  79           HA       ALA  79  -6.487  -1.975 -10.300
  605   1HB   ALA  79          1HB       ALA  79  -6.495   0.408 -10.840
  606   2HB   ALA  79          2HB       ALA  79  -5.895   0.781  -9.223
  607   3HB   ALA  79          3HB       ALA  79  -7.498   0.073  -9.429
  608    H    HIS  80           H        HIS  80  -3.759  -0.701  -8.489
  609    HA   HIS  80           HA       HIS  80  -2.081  -0.292 -10.756
  610   1HB   HIS  80          2HB       HIS  80  -1.903   0.793  -8.436
  611   2HB   HIS  80          1HB       HIS  80  -1.110  -0.693  -7.933
  612    HD1  HIS  80           1HD      HIS  80   0.681  -1.091 -10.489
  613    HD2  HIS  80           2HD      HIS  80   0.231   2.482  -8.411
  614    HE1  HIS  80           1HE      HIS  80   2.755   0.244 -10.978
  615    HE2  HIS  80           2HE      HIS  80   2.537   2.329  -9.569
  616    H    ASN  81           H        ASN  81  -2.323  -2.883  -8.306
  617    HA   ASN  81           HA       ASN  81  -0.095  -4.298  -9.391
  618   1HB   ASN  81          2HB       ASN  81  -0.422  -5.934  -7.759
  619   2HB   ASN  81          1HB       ASN  81  -0.999  -4.465  -6.990
  620   1HD2  ASN  81          1HD2      ASN  81  -1.882  -7.542  -8.326
  621   2HD2  ASN  81          2HD2      ASN  81  -3.487  -7.577  -7.691
  622    H    LEU  82           H        LEU  82  -3.608  -4.592  -9.829
  623    HA   LEU  82           HA       LEU  82  -3.564  -6.992 -11.268
  624   1HB   LEU  82          2HB       LEU  82  -5.452  -4.668 -11.175
  625   2HB   LEU  82          1HB       LEU  82  -5.724  -6.000 -12.268
  626    HG   LEU  82           HG       LEU  82  -5.607  -6.157  -9.260
  627   1HD1  LEU  82          1HD1      LEU  82  -7.668  -5.185 -10.128
  628   2HD1  LEU  82          2HD1      LEU  82  -7.959  -6.791  -9.459
  629   3HD1  LEU  82          3HD1      LEU  82  -7.874  -6.566 -11.206
  630   1HD2  LEU  82          1HD2      LEU  82  -4.624  -8.150 -10.281
  631   2HD2  LEU  82          2HD2      LEU  82  -6.060  -8.347 -11.286
  632   3HD2  LEU  82          3HD2      LEU  82  -6.179  -8.515  -9.534
  633    H    SER  83           H        SER  83  -2.956  -3.695 -12.224
  634    HA   SER  83           HA       SER  83  -3.117  -4.047 -15.007
  635   1HB   SER  83          2HB       SER  83  -3.133  -1.838 -13.938
  636   2HB   SER  83          1HB       SER  83  -1.473  -2.075 -13.400
  637    HG   SER  83           HG       SER  83  -2.448  -1.321 -15.860
  638    H    LYS  84           H        LYS  84  -0.342  -4.260 -12.770
  639    HA   LYS  84           HA       LYS  84   1.514  -4.875 -14.840
  640   1HB   LYS  84          2HB       LYS  84   3.124  -5.252 -13.137
  641   2HB   LYS  84          1HB       LYS  84   2.114  -3.930 -12.574
  642   1HG   LYS  84          2HG       LYS  84   0.855  -5.560 -11.186
  643   2HG   LYS  84          1HG       LYS  84   2.009  -6.802 -11.677
  644   1HD   LYS  84          2HD       LYS  84   2.657  -4.257 -10.186
  645   2HD   LYS  84          1HD       LYS  84   2.586  -5.876  -9.492
  646   1HE   LYS  84          2HE       LYS  84   4.482  -5.007 -11.669
  647   2HE   LYS  84          1HE       LYS  84   4.889  -5.104  -9.958
  648   1HZ   LYS  84          1HZ       LYS  84   4.309  -7.506 -10.070
  649   2HZ   LYS  84          2HZ       LYS  84   5.649  -7.073 -11.014
  650   3HZ   LYS  84          3HZ       LYS  84   4.149  -7.355 -11.752
  651    H    VAL  85           H        VAL  85  -0.716  -6.738 -12.962
  652    HA   VAL  85           HA       VAL  85   0.456  -9.300 -13.417
  653    HB   VAL  85           HB       VAL  85  -2.391  -8.531 -12.734
  654   1HG1  VAL  85          1HG1      VAL  85  -2.368 -10.700 -13.853
  655   2HG1  VAL  85          2HG1      VAL  85  -2.735 -10.880 -12.137
  656   3HG1  VAL  85          3HG1      VAL  85  -1.125 -11.273 -12.740
  657   1HG2  VAL  85          1HG2      VAL  85  -0.149  -9.626 -11.037
  658   2HG2  VAL  85          2HG2      VAL  85  -1.801  -9.336 -10.491
  659   3HG2  VAL  85          3HG2      VAL  85  -0.788  -7.983 -10.994
  660    H    ARG  86           H        ARG  86  -1.994  -7.363 -15.070
  661    HA   ARG  86           HA       ARG  86  -2.507  -9.230 -17.137
  662   1HB   ARG  86          2HB       ARG  86  -4.179  -7.671 -16.950
  663   2HB   ARG  86          1HB       ARG  86  -3.071  -6.368 -16.559
  664   1HG   ARG  86          2HG       ARG  86  -4.055  -5.893 -18.649
  665   2HG   ARG  86          1HG       ARG  86  -2.377  -6.335 -18.945
  666   1HD   ARG  86          2HD       ARG  86  -3.728  -8.740 -19.116
  667   2HD   ARG  86          1HD       ARG  86  -4.825  -7.588 -19.882
  668    HE   ARG  86           HE       ARG  86  -1.992  -7.809 -20.680
  669   1HH1  ARG  86          1HH1      ARG  86  -5.398  -7.793 -21.490
  670   2HH1  ARG  86          2HH1      ARG  86  -5.117  -7.734 -23.206
  671   1HH2  ARG  86          1HH2      ARG  86  -1.612  -7.760 -22.918
  672   2HH2  ARG  86          2HH2      ARG  86  -2.958  -7.735 -24.023
  673    H    LEU  87           H        LEU  87  -0.159  -6.693 -16.636
  674    HA   LEU  87           HA       LEU  87   0.773  -6.468 -19.278
  675   1HB   LEU  87          2HB       LEU  87   1.113  -4.762 -17.574
  676   2HB   LEU  87          1HB       LEU  87   2.106  -5.866 -16.642
  677    HG   LEU  87           HG       LEU  87   3.721  -5.914 -18.524
  678   1HD1  LEU  87          1HD1      LEU  87   1.979  -3.707 -19.602
  679   2HD1  LEU  87          2HD1      LEU  87   2.258  -5.285 -20.339
  680   3HD1  LEU  87          3HD1      LEU  87   3.581  -4.126 -20.209
  681   1HD2  LEU  87          1HD2      LEU  87   3.141  -3.200 -17.350
  682   2HD2  LEU  87          2HD2      LEU  87   4.676  -3.714 -18.050
  683   3HD2  LEU  87          3HD2      LEU  87   4.074  -4.485 -16.582
  684    H    GLU  88           H        GLU  88   2.324  -8.016 -16.455
  685    HA   GLU  88           HA       GLU  88   3.798  -9.727 -16.235
  686   1HB   GLU  88          2HB       GLU  88   2.565 -10.613 -18.840
  687   2HB   GLU  88          1HB       GLU  88   3.688 -11.584 -17.902
  688   1HG   GLU  88          2HG       GLU  88   2.099 -11.521 -16.015
  689   2HG   GLU  88          1HG       GLU  88   0.959 -10.660 -17.053
  690    H    HIS  89           H        HIS  89   4.405  -7.313 -18.178
  691    HA   HIS  89           HA       HIS  89   6.505  -8.567 -19.767
  692   1HB   HIS  89          2HB       HIS  89   4.792  -6.800 -20.619
  693   2HB   HIS  89          1HB       HIS  89   5.870  -5.638 -19.850
  694    HD1  HIS  89           1HD      HIS  89   6.293  -8.584 -22.238
  695    HD2  HIS  89           2HD      HIS  89   7.704  -4.718 -21.615
  696    HE1  HIS  89           1HE      HIS  89   7.884  -8.123 -24.132
  697    HE2  HIS  89           2HE      HIS  89   8.815  -5.830 -23.670
  698    H    HIS  90           H        HIS  90   6.473  -7.953 -16.781
  699    HA   HIS  90           HA       HIS  90   9.210  -6.885 -16.732
  700   1HB   HIS  90          2HB       HIS  90   6.912  -6.167 -14.924
  701   2HB   HIS  90          1HB       HIS  90   8.569  -6.079 -14.339
  702    HD1  HIS  90           1HD      HIS  90   9.787  -3.963 -14.788
  703    HD2  HIS  90           2HD      HIS  90   6.464  -4.426 -17.253
  704    HE1  HIS  90           1HE      HIS  90   9.575  -1.802 -16.061
  705    HE2  HIS  90           2HE      HIS  90   7.511  -2.068 -17.487
  706    H    HIS  91           H        HIS  91  10.466  -7.703 -14.863
  707    HA   HIS  91           HA       HIS  91   9.830 -10.505 -14.475
  708   1HB   HIS  91          2HB       HIS  91  12.241  -8.858 -13.705
  709   2HB   HIS  91          1HB       HIS  91  12.071 -10.570 -13.328
  710    HD1  HIS  91           1HD      HIS  91  11.586 -12.093 -15.608
  711    HD2  HIS  91           2HD      HIS  91  13.481  -8.415 -16.064
  712    HE1  HIS  91           1HE      HIS  91  12.736 -12.195 -17.845
  713    HE2  HIS  91           2HE      HIS  91  13.717  -9.896 -18.178
  714    H    HIS  92           H        HIS  92  10.191 -11.463 -12.271
  715    HA   HIS  92           HA       HIS  92   8.341 -10.257 -10.467
  716   1HB   HIS  92          2HB       HIS  92   9.104 -12.809 -10.923
  717   2HB   HIS  92          1HB       HIS  92  10.092 -12.458  -9.510
  718    HD1  HIS  92           1HD      HIS  92   8.962 -12.723  -7.286
  719    HD2  HIS  92           2HD      HIS  92   6.247 -12.373 -10.425
  720    HE1  HIS  92           1HE      HIS  92   6.692 -13.148  -6.281
  721    HE2  HIS  92           2HE      HIS  92   5.104 -13.156  -8.241
  722    H    HIS  93           H        HIS  93   8.911  -8.496  -9.342
  723    HA   HIS  93           HA       HIS  93  11.597  -7.781  -8.816
  724   1HB   HIS  93          2HB       HIS  93   9.743  -6.144  -9.102
  725   2HB   HIS  93          1HB       HIS  93   9.099  -6.644  -7.542
  726    HD1  HIS  93           1HD      HIS  93  12.329  -5.179  -8.936
  727    HD2  HIS  93           2HD      HIS  93  10.021  -5.151  -5.472
  728    HE1  HIS  93           1HE      HIS  93  13.438  -3.525  -7.391
  729    HE2  HIS  93           2HE      HIS  93  12.055  -3.551  -5.280
  730    H    HIS  94           H        HIS  94   9.393  -9.767  -7.110
  731    HA   HIS  94           HA       HIS  94  11.402 -10.265  -5.098
  732   1HB   HIS  94          2HB       HIS  94   9.726  -8.353  -4.350
  733   2HB   HIS  94          1HB       HIS  94   8.661  -9.716  -4.026
  734    HD1  HIS  94           1HD      HIS  94   8.972 -10.867  -1.812
  735    HD2  HIS  94           2HD      HIS  94  12.232  -8.505  -2.864
  736    HE1  HIS  94           1HE      HIS  94  10.479 -10.860   0.192
  737    HE2  HIS  94           2HE      HIS  94  12.544  -9.626  -0.555
  Start of MODEL    7
    1   1H    MET   1          1HT       MET   1  -0.441  20.181   5.759
    2   2H    MET   1          2HT       MET   1  -1.503  18.932   5.309
    3   3H    MET   1          3HT       MET   1  -1.522  20.405   4.469
    4    HA   MET   1           HA       MET   1  -0.424  18.610   3.253
    5   1HB   MET   1          2HB       MET   1   1.553  19.894   2.600
    6   2HB   MET   1          1HB       MET   1   0.155  20.944   2.786
    7   1HG   MET   1          2HG       MET   1   0.968  21.679   4.951
    8   2HG   MET   1          1HG       MET   1   2.346  20.590   4.820
    9   1HE   MET   1          1HE       MET   1   3.942  24.163   4.427
   10   2HE   MET   1          2HE       MET   1   3.985  22.650   5.331
   11   3HE   MET   1          3HE       MET   1   2.583  23.713   5.457
   12    H    TYR   2           H        TYR   2   0.958  16.948   3.210
   13    HA   TYR   2           HA       TYR   2   2.562  16.486   5.633
   14   1HB   TYR   2          2HB       TYR   2   1.485  14.505   3.616
   15   2HB   TYR   2          1HB       TYR   2   2.539  14.085   4.962
   16    HD1  TYR   2           1HD      TYR   2   1.340  15.825   7.086
   17    HD2  TYR   2           2HD      TYR   2  -0.478  13.345   4.155
   18    HE1  TYR   2           1HE      TYR   2  -0.618  15.548   8.545
   19    HE2  TYR   2           2HE      TYR   2  -2.445  13.067   5.601
   20    HH   TYR   2           HH       TYR   2  -3.066  15.005   8.251
   21    H    THR   3           H        THR   3   4.678  16.564   5.486
   22    HA   THR   3           HA       THR   3   5.868  16.672   2.794
   23    HB   THR   3           HB       THR   3   7.699  17.990   3.887
   24    HG1  THR   3           1HG      THR   3   5.882  18.198   6.079
   25   1HG2  THR   3          1HG2      THR   3   5.946  19.134   2.662
   26   2HG2  THR   3          2HG2      THR   3   6.389  20.071   4.089
   27   3HG2  THR   3          3HG2      THR   3   4.906  19.119   4.087
   28    H    ALA   4           H        ALA   4   8.540  16.463   3.506
   29    HA   ALA   4           HA       ALA   4   8.922  13.692   3.652
   30   1HB   ALA   4          1HB       ALA   4  11.287  14.168   3.842
   31   2HB   ALA   4          2HB       ALA   4  10.943  15.841   4.278
   32   3HB   ALA   4          3HB       ALA   4  10.552  15.251   2.661
   33    H    GLU   5           H        GLU   5   8.866  16.137   6.161
   34    HA   GLU   5           HA       GLU   5   9.912  14.663   8.287
   35   1HB   GLU   5          2HB       GLU   5   9.287  17.135   8.154
   36   2HB   GLU   5          1HB       GLU   5   7.642  16.632   8.505
   37   1HG   GLU   5          2HG       GLU   5   9.766  15.687  10.334
   38   2HG   GLU   5          1HG       GLU   5   9.354  17.396  10.378
   39    H    GLN   6           H        GLN   6   6.622  14.862   7.006
   40    HA   GLN   6           HA       GLN   6   5.475  13.090   8.907
   41   1HB   GLN   6          2HB       GLN   6   4.599  14.085   6.211
   42   2HB   GLN   6          1HB       GLN   6   3.685  12.848   7.056
   43   1HG   GLN   6          2HG       GLN   6   2.713  15.018   7.431
   44   2HG   GLN   6          1HG       GLN   6   3.361  14.377   8.936
   45   1HE2  GLN   6          1HE2      GLN   6   5.047  15.404   9.925
   46   2HE2  GLN   6          2HE2      GLN   6   5.642  16.948   9.428
   47    H    LYS   7           H        LYS   7   6.909  12.699   5.712
   48    HA   LYS   7           HA       LYS   7   6.343   9.972   5.356
   49   1HB   LYS   7          2HB       LYS   7   8.631  11.659   4.349
   50   2HB   LYS   7          1HB       LYS   7   8.406   9.981   3.888
   51   1HG   LYS   7          2HG       LYS   7   6.108  10.661   3.062
   52   2HG   LYS   7          1HG       LYS   7   6.649  12.330   3.262
   53   1HD   LYS   7          2HD       LYS   7   6.988  11.592   0.963
   54   2HD   LYS   7          1HD       LYS   7   8.536  11.892   1.754
   55   1HE   LYS   7          2HE       LYS   7   8.762   9.479   2.184
   56   2HE   LYS   7          1HE       LYS   7   7.237   9.196   1.350
   57   1HZ   LYS   7          1HZ       LYS   7   8.255  10.144  -0.668
   58   2HZ   LYS   7          2HZ       LYS   7   9.058   8.750  -0.125
   59   3HZ   LYS   7          3HZ       LYS   7   9.733  10.278   0.153
   60    H    ALA   8           H        ALA   8   8.889  11.617   7.138
   61    HA   ALA   8           HA       ALA   8  10.534   9.394   7.655
   62   1HB   ALA   8          1HB       ALA   8  11.233  11.704   8.053
   63   2HB   ALA   8          2HB       ALA   8  11.437  10.711   9.497
   64   3HB   ALA   8          3HB       ALA   8  10.076  11.827   9.378
   65    H    ARG   9           H        ARG   9   7.739  10.696   9.406
   66    HA   ARG   9           HA       ARG   9   7.832   8.925  11.596
   67   1HB   ARG   9          2HB       ARG   9   5.334  10.094  10.361
   68   2HB   ARG   9          1HB       ARG   9   5.534   9.537  12.016
   69   1HG   ARG   9          2HG       ARG   9   7.159  11.351  12.396
   70   2HG   ARG   9          1HG       ARG   9   6.861  11.929  10.755
   71   1HD   ARG   9          2HD       ARG   9   4.420  12.081  11.397
   72   2HD   ARG   9          1HD       ARG   9   4.933  11.811  13.062
   73    HE   ARG   9           HE       ARG   9   6.329  13.974  11.765
   74   1HH1  ARG   9          1HH1      ARG   9   3.545  13.072  13.702
   75   2HH1  ARG   9          2HH1      ARG   9   3.196  14.703  14.187
   76   1HH2  ARG   9          1HH2      ARG   9   5.872  16.113  12.394
   77   2HH2  ARG   9          2HH2      ARG   9   4.503  16.436  13.425
   78    H    ILE  10           H        ILE  10   6.423   8.695   8.398
   79    HA   ILE  10           HA       ILE  10   5.150   6.176   8.750
   80    HB   ILE  10           HB       ILE  10   6.098   7.507   6.202
   81   1HG1  ILE  10          2HG1      ILE  10   3.370   7.547   7.516
   82   2HG1  ILE  10          1HG1      ILE  10   4.517   8.879   7.538
   83   1HG2  ILE  10          1HG2      ILE  10   5.699   5.156   5.842
   84   2HG2  ILE  10          2HG2      ILE  10   4.384   6.081   5.116
   85   3HG2  ILE  10          3HG2      ILE  10   4.138   5.257   6.657
   86   1HD1  ILE  10          1HD1      ILE  10   2.782   9.228   5.874
   87   2HD1  ILE  10          2HD1      ILE  10   3.230   7.716   5.084
   88   3HD1  ILE  10          3HD1      ILE  10   4.366   9.063   5.114
   89    H    LYS  11           H        LYS  11   8.292   7.227   7.537
   90    HA   LYS  11           HA       LYS  11   9.289   4.904   6.441
   91   1HB   LYS  11          2HB       LYS  11  10.593   6.760   6.056
   92   2HB   LYS  11          1HB       LYS  11  10.473   7.329   7.710
   93   1HG   LYS  11          2HG       LYS  11  12.708   6.736   7.414
   94   2HG   LYS  11          1HG       LYS  11  12.002   5.408   8.331
   95   1HD   LYS  11          2HD       LYS  11  11.811   4.091   6.280
   96   2HD   LYS  11          1HD       LYS  11  12.500   5.430   5.354
   97   1HE   LYS  11          2HE       LYS  11  14.543   5.292   6.712
   98   2HE   LYS  11          1HE       LYS  11  13.858   3.922   7.584
   99   1HZ   LYS  11          1HZ       LYS  11  14.521   4.016   4.691
  100   2HZ   LYS  11          2HZ       LYS  11  13.769   2.712   5.469
  101   3HZ   LYS  11          3HZ       LYS  11  15.349   3.158   5.893
  102    H    TRP  12           H        TRP  12   9.260   5.852   9.856
  103    HA   TRP  12           HA       TRP  12  10.875   3.662  10.696
  104   1HB   TRP  12          2HB       TRP  12   9.100   5.571  12.201
  105   2HB   TRP  12          1HB       TRP  12   9.943   4.256  12.999
  106    HD1  TRP  12           HD       TRP  12  10.893   7.280  10.729
  107    HE1  TRP  12           1HE      TRP  12  13.181   8.169  11.532
  108    HE3  TRP  12           3HE      TRP  12  11.801   3.868  14.383
  109    HZ2  TRP  12           2HZ      TRP  12  15.115   7.487  13.493
  110    HZ3  TRP  12           3HZ      TRP  12  13.886   4.038  15.689
  111    HH2  TRP  12           HH       TRP  12  15.509   5.813  15.251
  112    H    ALA  13           H        ALA  13   7.458   3.963  10.060
  113    HA   ALA  13           HA       ALA  13   7.012   1.382  11.416
  114   1HB   ALA  13          1HB       ALA  13   5.883   3.249  12.512
  115   2HB   ALA  13          2HB       ALA  13   4.734   2.086  11.850
  116   3HB   ALA  13          3HB       ALA  13   5.030   3.610  11.013
  117    H    CYS  14           H        CYS  14   7.381   2.531   8.398
  118    HA   CYS  14           HA       CYS  14   5.021   1.639   7.088
  119   1HB   CYS  14          2HB       CYS  14   6.359   1.873   5.002
  120   2HB   CYS  14          1HB       CYS  14   6.411   3.303   6.028
  121    HG   CYS  14           HG       CYS  14   8.918   2.503   4.674
  122    H    ARG  15           H        ARG  15   7.950   0.066   8.065
  123    HA   ARG  15           HA       ARG  15   7.385  -2.303   6.489
  124   1HB   ARG  15          2HB       ARG  15   9.421  -3.218   7.564
  125   2HB   ARG  15          1HB       ARG  15   9.709  -1.688   6.753
  126   1HG   ARG  15          2HG       ARG  15   9.534  -0.554   8.954
  127   2HG   ARG  15          1HG       ARG  15   9.423  -2.145   9.712
  128   1HD   ARG  15          2HD       ARG  15  11.601  -2.747   8.777
  129   2HD   ARG  15          1HD       ARG  15  11.709  -1.172   7.996
  130    HE   ARG  15           HE       ARG  15  11.995  -1.741  10.858
  131   1HH1  ARG  15          1HH1      ARG  15  11.931   0.619   8.268
  132   2HH1  ARG  15          2HH1      ARG  15  12.823   1.810   9.160
  133   1HH2  ARG  15          1HH2      ARG  15  13.171  -0.145  12.040
  134   2HH2  ARG  15          2HH2      ARG  15  13.515   1.388  11.289
  135    H    ARG  16           H        ARG  16   6.156  -1.013   9.208
  136    HA   ARG  16           HA       ARG  16   5.064  -1.707  11.057
  137   1HB   ARG  16          2HB       ARG  16   3.688  -2.859   9.380
  138   2HB   ARG  16          1HB       ARG  16   4.752  -4.257   9.457
  139   1HG   ARG  16          2HG       ARG  16   2.735  -4.650  10.728
  140   2HG   ARG  16          1HG       ARG  16   4.135  -4.590  11.800
  141   1HD   ARG  16          2HD       ARG  16   3.561  -2.161  12.201
  142   2HD   ARG  16          1HD       ARG  16   2.036  -2.477  11.373
  143    HE   ARG  16           HE       ARG  16   2.308  -4.417  13.344
  144   1HH1  ARG  16          1HH1      ARG  16   1.888  -0.950  13.097
  145   2HH1  ARG  16          2HH1      ARG  16   1.167  -0.796  14.666
  146   1HH2  ARG  16          1HH2      ARG  16   1.373  -4.222  15.417
  147   2HH2  ARG  16          2HH2      ARG  16   0.844  -2.665  15.981
  148    H    GLY  17           H        GLY  17   6.154  -4.956  10.380
  149   1HA   GLY  17          2HA       GLY  17   8.463  -4.804  12.093
  150   2HA   GLY  17          1HA       GLY  17   7.122  -5.704  12.797
  151    H    MET  18           H        MET  18   7.392  -5.702   9.380
  152    HA   MET  18           HA       MET  18   8.583  -8.380   9.388
  153   1HB   MET  18          2HB       MET  18   6.067  -8.524   9.521
  154   2HB   MET  18          1HB       MET  18   5.999  -7.704   7.969
  155   1HG   MET  18          2HG       MET  18   5.723 -10.056   7.628
  156   2HG   MET  18          1HG       MET  18   7.284  -9.563   6.970
  157   1HE   MET  18          1HE       MET  18   6.803 -11.734  11.022
  158   2HE   MET  18          2HE       MET  18   5.442 -11.302   9.984
  159   3HE   MET  18          3HE       MET  18   6.387 -10.039  10.770
  160    H    LEU  19           H        LEU  19  10.159  -8.400   7.935
  161    HA   LEU  19           HA       LEU  19  10.602  -6.216   6.184
  162   1HB   LEU  19          2HB       LEU  19  11.923  -8.872   6.591
  163   2HB   LEU  19          1HB       LEU  19  12.379  -7.858   5.240
  164    HG   LEU  19           HG       LEU  19  12.939  -6.045   6.841
  165   1HD1  LEU  19          1HD1      LEU  19  11.531  -6.705   8.701
  166   2HD1  LEU  19          2HD1      LEU  19  13.218  -6.597   9.205
  167   3HD1  LEU  19          3HD1      LEU  19  12.480  -8.174   8.919
  168   1HD2  LEU  19          1HD2      LEU  19  15.023  -7.062   7.630
  169   2HD2  LEU  19          2HD2      LEU  19  14.675  -7.486   5.954
  170   3HD2  LEU  19          3HD2      LEU  19  14.384  -8.658   7.239
  171    H    GLU  20           H        GLU  20   8.969  -9.209   5.857
  172    HA   GLU  20           HA       GLU  20   9.036  -9.498   3.047
  173   1HB   GLU  20          2HB       GLU  20   6.840 -10.374   4.927
  174   2HB   GLU  20          1HB       GLU  20   7.195 -11.037   3.338
  175   1HG   GLU  20          2HG       GLU  20   9.362 -11.837   4.178
  176   2HG   GLU  20          1HG       GLU  20   8.948 -11.219   5.777
  177    H    LEU  21           H        LEU  21   7.308  -7.367   5.123
  178    HA   LEU  21           HA       LEU  21   5.256  -6.860   3.099
  179   1HB   LEU  21          2HB       LEU  21   5.431  -5.943   5.966
  180   2HB   LEU  21          1HB       LEU  21   4.094  -5.624   4.877
  181    HG   LEU  21           HG       LEU  21   4.968  -8.366   5.784
  182   1HD1  LEU  21          1HD1      LEU  21   2.608  -6.692   6.619
  183   2HD1  LEU  21          2HD1      LEU  21   4.019  -7.066   7.608
  184   3HD1  LEU  21          3HD1      LEU  21   2.922  -8.356   7.112
  185   1HD2  LEU  21          1HD2      LEU  21   2.877  -9.117   4.765
  186   2HD2  LEU  21          2HD2      LEU  21   3.949  -8.387   3.571
  187   3HD2  LEU  21          3HD2      LEU  21   2.567  -7.480   4.186
  188    H    ASP  22           H        ASP  22   8.137  -5.500   4.352
  189    HA   ASP  22           HA       ASP  22   7.688  -2.765   4.115
  190   1HB   ASP  22          2HB       ASP  22   9.738  -3.626   5.099
  191   2HB   ASP  22          1HB       ASP  22  10.222  -4.325   3.557
  192    H    VAL  23           H        VAL  23   8.623  -5.113   1.662
  193    HA   VAL  23           HA       VAL  23   9.071  -3.141  -0.359
  194    HB   VAL  23           HB       VAL  23   9.371  -5.051  -1.884
  195   1HG1  VAL  23          1HG1      VAL  23  11.248  -4.252  -0.548
  196   2HG1  VAL  23          2HG1      VAL  23  11.340  -5.999  -0.774
  197   3HG1  VAL  23          3HG1      VAL  23  10.790  -5.337   0.765
  198   1HG2  VAL  23          1HG2      VAL  23   9.265  -7.336  -1.029
  199   2HG2  VAL  23          2HG2      VAL  23   7.690  -6.550  -0.920
  200   3HG2  VAL  23          3HG2      VAL  23   8.684  -6.737   0.525
  201    H    VAL  24           H        VAL  24   6.243  -4.667   0.796
  202    HA   VAL  24           HA       VAL  24   4.896  -4.276  -1.785
  203    HB   VAL  24           HB       VAL  24   4.645  -6.487  -0.636
  204   1HG1  VAL  24          1HG1      VAL  24   3.014  -4.909   1.346
  205   2HG1  VAL  24          2HG1      VAL  24   4.540  -5.734   1.667
  206   3HG1  VAL  24          3HG1      VAL  24   3.103  -6.669   1.252
  207   1HG2  VAL  24          1HG2      VAL  24   2.241  -6.684  -1.046
  208   2HG2  VAL  24          2HG2      VAL  24   3.044  -5.759  -2.314
  209   3HG2  VAL  24          3HG2      VAL  24   2.102  -4.926  -1.077
  210    H    ILE  25           H        ILE  25   5.183  -2.939   1.365
  211    HA   ILE  25           HA       ILE  25   2.692  -1.443   1.114
  212    HB   ILE  25           HB       ILE  25   4.701  -1.529   3.371
  213   1HG1  ILE  25          2HG1      ILE  25   1.912  -2.690   3.132
  214   2HG1  ILE  25          1HG1      ILE  25   3.410  -3.613   3.054
  215   1HG2  ILE  25          1HG2      ILE  25   2.010  -0.165   3.241
  216   2HG2  ILE  25          2HG2      ILE  25   3.579   0.640   3.278
  217   3HG2  ILE  25          3HG2      ILE  25   3.033  -0.293   4.671
  218   1HD1  ILE  25          1HD1      ILE  25   2.432  -2.047   5.433
  219   2HD1  ILE  25          2HD1      ILE  25   3.905  -3.014   5.357
  220   3HD1  ILE  25          3HD1      ILE  25   2.331  -3.796   5.230
  221    H    MET  26           H        MET  26   6.138  -0.658   1.741
  222    HA   MET  26           HA       MET  26   5.623   2.120   1.686
  223   1HB   MET  26          2HB       MET  26   7.475   1.149   2.961
  224   2HB   MET  26          1HB       MET  26   8.279   0.705   1.460
  225   1HG   MET  26          2HG       MET  26   8.532   3.028   0.861
  226   2HG   MET  26          1HG       MET  26   7.613   3.524   2.280
  227   1HE   MET  26          1HE       MET  26   9.606   5.209   2.891
  228   2HE   MET  26          2HE       MET  26  10.513   4.656   1.484
  229   3HE   MET  26          3HE       MET  26  11.286   4.700   3.069
  230    HA   PRO  27           HA       PRO  27   7.912   2.178  -2.647
  231   1HB   PRO  27          2HB       PRO  27   7.106  -0.516  -3.629
  232   2HB   PRO  27          1HB       PRO  27   8.607   0.377  -3.898
  233   1HG   PRO  27          2HG       PRO  27   8.557  -1.675  -2.213
  234   2HG   PRO  27          1HG       PRO  27   9.480  -0.209  -1.821
  235   1HD   PRO  27          2HD       PRO  27   6.813  -1.103  -0.795
  236   2HD   PRO  27          1HD       PRO  27   8.158  -0.340   0.077
  237    H    PHE  28           H        PHE  28   5.014   0.128  -2.382
  238    HA   PHE  28           HA       PHE  28   3.712   1.274  -4.633
  239   1HB   PHE  28          2HB       PHE  28   2.708  -0.351  -2.299
  240   2HB   PHE  28          1HB       PHE  28   1.646   0.216  -3.581
  241    HD1  PHE  28           2HD      PHE  28   4.488  -1.988  -2.793
  242    HD2  PHE  28           1HD      PHE  28   1.616  -0.823  -5.707
  243    HE1  PHE  28           2HE      PHE  28   5.066  -3.959  -4.146
  244    HE2  PHE  28           1HE      PHE  28   2.190  -2.787  -7.067
  245    HZ   PHE  28           HZ       PHE  28   3.918  -4.360  -6.289
  246    H    PHE  29           H        PHE  29   3.700   1.955  -1.173
  247    HA   PHE  29           HA       PHE  29   1.660   3.890  -1.195
  248   1HB   PHE  29          2HB       PHE  29   2.470   2.965   0.908
  249   2HB   PHE  29          1HB       PHE  29   4.067   3.649   0.625
  250    HD1  PHE  29           2HD      PHE  29   0.505   4.698   0.927
  251    HD2  PHE  29           1HD      PHE  29   4.594   5.672   1.583
  252    HE1  PHE  29           2HE      PHE  29  -0.177   6.757   2.086
  253    HE2  PHE  29           1HE      PHE  29   3.922   7.737   2.738
  254    HZ   PHE  29           HZ       PHE  29   1.532   8.281   2.992
  255    H    GLU  30           H        GLU  30   5.166   4.186  -1.697
  256    HA   GLU  30           HA       GLU  30   5.201   6.999  -1.866
  257   1HB   GLU  30          2HB       GLU  30   7.065   5.002  -3.154
  258   2HB   GLU  30          1HB       GLU  30   7.382   6.723  -2.972
  259   1HG   GLU  30          2HG       GLU  30   6.872   6.167  -0.449
  260   2HG   GLU  30          1HG       GLU  30   7.397   4.564  -0.949
  261    H    GLU  31           H        GLU  31   4.625   4.514  -4.234
  262    HA   GLU  31           HA       GLU  31   4.544   6.160  -6.533
  263   1HB   GLU  31          2HB       GLU  31   3.389   3.465  -5.868
  264   2HB   GLU  31          1HB       GLU  31   3.022   4.247  -7.400
  265   1HG   GLU  31          2HG       GLU  31   5.840   3.803  -6.477
  266   2HG   GLU  31          1HG       GLU  31   4.934   2.580  -7.367
  267    H    CYS  32           H        CYS  32   1.940   4.943  -4.428
  268    HA   CYS  32           HA       CYS  32  -0.090   6.381  -5.854
  269   1HB   CYS  32          2HB       CYS  32  -0.285   5.113  -3.117
  270   2HB   CYS  32          1HB       CYS  32  -1.613   5.502  -4.208
  271    HG   CYS  32           HG       CYS  32   0.645   2.966  -4.437
  272    H    PHE  33           H        PHE  33   2.001   7.091  -3.230
  273    HA   PHE  33           HA       PHE  33   0.596   8.930  -1.715
  274   1HB   PHE  33          2HB       PHE  33   2.645   8.190  -0.863
  275   2HB   PHE  33          1HB       PHE  33   3.511   8.565  -2.340
  276    HD1  PHE  33           2HD      PHE  33   2.105   9.920   0.759
  277    HD2  PHE  33           1HD      PHE  33   4.368  10.780  -2.740
  278    HE1  PHE  33           2HE      PHE  33   2.848  12.039   1.763
  279    HE2  PHE  33           1HE      PHE  33   5.116  12.899  -1.741
  280    HZ   PHE  33           HZ       PHE  33   4.358  13.531   0.513
  281    H    ASP  34           H        ASP  34   2.280   9.406  -4.761
  282    HA   ASP  34           HA       ASP  34   2.225  12.234  -4.735
  283   1HB   ASP  34          2HB       ASP  34   3.700  10.853  -6.192
  284   2HB   ASP  34          1HB       ASP  34   2.285  10.392  -7.133
  285    H    SER  35           H        SER  35  -0.166   9.865  -5.373
  286    HA   SER  35           HA       SER  35  -1.926  11.791  -6.708
  287   1HB   SER  35          2HB       SER  35  -1.630   9.597  -7.794
  288   2HB   SER  35          1HB       SER  35  -2.206   8.796  -6.335
  289    HG   SER  35           HG       SER  35  -3.787  10.725  -7.667
  290    H    LEU  36           H        LEU  36  -1.600   9.844  -3.805
  291    HA   LEU  36           HA       LEU  36  -4.261  10.063  -2.876
  292   1HB   LEU  36          2HB       LEU  36  -1.704   9.589  -1.344
  293   2HB   LEU  36          1HB       LEU  36  -3.314   9.405  -0.677
  294    HG   LEU  36           HG       LEU  36  -2.157   7.773  -2.939
  295   1HD1  LEU  36          1HD1      LEU  36  -1.125   7.245  -0.804
  296   2HD1  LEU  36          2HD1      LEU  36  -2.190   5.936  -1.319
  297   3HD1  LEU  36          3HD1      LEU  36  -2.715   7.059  -0.064
  298   1HD2  LEU  36          1HD2      LEU  36  -4.173   6.410  -2.701
  299   2HD2  LEU  36          2HD2      LEU  36  -4.569   8.068  -3.156
  300   3HD2  LEU  36          3HD2      LEU  36  -4.792   7.533  -1.490
  301    H    THR  37           H        THR  37  -5.127  11.292  -1.186
  302    HA   THR  37           HA       THR  37  -3.856  13.907  -0.795
  303    HB   THR  37           HB       THR  37  -6.164  14.583   0.008
  304    HG1  THR  37           1HG      THR  37  -7.238  12.396  -1.382
  305   1HG2  THR  37          1HG2      THR  37  -5.363  15.146  -2.231
  306   2HG2  THR  37          2HG2      THR  37  -7.088  14.776  -2.258
  307   3HG2  THR  37          3HG2      THR  37  -5.921  13.585  -2.833
  308    H    GLU  38           H        GLU  38  -4.553  14.875   1.461
  309    HA   GLU  38           HA       GLU  38  -3.219  13.380   3.424
  310   1HB   GLU  38          2HB       GLU  38  -5.071  15.750   3.700
  311   2HB   GLU  38          1HB       GLU  38  -4.100  15.105   5.012
  312   1HG   GLU  38          2HG       GLU  38  -2.093  15.525   3.594
  313   2HG   GLU  38          1HG       GLU  38  -3.142  16.365   2.460
  314    H    SER  39           H        SER  39  -6.666  13.781   2.761
  315    HA   SER  39           HA       SER  39  -7.708  12.453   4.968
  316   1HB   SER  39          2HB       SER  39  -8.758  12.362   2.131
  317   2HB   SER  39          1HB       SER  39  -9.679  12.077   3.603
  318    HG   SER  39           HG       SER  39  -9.137  14.264   4.211
  319    H    GLU  40           H        GLU  40  -6.496  11.163   1.909
  320    HA   GLU  40           HA       GLU  40  -7.057   8.431   2.479
  321   1HB   GLU  40          2HB       GLU  40  -4.948   9.596   0.642
  322   2HB   GLU  40          1HB       GLU  40  -5.555   7.948   0.606
  323   1HG   GLU  40          2HG       GLU  40  -7.354  10.299   0.162
  324   2HG   GLU  40          1HG       GLU  40  -6.411   9.586  -1.146
  325    H    GLN  41           H        GLN  41  -4.207  10.460   2.699
  326    HA   GLN  41           HA       GLN  41  -2.348   8.564   3.523
  327   1HB   GLN  41          2HB       GLN  41  -2.560  11.535   3.944
  328   2HB   GLN  41          1HB       GLN  41  -1.163  10.617   4.475
  329   1HG   GLN  41          2HG       GLN  41  -0.657   9.960   2.231
  330   2HG   GLN  41          1HG       GLN  41  -2.163  10.664   1.640
  331   1HE2  GLN  41          1HE2      GLN  41   1.031  11.312   2.835
  332   2HE2  GLN  41          2HE2      GLN  41   1.100  12.962   2.332
  333    H    ASP  42           H        ASP  42  -4.537  10.570   5.455
  334    HA   ASP  42           HA       ASP  42  -3.323   9.957   7.952
  335   1HB   ASP  42          2HB       ASP  42  -4.722  11.952   7.612
  336   2HB   ASP  42          1HB       ASP  42  -6.131  10.925   7.381
  337    H    ASP  43           H        ASP  43  -6.060   8.613   6.205
  338    HA   ASP  43           HA       ASP  43  -6.893   6.811   8.226
  339   1HB   ASP  43          2HB       ASP  43  -8.015   7.600   5.938
  340   2HB   ASP  43          1HB       ASP  43  -7.258   6.130   5.337
  341    H    PHE  44           H        PHE  44  -4.682   6.547   5.488
  342    HA   PHE  44           HA       PHE  44  -4.131   3.784   5.784
  343   1HB   PHE  44          2HB       PHE  44  -3.748   5.071   3.696
  344   2HB   PHE  44          1HB       PHE  44  -2.409   5.901   4.481
  345    HD1  PHE  44           2HD      PHE  44  -3.607   2.615   3.300
  346    HD2  PHE  44           1HD      PHE  44  -0.267   4.896   4.631
  347    HE1  PHE  44           2HE      PHE  44  -2.095   0.810   2.586
  348    HE2  PHE  44           1HE      PHE  44   1.248   3.094   3.916
  349    HZ   PHE  44           HZ       PHE  44   0.334   1.051   2.894
  350    H    VAL  45           H        VAL  45  -2.444   6.701   6.948
  351    HA   VAL  45           HA       VAL  45  -0.267   5.366   8.136
  352    HB   VAL  45           HB       VAL  45  -1.556   8.000   8.873
  353   1HG1  VAL  45          1HG1      VAL  45  -0.359   7.118  10.807
  354   2HG1  VAL  45          2HG1      VAL  45   0.515   8.485  10.115
  355   3HG1  VAL  45          3HG1      VAL  45   1.069   6.838   9.813
  356   1HG2  VAL  45          1HG2      VAL  45   0.366   8.965   7.704
  357   2HG2  VAL  45          2HG2      VAL  45  -0.578   7.924   6.638
  358   3HG2  VAL  45          3HG2      VAL  45   0.944   7.345   7.316
  359    H    ALA  46           H        ALA  46  -3.465   6.223   9.371
  360    HA   ALA  46           HA       ALA  46  -3.184   5.351  12.006
  361   1HB   ALA  46          1HB       ALA  46  -5.138   6.596  11.163
  362   2HB   ALA  46          2HB       ALA  46  -5.600   5.150  12.061
  363   3HB   ALA  46          3HB       ALA  46  -5.666   5.152  10.298
  364    H    LEU  47           H        LEU  47  -3.830   3.556   9.058
  365    HA   LEU  47           HA       LEU  47  -4.386   1.056  10.256
  366   1HB   LEU  47          2HB       LEU  47  -4.826   1.810   7.853
  367   2HB   LEU  47          1HB       LEU  47  -3.138   1.474   7.543
  368    HG   LEU  47           HG       LEU  47  -5.057  -0.630   8.549
  369   1HD1  LEU  47          1HD1      LEU  47  -5.877   0.214   6.419
  370   2HD1  LEU  47          2HD1      LEU  47  -5.192  -1.399   6.222
  371   3HD1  LEU  47          3HD1      LEU  47  -4.274   0.016   5.709
  372   1HD2  LEU  47          1HD2      LEU  47  -3.394  -2.184   7.677
  373   2HD2  LEU  47          2HD2      LEU  47  -2.670  -1.113   8.877
  374   3HD2  LEU  47          3HD2      LEU  47  -2.385  -0.835   7.159
  375    H    LEU  48           H        LEU  48  -1.389   2.527   9.041
  376    HA   LEU  48           HA       LEU  48   0.258   0.270   9.388
  377   1HB   LEU  48          2HB       LEU  48   0.961   3.201   9.375
  378   2HB   LEU  48          1HB       LEU  48   2.137   1.904   9.312
  379    HG   LEU  48           HG       LEU  48   0.035   2.479   7.218
  380   1HD1  LEU  48          1HD1      LEU  48   3.027   2.859   7.196
  381   2HD1  LEU  48          2HD1      LEU  48   1.816   4.140   7.250
  382   3HD1  LEU  48          3HD1      LEU  48   1.947   3.109   5.825
  383   1HD2  LEU  48          1HD2      LEU  48   2.245   0.427   7.282
  384   2HD2  LEU  48          2HD2      LEU  48   1.195   0.765   5.905
  385   3HD2  LEU  48          3HD2      LEU  48   0.516   0.096   7.390
  386    H    GLU  49           H        GLU  49  -0.794   2.729  11.620
  387    HA   GLU  49           HA       GLU  49   1.100   2.096  13.668
  388   1HB   GLU  49          2HB       GLU  49  -1.595   3.441  13.903
  389   2HB   GLU  49          1HB       GLU  49  -0.320   3.457  15.113
  390   1HG   GLU  49          2HG       GLU  49   1.124   4.692  13.593
  391   2HG   GLU  49          1HG       GLU  49  -0.141   4.662  12.363
  392    H    SER  50           H        SER  50  -1.811   0.728  12.542
  393    HA   SER  50           HA       SER  50  -2.189  -0.863  14.974
  394   1HB   SER  50          2HB       SER  50  -3.945  -0.807  12.510
  395   2HB   SER  50          1HB       SER  50  -4.370  -1.367  14.128
  396    HG   SER  50           HG       SER  50  -4.043   1.267  13.176
  397    H    ASP  51           H        ASP  51  -2.854  -3.241  14.390
  398    HA   ASP  51           HA       ASP  51  -0.723  -4.413  12.907
  399   1HB   ASP  51          2HB       ASP  51  -3.194  -5.556  14.203
  400   2HB   ASP  51          1HB       ASP  51  -2.076  -6.556  13.277
  401    H    ASP  52           H        ASP  52  -1.083  -5.931  11.076
  402    HA   ASP  52           HA       ASP  52  -2.986  -4.663   9.215
  403   1HB   ASP  52          2HB       ASP  52  -1.251  -5.078   7.466
  404   2HB   ASP  52          1HB       ASP  52  -0.726  -3.974   8.735
  405    HA   PRO  53           HA       PRO  53  -3.517  -9.340   8.834
  406   1HB   PRO  53          2HB       PRO  53  -6.094  -9.206  10.161
  407   2HB   PRO  53          1HB       PRO  53  -4.684 -10.174  10.594
  408   1HG   PRO  53          2HG       PRO  53  -5.595  -8.096  12.104
  409   2HG   PRO  53          1HG       PRO  53  -3.898  -8.612  12.069
  410   1HD   PRO  53          2HD       PRO  53  -5.216  -6.334  10.629
  411   2HD   PRO  53          1HD       PRO  53  -3.639  -6.387  11.449
  412    H    ASP  54           H        ASP  54  -5.845  -6.696   8.834
  413    HA   ASP  54           HA       ASP  54  -7.543  -7.688   6.805
  414   1HB   ASP  54          2HB       ASP  54  -6.974  -4.819   7.595
  415   2HB   ASP  54          1HB       ASP  54  -8.322  -5.352   6.597
  416    H    LEU  55           H        LEU  55  -4.713  -5.572   6.757
  417    HA   LEU  55           HA       LEU  55  -4.778  -4.873   4.050
  418   1HB   LEU  55          2HB       LEU  55  -3.359  -3.854   5.875
  419   2HB   LEU  55          1HB       LEU  55  -2.300  -5.241   5.739
  420    HG   LEU  55           HG       LEU  55  -2.855  -3.503   3.349
  421   1HD1  LEU  55          1HD1      LEU  55  -0.873  -2.192   3.915
  422   2HD1  LEU  55          2HD1      LEU  55  -0.735  -3.050   5.449
  423   3HD1  LEU  55          3HD1      LEU  55  -2.128  -2.012   5.141
  424   1HD2  LEU  55          1HD2      LEU  55  -1.731  -5.646   2.975
  425   2HD2  LEU  55          2HD2      LEU  55  -0.497  -5.210   4.157
  426   3HD2  LEU  55          3HD2      LEU  55  -0.646  -4.292   2.658
  427    H    PHE  56           H        PHE  56  -3.028  -7.494   5.692
  428    HA   PHE  56           HA       PHE  56  -1.901  -8.632   3.388
  429   1HB   PHE  56          2HB       PHE  56  -1.260  -9.106   5.792
  430   2HB   PHE  56          1HB       PHE  56  -2.699 -10.112   5.897
  431    HD1  PHE  56           2HD      PHE  56   0.539  -9.735   4.155
  432    HD2  PHE  56           1HD      PHE  56  -2.711 -12.319   5.083
  433    HE1  PHE  56           2HE      PHE  56   1.800 -11.641   3.246
  434    HE2  PHE  56           1HE      PHE  56  -1.452 -14.233   4.176
  435    HZ   PHE  56           HZ       PHE  56   0.808 -13.892   3.257
  436    H    ALA  57           H        ALA  57  -4.962  -9.183   5.031
  437    HA   ALA  57           HA       ALA  57  -5.732 -11.485   3.590
  438   1HB   ALA  57          1HB       ALA  57  -7.503  -9.499   5.000
  439   2HB   ALA  57          2HB       ALA  57  -6.677 -10.853   5.770
  440   3HB   ALA  57          3HB       ALA  57  -7.921 -11.156   4.557
  441    H    TRP  58           H        TRP  58  -6.315  -8.029   3.034
  442    HA   TRP  58           HA       TRP  58  -8.174  -8.472   0.938
  443   1HB   TRP  58          2HB       TRP  58  -6.697  -6.081   1.922
  444   2HB   TRP  58          1HB       TRP  58  -7.486  -6.010   0.346
  445    HD1  TRP  58           HD       TRP  58  -8.380  -6.829   4.000
  446    HE1  TRP  58           1HE      TRP  58 -10.825  -6.148   4.410
  447    HE3  TRP  58           3HE      TRP  58  -9.615  -5.393  -0.734
  448    HZ2  TRP  58           2HZ      TRP  58 -13.000  -5.152   2.911
  449    HZ3  TRP  58           3HZ      TRP  58 -11.903  -4.597  -1.166
  450    HH2  TRP  58           HH       TRP  58 -13.558  -4.481   0.617
  451    H    VAL  59           H        VAL  59  -4.687  -8.032   1.022
  452    HA   VAL  59           HA       VAL  59  -4.307  -7.762  -1.761
  453    HB   VAL  59           HB       VAL  59  -2.409  -8.861   0.323
  454   1HG1  VAL  59          1HG1      VAL  59  -1.858  -7.906  -2.488
  455   2HG1  VAL  59          2HG1      VAL  59  -1.746  -9.568  -1.911
  456   3HG1  VAL  59          3HG1      VAL  59  -0.635  -8.346  -1.294
  457   1HG2  VAL  59          1HG2      VAL  59  -2.653  -6.102  -0.871
  458   2HG2  VAL  59          2HG2      VAL  59  -1.428  -6.625   0.286
  459   3HG2  VAL  59          3HG2      VAL  59  -3.125  -6.570   0.762
  460    H    MET  60           H        MET  60  -4.321 -10.613   0.374
  461    HA   MET  60           HA       MET  60  -3.855 -12.428  -1.780
  462   1HB   MET  60          2HB       MET  60  -3.194 -12.760   0.648
  463   2HB   MET  60          1HB       MET  60  -4.891 -13.087   0.976
  464   1HG   MET  60          2HG       MET  60  -4.844 -14.930  -0.580
  465   2HG   MET  60          1HG       MET  60  -3.153 -14.605  -0.934
  466   1HE   MET  60          1HE       MET  60  -2.348 -17.028  -0.375
  467   2HE   MET  60          2HE       MET  60  -4.036 -17.482  -0.141
  468   3HE   MET  60          3HE       MET  60  -2.834 -17.919   1.071
  469    H    GLY  61           H        GLY  61  -6.571 -10.814  -0.523
  470   1HA   GLY  61          2HA       GLY  61  -8.702 -10.727  -1.432
  471   2HA   GLY  61          1HA       GLY  61  -8.265 -12.051  -2.502
  472    H    HIS  62           H        HIS  62  -8.092 -12.032   1.027
  473    HA   HIS  62           HA       HIS  62 -10.270 -14.026   1.081
  474   1HB   HIS  62          2HB       HIS  62  -7.637 -14.090   2.552
  475   2HB   HIS  62          1HB       HIS  62  -9.022 -15.046   3.054
  476    HD1  HIS  62           1HD      HIS  62  -6.297 -16.253   2.118
  477    HD2  HIS  62           2HD      HIS  62  -9.690 -15.834  -0.258
  478    HE1  HIS  62           1HE      HIS  62  -6.076 -17.978   0.298
  479    HE2  HIS  62           2HE      HIS  62  -8.050 -17.593  -1.220
  480    H    GLY  63           H        GLY  63  -9.612 -10.983   1.942
  481   1HA   GLY  63          2HA       GLY  63 -10.849 -11.284   4.603
  482   2HA   GLY  63          1HA       GLY  63  -9.495 -10.200   4.337
  483    H    ARG  64           H        ARG  64 -11.979  -9.518   5.435
  484    HA   ARG  64           HA       ARG  64 -12.742  -7.408   3.530
  485   1HB   ARG  64          2HB       ARG  64 -14.612  -8.954   5.343
  486   2HB   ARG  64          1HB       ARG  64 -15.049  -7.456   4.541
  487   1HG   ARG  64          2HG       ARG  64 -15.960  -9.096   3.182
  488   2HG   ARG  64          1HG       ARG  64 -14.458  -8.669   2.366
  489   1HD   ARG  64          2HD       ARG  64 -13.382 -10.617   3.525
  490   2HD   ARG  64          1HD       ARG  64 -14.989 -11.086   4.085
  491    HE   ARG  64           HE       ARG  64 -15.104 -10.760   1.314
  492   1HH1  ARG  64          1HH1      ARG  64 -13.557 -12.852   3.652
  493   2HH1  ARG  64          2HH1      ARG  64 -13.515 -14.229   2.588
  494   1HH2  ARG  64          1HH2      ARG  64 -15.017 -12.546  -0.107
  495   2HH2  ARG  64          2HH2      ARG  64 -14.328 -14.051   0.437
  496    H    CYS  65           H        CYS  65 -13.051  -5.378   4.496
  497    HA   CYS  65           HA       CYS  65 -12.079  -5.251   7.269
  498   1HB   CYS  65          2HB       CYS  65 -11.223  -2.993   6.705
  499   2HB   CYS  65          1HB       CYS  65 -10.481  -4.260   5.735
  500    HG   CYS  65           HG       CYS  65 -11.920  -1.535   4.735
  501    H    GLU  66           H        GLU  66 -12.898  -3.510   8.593
  502    HA   GLU  66           HA       GLU  66 -15.738  -3.281   8.363
  503   1HB   GLU  66          2HB       GLU  66 -13.977  -1.736  10.264
  504   2HB   GLU  66          1HB       GLU  66 -15.659  -2.192  10.481
  505   1HG   GLU  66          2HG       GLU  66 -13.272  -4.021  10.501
  506   2HG   GLU  66          1HG       GLU  66 -14.260  -3.546  11.877
  507    H    ASN  67           H        ASN  67 -12.987  -1.137   7.878
  508    HA   ASN  67           HA       ASN  67 -14.792   0.972   6.906
  509   1HB   ASN  67          2HB       ASN  67 -13.227   1.746   8.589
  510   2HB   ASN  67          1HB       ASN  67 -11.872   1.058   7.701
  511   1HD2  ASN  67          1HD2      ASN  67 -10.817   3.013   7.526
  512   2HD2  ASN  67          2HD2      ASN  67 -11.362   4.284   6.488
  513    H    LEU  68           H        LEU  68 -15.193   0.798   4.798
  514    HA   LEU  68           HA       LEU  68 -13.386  -0.491   2.988
  515   1HB   LEU  68          2HB       LEU  68 -15.937   1.041   2.545
  516   2HB   LEU  68          1HB       LEU  68 -15.001   0.348   1.239
  517    HG   LEU  68           HG       LEU  68 -16.417  -1.124   3.452
  518   1HD1  LEU  68          1HD1      LEU  68 -16.725  -1.236   0.458
  519   2HD1  LEU  68          2HD1      LEU  68 -17.795  -0.370   1.562
  520   3HD1  LEU  68          3HD1      LEU  68 -17.675  -2.129   1.647
  521   1HD2  LEU  68          1HD2      LEU  68 -14.256  -2.185   3.065
  522   2HD2  LEU  68          2HD2      LEU  68 -14.586  -2.243   1.332
  523   3HD2  LEU  68          3HD2      LEU  68 -15.571  -3.186   2.450
  524    H    GLY  69           H        GLY  69 -13.630   2.639   4.222
  525   1HA   GLY  69          2HA       GLY  69 -12.463   4.158   2.183
  526   2HA   GLY  69          1HA       GLY  69 -12.246   4.444   3.906
  527    H    LEU  70           H        LEU  70 -11.013   2.016   4.587
  528    HA   LEU  70           HA       LEU  70  -8.320   2.483   3.839
  529   1HB   LEU  70          2HB       LEU  70  -9.684   0.215   5.271
  530   2HB   LEU  70          1HB       LEU  70  -7.959   0.226   4.967
  531    HG   LEU  70           HG       LEU  70  -9.440   2.314   6.568
  532   1HD1  LEU  70          1HD1      LEU  70  -9.429   0.176   7.720
  533   2HD1  LEU  70          2HD1      LEU  70  -8.315   1.300   8.501
  534   3HD1  LEU  70          3HD1      LEU  70  -7.692   0.023   7.457
  535   1HD2  LEU  70          1HD2      LEU  70  -7.441   3.164   5.446
  536   2HD2  LEU  70          2HD2      LEU  70  -6.491   1.850   6.138
  537   3HD2  LEU  70          3HD2      LEU  70  -7.206   3.071   7.191
  538    H    ALA  71           H        ALA  71 -10.813   0.321   2.697
  539    HA   ALA  71           HA       ALA  71  -9.138  -1.322   1.102
  540   1HB   ALA  71          1HB       ALA  71 -11.217  -2.046   0.024
  541   2HB   ALA  71          2HB       ALA  71 -12.090  -0.748   0.838
  542   3HB   ALA  71          3HB       ALA  71 -11.360  -2.049   1.781
  543    H    ALA  72           H        ALA  72 -10.472   1.829   0.712
  544    HA   ALA  72           HA       ALA  72 -10.628   1.990  -2.081
  545   1HB   ALA  72          1HB       ALA  72 -10.577   4.412  -1.781
  546   2HB   ALA  72          2HB       ALA  72 -10.065   4.194  -0.106
  547   3HB   ALA  72          3HB       ALA  72 -11.656   3.634  -0.625
  548    H    MET  73           H        MET  73  -7.942   3.057   0.066
  549    HA   MET  73           HA       MET  73  -6.314   3.690  -2.202
  550   1HB   MET  73          2HB       MET  73  -4.487   4.079  -0.614
  551   2HB   MET  73          1HB       MET  73  -5.956   4.917  -0.145
  552   1HG   MET  73          2HG       MET  73  -5.241   2.262   1.032
  553   2HG   MET  73          1HG       MET  73  -4.567   3.762   1.664
  554   1HE   MET  73          1HE       MET  73  -6.040   5.723   2.705
  555   2HE   MET  73          2HE       MET  73  -7.801   5.670   2.803
  556   3HE   MET  73          3HE       MET  73  -7.007   5.784   1.232
  557    H    VAL  74           H        VAL  74  -6.749   0.851  -0.213
  558    HA   VAL  74           HA       VAL  74  -4.443  -0.542  -1.074
  559    HB   VAL  74           HB       VAL  74  -7.116  -1.618  -0.145
  560   1HG1  VAL  74          1HG1      VAL  74  -4.505  -3.076  -0.543
  561   2HG1  VAL  74          2HG1      VAL  74  -5.984  -3.306  -1.476
  562   3HG1  VAL  74          3HG1      VAL  74  -5.942  -3.743   0.232
  563   1HG2  VAL  74          1HG2      VAL  74  -5.917  -0.301   1.524
  564   2HG2  VAL  74          2HG2      VAL  74  -4.489  -1.311   1.299
  565   3HG2  VAL  74          3HG2      VAL  74  -5.966  -2.009   1.966
  566    H    ASP  75           H        ASP  75  -7.736  -0.323  -2.367
  567    HA   ASP  75           HA       ASP  75  -7.397  -2.124  -4.511
  568   1HB   ASP  75          2HB       ASP  75  -9.593  -1.256  -3.676
  569   2HB   ASP  75          1HB       ASP  75  -9.218   0.291  -4.424
  570    H    LYS  76           H        LYS  76  -6.704   1.294  -4.134
  571    HA   LYS  76           HA       LYS  76  -5.987   1.842  -6.812
  572   1HB   LYS  76          2HB       LYS  76  -5.049   3.124  -4.235
  573   2HB   LYS  76          1HB       LYS  76  -4.725   3.763  -5.841
  574   1HG   LYS  76          2HG       LYS  76  -7.072   4.102  -6.233
  575   2HG   LYS  76          1HG       LYS  76  -7.473   3.337  -4.695
  576   1HD   LYS  76          2HD       LYS  76  -6.275   5.131  -3.512
  577   2HD   LYS  76          1HD       LYS  76  -5.915   5.897  -5.062
  578   1HE   LYS  76          2HE       LYS  76  -8.284   6.196  -5.491
  579   2HE   LYS  76          1HE       LYS  76  -8.683   5.360  -3.993
  580   1HZ   LYS  76          1HZ       LYS  76  -7.202   7.933  -4.196
  581   2HZ   LYS  76          2HZ       LYS  76  -7.602   7.130  -2.750
  582   3HZ   LYS  76          3HZ       LYS  76  -8.826   7.753  -3.740
  583    H    ILE  77           H        ILE  77  -4.187   0.555  -4.067
  584    HA   ILE  77           HA       ILE  77  -1.658   0.413  -5.333
  585    HB   ILE  77           HB       ILE  77  -2.824  -1.295  -3.116
  586   1HG1  ILE  77          2HG1      ILE  77  -0.933   1.076  -3.026
  587   2HG1  ILE  77          1HG1      ILE  77  -2.640   1.114  -2.599
  588   1HG2  ILE  77          1HG2      ILE  77  -0.504  -1.924  -2.609
  589   2HG2  ILE  77          2HG2      ILE  77   0.033  -1.049  -4.046
  590   3HG2  ILE  77          3HG2      ILE  77  -0.999  -2.467  -4.213
  591   1HD1  ILE  77          1HD1      ILE  77  -2.234  -0.392  -0.746
  592   2HD1  ILE  77          2HD1      ILE  77  -1.189   1.024  -0.633
  593   3HD1  ILE  77          3HD1      ILE  77  -0.534  -0.512  -1.199
  594    H    VAL  78           H        VAL  78  -4.400  -1.808  -5.130
  595    HA   VAL  78           HA       VAL  78  -3.301  -3.948  -6.581
  596    HB   VAL  78           HB       VAL  78  -6.197  -3.060  -6.480
  597   1HG1  VAL  78          1HG1      VAL  78  -4.989  -5.722  -7.233
  598   2HG1  VAL  78          2HG1      VAL  78  -5.802  -4.598  -8.323
  599   3HG1  VAL  78          3HG1      VAL  78  -6.713  -5.397  -7.041
  600   1HG2  VAL  78          1HG2      VAL  78  -4.672  -5.020  -4.766
  601   2HG2  VAL  78          2HG2      VAL  78  -6.416  -4.764  -4.707
  602   3HG2  VAL  78          3HG2      VAL  78  -5.316  -3.461  -4.255
  603    H    ALA  79           H        ALA  79  -4.858  -0.960  -7.630
  604    HA   ALA  79           HA       ALA  79  -5.074  -1.551 -10.367
  605   1HB   ALA  79          1HB       ALA  79  -6.176   0.365  -9.348
  606   2HB   ALA  79          2HB       ALA  79  -5.167   0.872 -10.702
  607   3HB   ALA  79          3HB       ALA  79  -4.610   1.121  -9.047
  608    H    HIS  80           H        HIS  80  -2.387  -0.316  -8.453
  609    HA   HIS  80           HA       HIS  80  -0.635   0.128 -10.664
  610   1HB   HIS  80          2HB       HIS  80  -0.446   1.066  -8.269
  611   2HB   HIS  80          1HB       HIS  80   0.265  -0.487  -7.851
  612    HD1  HIS  80           1HD      HIS  80   2.575  -1.072  -9.136
  613    HD2  HIS  80           2HD      HIS  80   1.263   2.870  -9.386
  614    HE1  HIS  80           1HE      HIS  80   4.576   0.265  -9.855
  615    HE2  HIS  80           2HE      HIS  80   3.814   2.669  -9.802
  616    H    ASN  81           H        ASN  81  -1.197  -2.531  -8.420
  617    HA   ASN  81           HA       ASN  81   0.810  -4.289  -9.325
  618   1HB   ASN  81          2HB       ASN  81  -0.588  -4.495  -7.216
  619   2HB   ASN  81          1HB       ASN  81  -1.903  -5.076  -8.228
  620   1HD2  ASN  81          1HD2      ASN  81  -0.581  -6.434  -6.063
  621   2HD2  ASN  81          2HD2      ASN  81   0.102  -7.886  -6.717
  622    H    LEU  82           H        LEU  82  -2.492  -3.709 -10.379
  623    HA   LEU  82           HA       LEU  82  -2.867  -5.786 -12.172
  624   1HB   LEU  82          2HB       LEU  82  -4.528  -4.044 -11.469
  625   2HB   LEU  82          1HB       LEU  82  -3.752  -2.931 -12.572
  626    HG   LEU  82           HG       LEU  82  -4.297  -4.497 -14.443
  627   1HD1  LEU  82          1HD1      LEU  82  -6.013  -6.196 -14.050
  628   2HD1  LEU  82          2HD1      LEU  82  -5.941  -5.865 -12.319
  629   3HD1  LEU  82          3HD1      LEU  82  -4.537  -6.539 -13.146
  630   1HD2  LEU  82          1HD2      LEU  82  -5.657  -2.532 -14.016
  631   2HD2  LEU  82          2HD2      LEU  82  -6.612  -3.429 -12.835
  632   3HD2  LEU  82          3HD2      LEU  82  -6.669  -3.879 -14.539
  633    H    SER  83           H        SER  83  -1.109  -2.783 -12.553
  634    HA   SER  83           HA       SER  83  -0.751  -3.017 -15.365
  635   1HB   SER  83          2HB       SER  83  -0.641  -0.858 -14.150
  636   2HB   SER  83          1HB       SER  83   0.853  -1.388 -13.379
  637    HG   SER  83           HG       SER  83   1.909  -0.903 -15.121
  638    H    LYS  84           H        LYS  84   1.312  -3.897 -12.563
  639    HA   LYS  84           HA       LYS  84   3.427  -4.800 -14.248
  640   1HB   LYS  84          2HB       LYS  84   4.342  -5.939 -12.271
  641   2HB   LYS  84          1HB       LYS  84   3.941  -4.262 -11.943
  642   1HG   LYS  84          2HG       LYS  84   2.282  -4.796 -10.491
  643   2HG   LYS  84          1HG       LYS  84   1.907  -6.319 -11.301
  644   1HD   LYS  84          2HD       LYS  84   4.452  -5.854  -9.757
  645   2HD   LYS  84          1HD       LYS  84   2.990  -6.523  -9.028
  646   1HE   LYS  84          2HE       LYS  84   3.031  -8.376 -10.606
  647   2HE   LYS  84          1HE       LYS  84   4.449  -7.692 -11.396
  648   1HZ   LYS  84          1HZ       LYS  84   4.437  -8.464  -8.532
  649   2HZ   LYS  84          2HZ       LYS  84   5.776  -8.131  -9.521
  650   3HZ   LYS  84          3HZ       LYS  84   4.865  -9.540  -9.768
  651    H    VAL  85           H        VAL  85   0.474  -6.210 -13.078
  652    HA   VAL  85           HA       VAL  85   1.050  -8.904 -13.722
  653    HB   VAL  85           HB       VAL  85  -1.615  -7.472 -13.648
  654   1HG1  VAL  85          1HG1      VAL  85  -2.621  -9.717 -13.546
  655   2HG1  VAL  85          2HG1      VAL  85  -1.032 -10.431 -13.823
  656   3HG1  VAL  85          3HG1      VAL  85  -1.785  -9.439 -15.073
  657   1HG2  VAL  85          1HG2      VAL  85  -1.882  -8.637 -11.499
  658   2HG2  VAL  85          2HG2      VAL  85  -0.503  -7.536 -11.495
  659   3HG2  VAL  85          3HG2      VAL  85  -0.246  -9.274 -11.657
  660    H    ARG  86           H        ARG  86  -0.692  -6.389 -15.555
  661    HA   ARG  86           HA       ARG  86  -1.047  -7.914 -17.888
  662   1HB   ARG  86          2HB       ARG  86  -1.625  -5.836 -18.974
  663   2HB   ARG  86          1HB       ARG  86  -2.273  -5.830 -17.345
  664   1HG   ARG  86          2HG       ARG  86  -0.430  -4.418 -16.607
  665   2HG   ARG  86          1HG       ARG  86   0.210  -4.408 -18.251
  666   1HD   ARG  86          2HD       ARG  86  -1.707  -3.253 -19.067
  667   2HD   ARG  86          1HD       ARG  86  -2.554  -3.459 -17.536
  668    HE   ARG  86           HE       ARG  86  -0.152  -2.042 -17.115
  669   1HH1  ARG  86          1HH1      ARG  86  -3.295  -1.626 -18.590
  670   2HH1  ARG  86          2HH1      ARG  86  -3.401   0.066 -18.204
  671   1HH2  ARG  86          1HH2      ARG  86  -0.269   0.177 -16.615
  672   2HH2  ARG  86          2HH2      ARG  86  -1.664   1.094 -17.098
  673    H    LEU  87           H        LEU  87   1.677  -6.267 -16.637
  674    HA   LEU  87           HA       LEU  87   3.120  -6.152 -19.128
  675   1HB   LEU  87          2HB       LEU  87   3.523  -4.417 -17.529
  676   2HB   LEU  87          1HB       LEU  87   3.888  -5.583 -16.273
  677    HG   LEU  87           HG       LEU  87   5.902  -6.264 -17.563
  678   1HD1  LEU  87          1HD1      LEU  87   6.707  -4.776 -19.338
  679   2HD1  LEU  87          2HD1      LEU  87   5.187  -3.882 -19.266
  680   3HD1  LEU  87          3HD1      LEU  87   5.194  -5.569 -19.777
  681   1HD2  LEU  87          1HD2      LEU  87   6.078  -4.712 -15.710
  682   2HD2  LEU  87          2HD2      LEU  87   5.716  -3.360 -16.783
  683   3HD2  LEU  87          3HD2      LEU  87   7.212  -4.272 -16.987
  684    H    GLU  88           H        GLU  88   3.540  -7.935 -16.044
  685    HA   GLU  88           HA       GLU  88   5.688  -9.476 -17.177
  686   1HB   GLU  88          2HB       GLU  88   4.308  -9.636 -14.499
  687   2HB   GLU  88          1HB       GLU  88   5.670 -10.646 -14.961
  688   1HG   GLU  88          2HG       GLU  88   6.948  -8.510 -15.381
  689   2HG   GLU  88          1HG       GLU  88   5.619  -7.669 -14.585
  690    H    HIS  89           H        HIS  89   2.263  -9.919 -16.809
  691    HA   HIS  89           HA       HIS  89   2.443 -12.776 -17.287
  692   1HB   HIS  89          2HB       HIS  89   0.606 -11.691 -15.909
  693   2HB   HIS  89          1HB       HIS  89  -0.047 -11.066 -17.419
  694    HD1  HIS  89           1HD      HIS  89  -1.891 -12.450 -18.279
  695    HD2  HIS  89           2HD      HIS  89   0.896 -14.719 -16.178
  696    HE1  HIS  89           1HE      HIS  89  -2.779 -14.805 -18.290
  697    HE2  HIS  89           2HE      HIS  89  -1.201 -16.094 -16.802
  698    H    HIS  90           H        HIS  90   3.792 -12.324 -19.192
  699    HA   HIS  90           HA       HIS  90   2.555 -11.163 -21.509
  700   1HB   HIS  90          2HB       HIS  90   4.670 -11.811 -22.669
  701   2HB   HIS  90          1HB       HIS  90   4.922 -10.813 -21.245
  702    HD1  HIS  90           1HD      HIS  90   6.213 -13.729 -22.848
  703    HD2  HIS  90           2HD      HIS  90   5.630 -12.580 -18.894
  704    HE1  HIS  90           1HE      HIS  90   7.715 -15.211 -21.481
  705    HE2  HIS  90           2HE      HIS  90   7.196 -14.628 -19.083
  706    H    HIS  91           H        HIS  91   0.925 -12.256 -22.362
  707    HA   HIS  91           HA       HIS  91   1.496 -14.894 -23.445
  708   1HB   HIS  91          2HB       HIS  91   0.401 -15.234 -21.213
  709   2HB   HIS  91          1HB       HIS  91  -1.011 -14.381 -21.829
  710    HD1  HIS  91           1HD      HIS  91   0.587 -17.680 -21.724
  711    HD2  HIS  91           2HD      HIS  91  -2.339 -15.791 -24.002
  712    HE1  HIS  91           1HE      HIS  91  -0.644 -19.520 -22.916
  713    HE2  HIS  91           2HE      HIS  91  -2.246 -18.334 -24.458
  714    H    HIS  92           H        HIS  92   1.329 -14.347 -25.525
  715    HA   HIS  92           HA       HIS  92  -1.234 -13.812 -26.641
  716   1HB   HIS  92          2HB       HIS  92  -0.859 -11.637 -27.609
  717   2HB   HIS  92          1HB       HIS  92  -0.582 -11.503 -25.879
  718    HD1  HIS  92           1HD      HIS  92   0.843 -10.569 -29.022
  719    HD2  HIS  92           2HD      HIS  92   2.375 -11.637 -25.302
  720    HE1  HIS  92           1HE      HIS  92   3.197  -9.679 -28.973
  721    HE2  HIS  92           2HE      HIS  92   4.140 -10.424 -26.760
  722    H    HIS  93           H        HIS  93  -1.105 -13.820 -29.060
  723    HA   HIS  93           HA       HIS  93   0.647 -15.906 -29.798
  724   1HB   HIS  93          2HB       HIS  93  -0.257 -15.730 -32.057
  725   2HB   HIS  93          1HB       HIS  93  -1.540 -15.686 -30.860
  726    HD1  HIS  93           1HD      HIS  93  -3.061 -13.665 -30.853
  727    HD2  HIS  93           2HD      HIS  93   0.165 -13.260 -33.448
  728    HE1  HIS  93           1HE      HIS  93  -3.569 -11.643 -32.259
  729    HE2  HIS  93           2HE      HIS  93  -1.590 -11.392 -33.808
  730    H    HIS  94           H        HIS  94   2.720 -15.691 -29.930
  731    HA   HIS  94           HA       HIS  94   3.903 -14.063 -31.950
  732   1HB   HIS  94          2HB       HIS  94   3.751 -12.354 -30.190
  733   2HB   HIS  94          1HB       HIS  94   4.550 -13.433 -29.053
  734    HD1  HIS  94           1HD      HIS  94   5.277 -11.455 -32.212
  735    HD2  HIS  94           2HD      HIS  94   7.288 -13.337 -29.091
  736    HE1  HIS  94           1HE      HIS  94   7.699 -10.836 -32.490
  737    HE2  HIS  94           2HE      HIS  94   8.869 -11.846 -30.497
  Start of MODEL    8
    1   1H    MET   1          1HT       MET   1  -2.522  17.436   7.303
    2   2H    MET   1          2HT       MET   1  -1.921  16.525   8.602
    3   3H    MET   1          3HT       MET   1  -1.941  15.872   7.041
    4    HA   MET   1           HA       MET   1  -0.312  17.377   6.272
    5   1HB   MET   1          2HB       MET   1  -0.510  18.584   9.037
    6   2HB   MET   1          1HB       MET   1   0.765  18.957   7.887
    7   1HG   MET   1          2HG       MET   1  -0.935  19.809   6.318
    8   2HG   MET   1          1HG       MET   1  -2.172  19.503   7.540
    9   1HE   MET   1          1HE       MET   1  -1.798  23.429   7.483
   10   2HE   MET   1          2HE       MET   1  -2.901  22.074   7.233
   11   3HE   MET   1          3HE       MET   1  -1.578  22.355   6.102
   12    H    TYR   2           H        TYR   2   0.761  15.443   6.088
   13    HA   TYR   2           HA       TYR   2   2.177  14.495   8.468
   14   1HB   TYR   2          2HB       TYR   2   1.637  13.189   5.807
   15   2HB   TYR   2          1HB       TYR   2   2.709  12.494   7.017
   16    HD1  TYR   2           2HD      TYR   2  -0.802  13.480   6.353
   17    HD2  TYR   2           1HD      TYR   2   1.847  11.340   8.898
   18    HE1  TYR   2           2HE      TYR   2  -2.729  12.451   7.485
   19    HE2  TYR   2           1HE      TYR   2  -0.069  10.302  10.032
   20    HH   TYR   2           HH       TYR   2  -3.288  10.548   8.852
   21    H    THR   3           H        THR   3   4.146  15.171   8.779
   22    HA   THR   3           HA       THR   3   5.532  16.557   6.628
   23    HB   THR   3           HB       THR   3   7.060  17.286   8.514
   24    HG1  THR   3           1HG      THR   3   5.286  16.796  10.479
   25   1HG2  THR   3          1HG2      THR   3   5.440  18.880   9.441
   26   2HG2  THR   3          2HG2      THR   3   4.117  17.917   8.785
   27   3HG2  THR   3          3HG2      THR   3   5.248  18.716   7.694
   28    H    ALA   4           H        ALA   4   8.068  16.461   7.098
   29    HA   ALA   4           HA       ALA   4   9.017  14.069   6.065
   30   1HB   ALA   4          1HB       ALA   4  10.582  16.105   7.643
   31   2HB   ALA   4          2HB       ALA   4  10.198  16.220   5.926
   32   3HB   ALA   4          3HB       ALA   4  11.242  14.924   6.511
   33    H    GLU   5           H        GLU   5   8.718  15.073   9.439
   34    HA   GLU   5           HA       GLU   5  10.234  13.000  10.591
   35   1HB   GLU   5          2HB       GLU   5   7.858  14.516  11.680
   36   2HB   GLU   5          1HB       GLU   5   8.886  13.462  12.632
   37   1HG   GLU   5          2HG       GLU   5  10.802  14.906  12.121
   38   2HG   GLU   5          1HG       GLU   5   9.724  15.991  11.246
   39    H    GLN   6           H        GLN   6   6.776  13.295   9.924
   40    HA   GLN   6           HA       GLN   6   6.130  10.683  10.821
   41   1HB   GLN   6          2HB       GLN   6   4.674  12.760   9.221
   42   2HB   GLN   6          1HB       GLN   6   3.985  11.162   9.467
   43   1HG   GLN   6          2HG       GLN   6   3.921  11.464  11.829
   44   2HG   GLN   6          1HG       GLN   6   4.865  12.949  11.718
   45   1HE2  GLN   6          1HE2      GLN   6   2.159  12.349  12.803
   46   2HE2  GLN   6          2HE2      GLN   6   1.098  13.472  12.012
   47    H    LYS   7           H        LYS   7   7.105  12.009   7.730
   48    HA   LYS   7           HA       LYS   7   6.396   9.946   6.024
   49   1HB   LYS   7          2HB       LYS   7   8.614  11.932   6.060
   50   2HB   LYS   7          1HB       LYS   7   8.735  10.592   4.930
   51   1HG   LYS   7          2HG       LYS   7   6.618  11.231   3.917
   52   2HG   LYS   7          1HG       LYS   7   6.443  12.544   5.085
   53   1HD   LYS   7          2HD       LYS   7   8.338  13.685   4.207
   54   2HD   LYS   7          1HD       LYS   7   8.794  12.298   3.219
   55   1HE   LYS   7          2HE       LYS   7   6.227  13.835   2.867
   56   2HE   LYS   7          1HE       LYS   7   7.706  14.179   1.970
   57   1HZ   LYS   7          1HZ       LYS   7   6.420  12.782   0.608
   58   2HZ   LYS   7          2HZ       LYS   7   6.052  11.724   1.874
   59   3HZ   LYS   7          3HZ       LYS   7   7.620  11.777   1.251
   60    H    ALA   8           H        ALA   8   9.255  10.192   8.121
   61    HA   ALA   8           HA       ALA   8  10.417   7.755   7.211
   62   1HB   ALA   8          1HB       ALA   8  10.914   9.250   9.784
   63   2HB   ALA   8          2HB       ALA   8  11.743   9.534   8.253
   64   3HB   ALA   8          3HB       ALA   8  11.938   7.993   9.090
   65    H    ARG   9           H        ARG   9   8.379   8.642   9.944
   66    HA   ARG   9           HA       ARG   9   8.490   6.154  11.279
   67   1HB   ARG   9          2HB       ARG   9   6.275   8.217  11.367
   68   2HB   ARG   9          1HB       ARG   9   6.609   6.982  12.576
   69   1HG   ARG   9          2HG       ARG   9   8.675   8.032  13.176
   70   2HG   ARG   9          1HG       ARG   9   8.539   9.173  11.840
   71   1HD   ARG   9          2HD       ARG   9   6.389   9.964  12.915
   72   2HD   ARG   9          1HD       ARG   9   6.857   9.012  14.323
   73    HE   ARG   9           HE       ARG   9   9.021  10.636  13.690
   74   1HH1  ARG   9          1HH1      ARG   9   5.703  11.021  14.751
   75   2HH1  ARG   9          2HH1      ARG   9   6.002  12.542  15.544
   76   1HH2  ARG   9          1HH2      ARG   9   9.414  12.619  14.726
   77   2HH2  ARG   9          2HH2      ARG   9   8.119  13.439  15.546
   78    H    ILE  10           H        ILE  10   6.304   7.489   8.858
   79    HA   ILE  10           HA       ILE  10   4.590   5.215   8.740
   80    HB   ILE  10           HB       ILE  10   5.063   7.433   6.739
   81   1HG1  ILE  10          2HG1      ILE  10   2.797   6.971   8.687
   82   2HG1  ILE  10          1HG1      ILE  10   4.119   8.109   8.933
   83   1HG2  ILE  10          1HG2      ILE  10   2.963   6.722   5.695
   84   2HG2  ILE  10          2HG2      ILE  10   2.891   5.339   6.787
   85   3HG2  ILE  10          3HG2      ILE  10   4.196   5.465   5.605
   86   1HD1  ILE  10          1HD1      ILE  10   2.053   8.227   6.736
   87   2HD1  ILE  10          2HD1      ILE  10   3.388   9.360   6.955
   88   3HD1  ILE  10          3HD1      ILE  10   2.119   9.248   8.173
   89    H    LYS  11           H        LYS  11   7.390   6.320   6.890
   90    HA   LYS  11           HA       LYS  11   7.489   4.369   4.923
   91   1HB   LYS  11          2HB       LYS  11   8.930   6.428   5.146
   92   2HB   LYS  11          1HB       LYS  11   9.885   5.551   6.329
   93   1HG   LYS  11          2HG       LYS  11  10.617   3.987   4.702
   94   2HG   LYS  11          1HG       LYS  11   9.467   4.599   3.509
   95   1HD   LYS  11          2HD       LYS  11  10.641   6.795   3.608
   96   2HD   LYS  11          1HD       LYS  11  11.846   6.052   4.658
   97   1HE   LYS  11          2HE       LYS  11  12.474   4.506   2.917
   98   2HE   LYS  11          1HE       LYS  11  11.181   5.106   1.877
   99   1HZ   LYS  11          1HZ       LYS  11  12.278   7.266   1.844
  100   2HZ   LYS  11          2HZ       LYS  11  13.301   6.056   1.248
  101   3HZ   LYS  11          3HZ       LYS  11  13.529   6.666   2.816
  102    H    TRP  12           H        TRP  12   8.752   4.269   8.235
  103    HA   TRP  12           HA       TRP  12   9.848   1.654   8.006
  104   1HB   TRP  12          2HB       TRP  12   9.184   3.451  10.311
  105   2HB   TRP  12          1HB       TRP  12   9.670   1.782  10.595
  106    HD1  TRP  12           HD       TRP  12  11.142   4.451   8.176
  107    HE1  TRP  12           1HE      TRP  12  13.679   4.585   8.593
  108    HE3  TRP  12           3HE      TRP  12  11.496   1.106  12.022
  109    HZ2  TRP  12           2HZ      TRP  12  15.572   3.429  10.338
  110    HZ3  TRP  12           3HZ      TRP  12  13.707   0.678  13.011
  111    HH2  TRP  12           HH       TRP  12  15.702   1.817  12.186
  112    H    ALA  13           H        ALA  13   6.694   2.902   8.822
  113    HA   ALA  13           HA       ALA  13   5.645   0.492   9.904
  114   1HB   ALA  13          1HB       ALA  13   4.634   2.684  10.340
  115   2HB   ALA  13          2HB       ALA  13   3.466   1.544   9.671
  116   3HB   ALA  13          3HB       ALA  13   4.163   2.798   8.645
  117    H    CYS  14           H        CYS  14   5.310   2.023   6.700
  118    HA   CYS  14           HA       CYS  14   3.844  -0.132   5.576
  119   1HB   CYS  14          2HB       CYS  14   4.370   0.963   3.390
  120   2HB   CYS  14          1HB       CYS  14   3.636   2.036   4.575
  121    HG   CYS  14           HG       CYS  14   6.007   3.344   5.222
  122    H    ARG  15           H        ARG  15   7.235   0.511   5.954
  123    HA   ARG  15           HA       ARG  15   8.291  -1.364   4.160
  124   1HB   ARG  15          2HB       ARG  15   9.601   0.341   5.428
  125   2HB   ARG  15          1HB       ARG  15   9.361  -0.606   6.888
  126   1HG   ARG  15          2HG       ARG  15  10.575  -2.476   5.842
  127   2HG   ARG  15          1HG       ARG  15  10.867  -1.462   4.427
  128   1HD   ARG  15          2HD       ARG  15  12.039   0.159   5.871
  129   2HD   ARG  15          1HD       ARG  15  11.796  -0.919   7.245
  130    HE   ARG  15           HE       ARG  15  13.537  -1.424   4.927
  131   1HH1  ARG  15          1HH1      ARG  15  12.440  -2.260   8.158
  132   2HH1  ARG  15          2HH1      ARG  15  13.785  -3.320   8.474
  133   1HH2  ARG  15          1HH2      ARG  15  15.275  -2.857   5.322
  134   2HH2  ARG  15          2HH2      ARG  15  15.377  -3.683   6.855
  135    H    ARG  16           H        ARG  16   6.913  -1.679   7.361
  136    HA   ARG  16           HA       ARG  16   6.134  -3.448   8.549
  137   1HB   ARG  16          2HB       ARG  16   6.334  -4.886   5.895
  138   2HB   ARG  16          1HB       ARG  16   5.451  -5.458   7.302
  139   1HG   ARG  16          2HG       ARG  16   4.775  -2.780   6.212
  140   2HG   ARG  16          1HG       ARG  16   4.249  -4.207   5.323
  141   1HD   ARG  16          2HD       ARG  16   2.495  -3.513   6.811
  142   2HD   ARG  16          1HD       ARG  16   3.162  -5.042   7.376
  143    HE   ARG  16           HE       ARG  16   4.495  -3.514   8.951
  144   1HH1  ARG  16          1HH1      ARG  16   1.263  -2.810   7.792
  145   2HH1  ARG  16          2HH1      ARG  16   0.797  -1.995   9.262
  146   1HH2  ARG  16          1HH2      ARG  16   3.878  -2.419  10.868
  147   2HH2  ARG  16          2HH2      ARG  16   2.268  -1.768  10.988
  148    H    GLY  17           H        GLY  17   6.648  -6.158   8.500
  149   1HA   GLY  17          2HA       GLY  17   9.473  -6.240   9.236
  150   2HA   GLY  17          1HA       GLY  17   8.265  -7.461   9.608
  151    H    MET  18           H        MET  18   7.883  -6.604   6.442
  152    HA   MET  18           HA       MET  18   9.705  -8.711   5.511
  153   1HB   MET  18          2HB       MET  18   7.984  -9.422   3.887
  154   2HB   MET  18          1HB       MET  18   7.477  -9.650   5.553
  155   1HG   MET  18          2HG       MET  18   6.168  -7.567   5.409
  156   2HG   MET  18          1HG       MET  18   6.619  -7.434   3.710
  157   1HE   MET  18          1HE       MET  18   3.959 -10.765   5.480
  158   2HE   MET  18          2HE       MET  18   4.581  -9.391   6.395
  159   3HE   MET  18          3HE       MET  18   5.684 -10.645   5.826
  160    H    LEU  19           H        LEU  19  10.840  -8.293   3.702
  161    HA   LEU  19           HA       LEU  19  11.230  -5.529   3.192
  162   1HB   LEU  19          2HB       LEU  19  12.443  -8.001   1.988
  163   2HB   LEU  19          1HB       LEU  19  12.965  -6.378   1.600
  164    HG   LEU  19           HG       LEU  19  13.095  -7.670   4.324
  165   1HD1  LEU  19          1HD1      LEU  19  14.728  -8.588   2.785
  166   2HD1  LEU  19          2HD1      LEU  19  15.521  -7.576   3.992
  167   3HD1  LEU  19          3HD1      LEU  19  15.266  -6.964   2.357
  168   1HD2  LEU  19          1HD2      LEU  19  14.025  -4.950   3.408
  169   2HD2  LEU  19          2HD2      LEU  19  14.344  -5.669   4.986
  170   3HD2  LEU  19          3HD2      LEU  19  12.690  -5.282   4.513
  171    H    GLU  20           H        GLU  20   9.467  -8.005   1.532
  172    HA   GLU  20           HA       GLU  20   9.490  -6.933  -1.055
  173   1HB   GLU  20          2HB       GLU  20   7.596  -8.744   0.383
  174   2HB   GLU  20          1HB       GLU  20   7.193  -8.140  -1.219
  175   1HG   GLU  20          2HG       GLU  20   9.623  -9.745  -0.466
  176   2HG   GLU  20          1HG       GLU  20   8.227 -10.307  -1.383
  177    H    LEU  21           H        LEU  21   7.527  -6.082   1.738
  178    HA   LEU  21           HA       LEU  21   5.680  -4.537   0.187
  179   1HB   LEU  21          2HB       LEU  21   6.186  -4.629   3.159
  180   2HB   LEU  21          1HB       LEU  21   4.919  -3.673   2.412
  181    HG   LEU  21           HG       LEU  21   5.153  -6.681   2.419
  182   1HD1  LEU  21          1HD1      LEU  21   3.075  -4.834   3.574
  183   2HD1  LEU  21          2HD1      LEU  21   4.318  -5.688   4.488
  184   3HD1  LEU  21          3HD1      LEU  21   3.062  -6.596   3.645
  185   1HD2  LEU  21          1HD2      LEU  21   3.125  -4.934   1.024
  186   2HD2  LEU  21          2HD2      LEU  21   3.037  -6.689   1.177
  187   3HD2  LEU  21          3HD2      LEU  21   4.338  -5.951   0.245
  188    H    ASP  22           H        ASP  22   8.725  -3.943   1.755
  189    HA   ASP  22           HA       ASP  22   8.683  -1.111   1.673
  190   1HB   ASP  22          2HB       ASP  22  10.370  -2.246   2.978
  191   2HB   ASP  22          1HB       ASP  22  10.976  -3.082   1.556
  192    H    VAL  23           H        VAL  23   9.316  -3.586  -0.683
  193    HA   VAL  23           HA       VAL  23  10.457  -1.882  -2.672
  194    HB   VAL  23           HB       VAL  23   9.154  -4.589  -3.010
  195   1HG1  VAL  23          1HG1      VAL  23  10.505  -4.762  -5.045
  196   2HG1  VAL  23          2HG1      VAL  23  11.097  -3.120  -4.791
  197   3HG1  VAL  23          3HG1      VAL  23   9.389  -3.399  -5.129
  198   1HG2  VAL  23          1HG2      VAL  23  11.428  -5.480  -2.903
  199   2HG2  VAL  23          2HG2      VAL  23  10.961  -4.682  -1.400
  200   3HG2  VAL  23          3HG2      VAL  23  12.036  -3.866  -2.535
  201    H    VAL  24           H        VAL  24   7.232  -2.582  -1.668
  202    HA   VAL  24           HA       VAL  24   6.163  -1.621  -4.239
  203    HB   VAL  24           HB       VAL  24   4.741  -3.275  -2.143
  204   1HG1  VAL  24          1HG1      VAL  24   3.010  -3.557  -3.845
  205   2HG1  VAL  24          2HG1      VAL  24   3.900  -2.493  -4.934
  206   3HG1  VAL  24          3HG1      VAL  24   3.226  -1.854  -3.434
  207   1HG2  VAL  24          1HG2      VAL  24   5.907  -4.077  -4.807
  208   2HG2  VAL  24          2HG2      VAL  24   4.925  -5.111  -3.770
  209   3HG2  VAL  24          3HG2      VAL  24   6.505  -4.555  -3.219
  210    H    ILE  25           H        ILE  25   5.421  -1.499  -0.736
  211    HA   ILE  25           HA       ILE  25   3.409   0.508  -1.188
  212    HB   ILE  25           HB       ILE  25   4.473  -0.515   1.452
  213   1HG1  ILE  25          2HG1      ILE  25   2.099  -1.460  -0.172
  214   2HG1  ILE  25          1HG1      ILE  25   3.607  -2.345   0.039
  215   1HG2  ILE  25          1HG2      ILE  25   1.895   0.881   0.742
  216   2HG2  ILE  25          2HG2      ILE  25   3.245   1.586   1.630
  217   3HG2  ILE  25          3HG2      ILE  25   2.320   0.260   2.337
  218   1HD1  ILE  25          1HD1      ILE  25   1.872  -3.226   1.482
  219   2HD1  ILE  25          2HD1      ILE  25   1.649  -1.636   2.212
  220   3HD1  ILE  25          3HD1      ILE  25   3.167  -2.505   2.438
  221    H    MET  26           H        MET  26   6.707   0.433   0.036
  222    HA   MET  26           HA       MET  26   6.742   2.917   1.317
  223   1HB   MET  26          2HB       MET  26   8.503   1.234   1.597
  224   2HB   MET  26          1HB       MET  26   9.020   1.487  -0.062
  225   1HG   MET  26          2HG       MET  26   8.996   3.749   1.888
  226   2HG   MET  26          1HG       MET  26  10.325   2.595   1.860
  227   1HE   MET  26          1HE       MET  26  11.756   3.085  -1.754
  228   2HE   MET  26          2HE       MET  26  10.545   1.905  -1.252
  229   3HE   MET  26          3HE       MET  26  11.935   2.239  -0.218
  230    HA   PRO  27           HA       PRO  27   8.167   4.976  -2.822
  231   1HB   PRO  27          2HB       PRO  27   7.662   3.611  -5.127
  232   2HB   PRO  27          1HB       PRO  27   9.215   3.550  -4.286
  233   1HG   PRO  27          2HG       PRO  27   6.948   1.599  -4.230
  234   2HG   PRO  27          1HG       PRO  27   8.692   1.291  -4.328
  235   1HD   PRO  27          2HD       PRO  27   7.314   1.049  -2.019
  236   2HD   PRO  27          1HD       PRO  27   9.001   1.599  -2.062
  237    H    PHE  28           H        PHE  28   5.408   2.837  -2.688
  238    HA   PHE  28           HA       PHE  28   3.670   4.334  -4.336
  239   1HB   PHE  28          2HB       PHE  28   3.201   2.002  -3.721
  240   2HB   PHE  28          1HB       PHE  28   3.011   2.477  -2.038
  241    HD1  PHE  28           2HD      PHE  28   1.558   2.801  -5.413
  242    HD2  PHE  28           1HD      PHE  28   0.966   3.350  -1.236
  243    HE1  PHE  28           2HE      PHE  28  -0.832   3.211  -5.812
  244    HE2  PHE  28           1HE      PHE  28  -1.429   3.767  -1.630
  245    HZ   PHE  28           HZ       PHE  28  -2.331   3.696  -3.921
  246    H    PHE  29           H        PHE  29   4.400   4.422  -0.878
  247    HA   PHE  29           HA       PHE  29   2.456   6.243  -0.054
  248   1HB   PHE  29          2HB       PHE  29   3.796   5.055   1.564
  249   2HB   PHE  29          1HB       PHE  29   5.269   5.800   0.960
  250    HD1  PHE  29           2HD      PHE  29   1.939   6.922   2.236
  251    HD2  PHE  29           1HD      PHE  29   6.164   7.434   2.270
  252    HE1  PHE  29           2HE      PHE  29   1.700   8.738   3.878
  253    HE2  PHE  29           1HE      PHE  29   5.936   9.246   3.920
  254    HZ   PHE  29           HZ       PHE  29   3.696   9.901   4.723
  255    H    GLU  30           H        GLU  30   5.649   6.810  -1.451
  256    HA   GLU  30           HA       GLU  30   5.616   9.620  -1.236
  257   1HB   GLU  30          2HB       GLU  30   7.048   7.790  -3.164
  258   2HB   GLU  30          1HB       GLU  30   7.386   9.496  -2.965
  259   1HG   GLU  30          2HG       GLU  30   7.503   7.613  -0.695
  260   2HG   GLU  30          1HG       GLU  30   8.877   7.879  -1.750
  261    H    GLU  31           H        GLU  31   4.699   7.436  -3.865
  262    HA   GLU  31           HA       GLU  31   4.029   9.491  -5.700
  263   1HB   GLU  31          2HB       GLU  31   3.161   6.601  -5.635
  264   2HB   GLU  31          1HB       GLU  31   2.895   7.697  -6.984
  265   1HG   GLU  31          2HG       GLU  31   5.367   7.985  -7.137
  266   2HG   GLU  31          1HG       GLU  31   5.529   6.717  -5.921
  267    H    CYS  32           H        CYS  32   1.986   7.438  -3.626
  268    HA   CYS  32           HA       CYS  32  -0.448   8.408  -4.657
  269   1HB   CYS  32          2HB       CYS  32  -1.515   7.312  -2.751
  270   2HB   CYS  32          1HB       CYS  32  -0.295   6.269  -3.471
  271    HG   CYS  32           HG       CYS  32   1.503   6.406  -1.471
  272    H    PHE  33           H        PHE  33   1.506   9.423  -1.896
  273    HA   PHE  33           HA       PHE  33  -0.279  11.122  -0.649
  274   1HB   PHE  33          2HB       PHE  33   1.787  10.695   0.429
  275   2HB   PHE  33          1HB       PHE  33   2.719  11.242  -0.957
  276    HD1  PHE  33           2HD      PHE  33   0.388  12.459   1.673
  277    HD2  PHE  33           1HD      PHE  33   3.523  13.420  -1.043
  278    HE1  PHE  33           2HE      PHE  33   0.570  14.695   2.680
  279    HE2  PHE  33           1HE      PHE  33   3.712  15.658  -0.038
  280    HZ   PHE  33           HZ       PHE  33   2.233  16.297   1.827
  281    H    ASP  34           H        ASP  34   1.793  11.773  -3.438
  282    HA   ASP  34           HA       ASP  34   1.143  14.540  -3.610
  283   1HB   ASP  34          2HB       ASP  34   3.210  13.527  -4.557
  284   2HB   ASP  34          1HB       ASP  34   2.224  12.715  -5.768
  285    H    SER  35           H        SER  35  -0.489  11.683  -4.547
  286    HA   SER  35           HA       SER  35  -2.039  13.093  -6.606
  287   1HB   SER  35          2HB       SER  35  -0.889  11.023  -7.299
  288   2HB   SER  35          1HB       SER  35  -1.765  10.126  -6.064
  289    HG   SER  35           HG       SER  35  -3.601  11.371  -7.452
  290    H    LEU  36           H        LEU  36  -2.279  11.911  -3.413
  291    HA   LEU  36           HA       LEU  36  -5.200  11.633  -3.602
  292   1HB   LEU  36          2HB       LEU  36  -3.427  10.832  -1.297
  293   2HB   LEU  36          1HB       LEU  36  -5.120  10.440  -1.510
  294    HG   LEU  36           HG       LEU  36  -2.791   9.354  -3.083
  295   1HD1  LEU  36          1HD1      LEU  36  -3.075   8.363  -0.894
  296   2HD1  LEU  36          2HD1      LEU  36  -3.549   7.215  -2.146
  297   3HD1  LEU  36          3HD1      LEU  36  -4.783   8.071  -1.222
  298   1HD2  LEU  36          1HD2      LEU  36  -4.444   7.994  -4.285
  299   2HD2  LEU  36          2HD2      LEU  36  -4.665   9.716  -4.595
  300   3HD2  LEU  36          3HD2      LEU  36  -5.745   8.874  -3.483
  301    H    THR  37           H        THR  37  -6.397  12.325  -1.627
  302    HA   THR  37           HA       THR  37  -5.562  14.959  -0.735
  303    HB   THR  37           HB       THR  37  -7.742  14.901   0.509
  304    HG1  THR  37           1HG      THR  37  -8.227  12.500  -0.955
  305   1HG2  THR  37          1HG2      THR  37  -7.629  15.888  -1.718
  306   2HG2  THR  37          2HG2      THR  37  -9.167  15.059  -1.485
  307   3HG2  THR  37          3HG2      THR  37  -7.897  14.305  -2.449
  308    H    GLU  38           H        GLU  38  -5.715  15.417   1.670
  309    HA   GLU  38           HA       GLU  38  -4.002  13.701   3.116
  310   1HB   GLU  38          2HB       GLU  38  -5.834  15.880   4.114
  311   2HB   GLU  38          1HB       GLU  38  -4.554  15.133   5.052
  312   1HG   GLU  38          2HG       GLU  38  -2.958  15.915   3.290
  313   2HG   GLU  38          1HG       GLU  38  -4.288  16.834   2.595
  314    H    SER  39           H        SER  39  -7.464  14.080   2.983
  315    HA   SER  39           HA       SER  39  -8.283  12.450   5.063
  316   1HB   SER  39          2HB       SER  39  -9.647  12.583   2.375
  317   2HB   SER  39          1HB       SER  39 -10.384  12.429   3.970
  318    HG   SER  39           HG       SER  39 -10.587  14.533   3.722
  319    H    GLU  40           H        GLU  40  -7.671  11.564   1.659
  320    HA   GLU  40           HA       GLU  40  -8.082   8.798   1.951
  321   1HB   GLU  40          2HB       GLU  40  -6.306  10.306   0.021
  322   2HB   GLU  40          1HB       GLU  40  -6.708   8.602  -0.123
  323   1HG   GLU  40          2HG       GLU  40  -9.000   9.094  -0.520
  324   2HG   GLU  40          1HG       GLU  40  -8.768  10.793  -0.108
  325    H    GLN  41           H        GLN  41  -5.183  10.794   2.238
  326    HA   GLN  41           HA       GLN  41  -3.277   8.842   2.588
  327   1HB   GLN  41          2HB       GLN  41  -3.229  11.493   2.443
  328   2HB   GLN  41          1HB       GLN  41  -3.125  11.342   4.193
  329   1HG   GLN  41          2HG       GLN  41  -1.264   9.642   3.646
  330   2HG   GLN  41          1HG       GLN  41  -1.213  10.474   2.098
  331   1HE2  GLN  41          1HE2      GLN  41   0.837  10.365   4.124
  332   2HE2  GLN  41          2HE2      GLN  41   1.138  11.994   4.611
  333    H    ASP  42           H        ASP  42  -5.398  10.380   4.974
  334    HA   ASP  42           HA       ASP  42  -4.221   9.331   7.289
  335   1HB   ASP  42          2HB       ASP  42  -5.865  11.159   7.327
  336   2HB   ASP  42          1HB       ASP  42  -7.126  10.036   6.829
  337    H    ASP  43           H        ASP  43  -6.876   8.083   5.312
  338    HA   ASP  43           HA       ASP  43  -7.461   5.801   6.821
  339   1HB   ASP  43          2HB       ASP  43  -7.822   6.544   3.939
  340   2HB   ASP  43          1HB       ASP  43  -8.174   4.903   4.461
  341    H    PHE  44           H        PHE  44  -5.086   6.357   4.289
  342    HA   PHE  44           HA       PHE  44  -4.155   3.682   4.098
  343   1HB   PHE  44          2HB       PHE  44  -3.789   5.303   2.312
  344   2HB   PHE  44          1HB       PHE  44  -2.832   6.316   3.384
  345    HD1  PHE  44           2HD      PHE  44  -2.876   2.779   2.178
  346    HD2  PHE  44           1HD      PHE  44  -0.568   6.224   3.136
  347    HE1  PHE  44           2HE      PHE  44  -0.836   1.612   1.451
  348    HE2  PHE  44           1HE      PHE  44   1.474   5.064   2.405
  349    HZ   PHE  44           HZ       PHE  44   1.340   2.754   1.562
  350    H    VAL  45           H        VAL  45  -3.125   6.484   6.012
  351    HA   VAL  45           HA       VAL  45  -0.853   5.255   7.169
  352    HB   VAL  45           HB       VAL  45  -2.572   7.496   8.256
  353   1HG1  VAL  45          1HG1      VAL  45   0.192   6.599   9.072
  354   2HG1  VAL  45          2HG1      VAL  45  -1.276   6.483  10.043
  355   3HG1  VAL  45          3HG1      VAL  45  -0.609   8.065   9.633
  356   1HG2  VAL  45          1HG2      VAL  45   0.025   7.581   6.715
  357   2HG2  VAL  45          2HG2      VAL  45  -0.846   8.975   7.353
  358   3HG2  VAL  45          3HG2      VAL  45  -1.566   7.994   6.075
  359    H    ALA  46           H        ALA  46  -4.229   5.519   8.215
  360    HA   ALA  46           HA       ALA  46  -4.018   4.306  10.713
  361   1HB   ALA  46          1HB       ALA  46  -6.041   5.434   9.972
  362   2HB   ALA  46          2HB       ALA  46  -6.400   3.786  10.486
  363   3HB   ALA  46          3HB       ALA  46  -6.318   4.173   8.768
  364    H    LEU  47           H        LEU  47  -4.311   2.889   7.514
  365    HA   LEU  47           HA       LEU  47  -4.584   0.196   8.271
  366   1HB   LEU  47          2HB       LEU  47  -3.406   1.503   5.825
  367   2HB   LEU  47          1HB       LEU  47  -3.547  -0.233   5.983
  368    HG   LEU  47           HG       LEU  47  -5.865   1.701   6.038
  369   1HD1  LEU  47          1HD1      LEU  47  -4.806   1.568   3.832
  370   2HD1  LEU  47          2HD1      LEU  47  -6.403   0.820   3.832
  371   3HD1  LEU  47          3HD1      LEU  47  -4.957  -0.189   3.868
  372   1HD2  LEU  47          1HD2      LEU  47  -6.289  -0.303   7.349
  373   2HD2  LEU  47          2HD2      LEU  47  -5.782  -1.313   5.994
  374   3HD2  LEU  47          3HD2      LEU  47  -7.235  -0.321   5.861
  375    H    LEU  48           H        LEU  48  -1.702   2.106   7.490
  376    HA   LEU  48           HA       LEU  48   0.132  -0.023   7.763
  377   1HB   LEU  48          2HB       LEU  48   0.625   2.945   7.950
  378   2HB   LEU  48          1HB       LEU  48   1.855   1.718   7.713
  379    HG   LEU  48           HG       LEU  48  -0.367   2.370   5.776
  380   1HD1  LEU  48          1HD1      LEU  48   2.591   2.925   5.627
  381   2HD1  LEU  48          2HD1      LEU  48   1.331   4.122   5.928
  382   3HD1  LEU  48          3HD1      LEU  48   1.396   3.281   4.379
  383   1HD2  LEU  48          1HD2      LEU  48   0.790   0.850   4.257
  384   2HD2  LEU  48          2HD2      LEU  48   0.270   0.009   5.717
  385   3HD2  LEU  48          3HD2      LEU  48   1.961   0.467   5.521
  386    H    GLU  49           H        GLU  49  -1.325   2.094  10.093
  387    HA   GLU  49           HA       GLU  49   0.615   1.632  12.145
  388   1HB   GLU  49          2HB       GLU  49  -2.195   2.720  12.256
  389   2HB   GLU  49          1HB       GLU  49  -1.168   2.557  13.674
  390   1HG   GLU  49          2HG       GLU  49   0.530   3.961  12.390
  391   2HG   GLU  49          1HG       GLU  49  -0.800   4.341  11.299
  392    H    SER  50           H        SER  50  -1.873  -0.218  10.810
  393    HA   SER  50           HA       SER  50  -2.009  -1.983  13.144
  394   1HB   SER  50          2HB       SER  50  -3.422  -2.167  10.465
  395   2HB   SER  50          1HB       SER  50  -3.735  -3.178  11.876
  396    HG   SER  50           HG       SER  50  -4.070  -0.355  11.763
  397    H    ASP  51           H        ASP  51  -2.146  -4.454  12.028
  398    HA   ASP  51           HA       ASP  51   0.387  -4.789  10.605
  399   1HB   ASP  51          2HB       ASP  51  -0.187  -6.173  12.683
  400   2HB   ASP  51          1HB       ASP  51  -1.402  -6.973  11.696
  401    H    ASP  52           H        ASP  52   0.312  -6.279   8.637
  402    HA   ASP  52           HA       ASP  52  -2.178  -5.618   7.204
  403   1HB   ASP  52          2HB       ASP  52   0.672  -5.578   6.265
  404   2HB   ASP  52          1HB       ASP  52  -0.673  -5.623   5.132
  405    HA   PRO  53           HA       PRO  53  -1.694 -10.187   6.334
  406   1HB   PRO  53          2HB       PRO  53  -3.920 -10.761   8.106
  407   2HB   PRO  53          1HB       PRO  53  -2.295 -11.448   8.125
  408   1HG   PRO  53          2HG       PRO  53  -3.247  -9.803  10.076
  409   2HG   PRO  53          1HG       PRO  53  -1.529  -9.931   9.653
  410   1HD   PRO  53          2HD       PRO  53  -3.531  -7.845   8.846
  411   2HD   PRO  53          1HD       PRO  53  -1.839  -7.647   9.352
  412    H    ASP  54           H        ASP  54  -4.319  -8.010   7.076
  413    HA   ASP  54           HA       ASP  54  -6.285  -9.092   5.344
  414   1HB   ASP  54          2HB       ASP  54  -5.959  -6.246   6.346
  415   2HB   ASP  54          1HB       ASP  54  -7.422  -6.930   5.647
  416    H    LEU  55           H        LEU  55  -3.955  -6.436   5.019
  417    HA   LEU  55           HA       LEU  55  -4.700  -5.617   2.443
  418   1HB   LEU  55          2HB       LEU  55  -3.203  -4.410   4.111
  419   2HB   LEU  55          1HB       LEU  55  -1.912  -5.471   3.588
  420    HG   LEU  55           HG       LEU  55  -3.377  -3.731   1.620
  421   1HD1  LEU  55          1HD1      LEU  55  -1.602  -2.057   1.922
  422   2HD1  LEU  55          2HD1      LEU  55  -0.981  -2.980   3.292
  423   3HD1  LEU  55          3HD1      LEU  55  -2.585  -2.251   3.374
  424   1HD2  LEU  55          1HD2      LEU  55  -1.282  -3.907   0.374
  425   2HD2  LEU  55          2HD2      LEU  55  -1.958  -5.501   0.712
  426   3HD2  LEU  55          3HD2      LEU  55  -0.595  -4.901   1.657
  427    H    PHE  56           H        PHE  56  -2.146  -7.851   3.517
  428    HA   PHE  56           HA       PHE  56  -1.256  -8.584   0.953
  429   1HB   PHE  56          2HB       PHE  56  -0.091  -9.017   3.156
  430   2HB   PHE  56          1HB       PHE  56  -1.226 -10.333   3.417
  431    HD1  PHE  56           1HD      PHE  56   1.042  -9.126   0.710
  432    HD2  PHE  56           2HD      PHE  56  -0.466 -12.436   2.920
  433    HE1  PHE  56           1HE      PHE  56   2.526 -10.635  -0.544
  434    HE2  PHE  56           2HE      PHE  56   1.006 -13.952   1.661
  435    HZ   PHE  56           HZ       PHE  56   2.507 -13.050  -0.073
  436    H    ALA  57           H        ALA  57  -3.935  -9.660   2.914
  437    HA   ALA  57           HA       ALA  57  -4.548 -12.032   1.511
  438   1HB   ALA  57          1HB       ALA  57  -6.411 -10.243   3.065
  439   2HB   ALA  57          2HB       ALA  57  -5.439 -11.552   3.740
  440   3HB   ALA  57          3HB       ALA  57  -6.725 -11.909   2.586
  441    H    TRP  58           H        TRP  58  -5.742  -8.688   1.143
  442    HA   TRP  58           HA       TRP  58  -7.547  -9.305  -0.929
  443   1HB   TRP  58          2HB       TRP  58  -6.274  -6.741  -0.041
  444   2HB   TRP  58          1HB       TRP  58  -7.274  -6.797  -1.490
  445    HD1  TRP  58           HD       TRP  58  -7.592  -7.822   2.219
  446    HE1  TRP  58           1HE      TRP  58 -10.007  -7.369   2.979
  447    HE3  TRP  58           3HE      TRP  58  -9.529  -6.212  -2.224
  448    HZ2  TRP  58           2HZ      TRP  58 -12.422  -6.456   1.831
  449    HZ3  TRP  58           3HZ      TRP  58 -11.907  -5.570  -2.310
  450    HH2  TRP  58           HH       TRP  58 -13.320  -5.692  -0.321
  451    H    VAL  59           H        VAL  59  -4.124  -8.602  -0.924
  452    HA   VAL  59           HA       VAL  59  -3.785  -8.212  -3.703
  453    HB   VAL  59           HB       VAL  59  -1.813  -9.374  -1.722
  454   1HG1  VAL  59          1HG1      VAL  59  -1.336  -8.119  -4.425
  455   2HG1  VAL  59          2HG1      VAL  59  -1.185  -9.833  -4.039
  456   3HG1  VAL  59          3HG1      VAL  59  -0.091  -8.663  -3.302
  457   1HG2  VAL  59          1HG2      VAL  59  -2.598  -7.176  -1.038
  458   2HG2  VAL  59          2HG2      VAL  59  -2.220  -6.528  -2.634
  459   3HG2  VAL  59          3HG2      VAL  59  -0.922  -7.095  -1.582
  460    H    MET  60           H        MET  60  -4.024 -11.080  -1.694
  461    HA   MET  60           HA       MET  60  -3.383 -12.844  -3.920
  462   1HB   MET  60          2HB       MET  60  -4.197 -13.457  -1.076
  463   2HB   MET  60          1HB       MET  60  -3.747 -14.665  -2.272
  464   1HG   MET  60          2HG       MET  60  -1.515 -13.676  -2.422
  465   2HG   MET  60          1HG       MET  60  -1.969 -12.480  -1.210
  466   1HE   MET  60          1HE       MET  60  -3.766 -14.287   0.757
  467   2HE   MET  60          2HE       MET  60  -2.594 -13.081   1.289
  468   3HE   MET  60          3HE       MET  60  -2.544 -14.714   1.955
  469    H    GLY  61           H        GLY  61  -6.154 -11.520  -2.375
  470   1HA   GLY  61          2HA       GLY  61  -8.235 -11.501  -3.604
  471   2HA   GLY  61          1HA       GLY  61  -7.860 -13.122  -4.168
  472    H    HIS  62           H        HIS  62  -8.005 -11.570  -0.957
  473    HA   HIS  62           HA       HIS  62 -10.164 -13.347  -0.178
  474   1HB   HIS  62          2HB       HIS  62  -7.523 -13.226   1.305
  475   2HB   HIS  62          1HB       HIS  62  -8.996 -13.907   1.980
  476    HD1  HIS  62           1HD      HIS  62  -9.916 -16.119   0.757
  477    HD2  HIS  62           2HD      HIS  62  -6.061 -14.924  -0.274
  478    HE1  HIS  62           1HE      HIS  62  -8.846 -18.119  -0.335
  479    HE2  HIS  62           2HE      HIS  62  -6.599 -17.306  -1.130
  480    H    GLY  63           H        GLY  63 -11.474 -11.597  -0.016
  481   1HA   GLY  63          2HA       GLY  63 -10.622  -9.345   1.659
  482   2HA   GLY  63          1HA       GLY  63 -11.998  -9.355   0.567
  483    H    ARG  64           H        ARG  64 -13.825  -9.170   1.600
  484    HA   ARG  64           HA       ARG  64 -15.494  -9.353   3.111
  485   1HB   ARG  64          2HB       ARG  64 -13.924 -11.744   4.045
  486   2HB   ARG  64          1HB       ARG  64 -15.494 -11.299   4.699
  487   1HG   ARG  64          2HG       ARG  64 -16.446 -11.507   2.415
  488   2HG   ARG  64          1HG       ARG  64 -14.876 -12.090   1.860
  489   1HD   ARG  64          2HD       ARG  64 -16.323 -13.969   2.292
  490   2HD   ARG  64          1HD       ARG  64 -15.022 -13.942   3.482
  491    HE   ARG  64           HE       ARG  64 -17.369 -12.586   4.408
  492   1HH1  ARG  64          1HH1      ARG  64 -15.908 -15.741   3.990
  493   2HH1  ARG  64          2HH1      ARG  64 -16.830 -16.486   5.260
  494   1HH2  ARG  64          1HH2      ARG  64 -18.579 -13.558   6.085
  495   2HH2  ARG  64          2HH2      ARG  64 -18.352 -15.242   6.451
  496    H    CYS  65           H        CYS  65 -13.013  -7.831   3.641
  497    HA   CYS  65           HA       CYS  65 -12.675  -7.776   6.485
  498   1HB   CYS  65          2HB       CYS  65 -11.838  -5.826   4.337
  499   2HB   CYS  65          1HB       CYS  65 -11.419  -5.659   6.040
  500    HG   CYS  65           HG       CYS  65  -9.597  -7.555   6.174
  501    H    GLU  66           H        GLU  66 -13.040  -5.785   7.757
  502    HA   GLU  66           HA       GLU  66 -15.782  -5.325   7.971
  503   1HB   GLU  66          2HB       GLU  66 -13.519  -3.652   9.064
  504   2HB   GLU  66          1HB       GLU  66 -15.189  -3.584   9.603
  505   1HG   GLU  66          2HG       GLU  66 -13.396  -5.989   9.807
  506   2HG   GLU  66          1HG       GLU  66 -13.743  -4.859  11.114
  507    H    ASN  67           H        ASN  67 -13.265  -3.207   6.628
  508    HA   ASN  67           HA       ASN  67 -15.402  -1.315   5.882
  509   1HB   ASN  67          2HB       ASN  67 -13.918  -0.507   7.705
  510   2HB   ASN  67          1HB       ASN  67 -12.541  -0.662   6.622
  511   1HD2  ASN  67          1HD2      ASN  67 -15.357   1.168   7.433
  512   2HD2  ASN  67          2HD2      ASN  67 -15.036   2.514   6.389
  513    H    LEU  68           H        LEU  68 -15.705  -1.200   3.768
  514    HA   LEU  68           HA       LEU  68 -13.763  -2.224   1.919
  515   1HB   LEU  68          2HB       LEU  68 -16.403  -0.838   1.485
  516   2HB   LEU  68          1HB       LEU  68 -15.410  -1.474   0.187
  517    HG   LEU  68           HG       LEU  68 -16.741  -3.061   2.381
  518   1HD1  LEU  68          1HD1      LEU  68 -17.998  -4.057   0.555
  519   2HD1  LEU  68          2HD1      LEU  68 -17.144  -3.043  -0.607
  520   3HD1  LEU  68          3HD1      LEU  68 -18.221  -2.307   0.580
  521   1HD2  LEU  68          1HD2      LEU  68 -15.837  -5.039   1.215
  522   2HD2  LEU  68          2HD2      LEU  68 -14.576  -4.033   1.924
  523   3HD2  LEU  68          3HD2      LEU  68 -14.880  -3.972   0.188
  524    H    GLY  69           H        GLY  69 -14.524   0.923   3.160
  525   1HA   GLY  69          2HA       GLY  69 -13.400   2.523   1.128
  526   2HA   GLY  69          1HA       GLY  69 -13.508   2.955   2.831
  527    H    LEU  70           H        LEU  70 -11.955   1.015   3.987
  528    HA   LEU  70           HA       LEU  70  -9.298   1.848   3.461
  529   1HB   LEU  70          2HB       LEU  70 -10.343  -0.506   5.036
  530   2HB   LEU  70          1HB       LEU  70  -8.672   0.021   5.027
  531    HG   LEU  70           HG       LEU  70 -11.002   1.661   6.023
  532   1HD1  LEU  70          1HD1      LEU  70 -10.540  -0.252   7.463
  533   2HD1  LEU  70          2HD1      LEU  70 -10.066   1.258   8.241
  534   3HD1  LEU  70          3HD1      LEU  70  -8.839   0.204   7.536
  535   1HD2  LEU  70          1HD2      LEU  70  -9.178   3.019   5.117
  536   2HD2  LEU  70          2HD2      LEU  70  -8.031   2.171   6.155
  537   3HD2  LEU  70          3HD2      LEU  70  -9.292   3.175   6.870
  538    H    ALA  71           H        ALA  71 -11.233  -0.921   2.526
  539    HA   ALA  71           HA       ALA  71  -9.165  -2.474   1.387
  540   1HB   ALA  71          1HB       ALA  71 -12.097  -2.438   0.685
  541   2HB   ALA  71          2HB       ALA  71 -11.357  -3.389   1.973
  542   3HB   ALA  71          3HB       ALA  71 -10.942  -3.712   0.290
  543    H    ALA  72           H        ALA  72 -11.092   0.184   0.180
  544    HA   ALA  72           HA       ALA  72 -10.418  -0.033  -2.550
  545   1HB   ALA  72          1HB       ALA  72 -12.238   1.386  -1.748
  546   2HB   ALA  72          2HB       ALA  72 -11.089   2.316  -2.709
  547   3HB   ALA  72          3HB       ALA  72 -11.075   2.444  -0.949
  548    H    MET  73           H        MET  73  -8.738   1.252   0.224
  549    HA   MET  73           HA       MET  73  -6.679   2.565  -1.258
  550   1HB   MET  73          2HB       MET  73  -6.651   1.565   1.602
  551   2HB   MET  73          1HB       MET  73  -5.482   2.669   0.890
  552   1HG   MET  73          2HG       MET  73  -8.411   3.197   1.318
  553   2HG   MET  73          1HG       MET  73  -7.073   3.876   2.245
  554   1HE   MET  73          1HE       MET  73  -8.084   6.336   1.811
  555   2HE   MET  73          2HE       MET  73  -9.399   5.592   0.903
  556   3HE   MET  73          3HE       MET  73  -8.494   6.937   0.205
  557    H    VAL  74           H        VAL  74  -7.134  -0.636   0.139
  558    HA   VAL  74           HA       VAL  74  -4.563  -1.653  -0.490
  559    HB   VAL  74           HB       VAL  74  -7.153  -3.198  -0.256
  560   1HG1  VAL  74          1HG1      VAL  74  -5.703  -5.086   0.325
  561   2HG1  VAL  74          2HG1      VAL  74  -4.284  -4.078   0.044
  562   3HG1  VAL  74          3HG1      VAL  74  -5.363  -4.476  -1.294
  563   1HG2  VAL  74          1HG2      VAL  74  -6.500  -3.574   2.086
  564   2HG2  VAL  74          2HG2      VAL  74  -6.800  -1.871   1.742
  565   3HG2  VAL  74          3HG2      VAL  74  -5.144  -2.465   1.873
  566    H    ASP  75           H        ASP  75  -7.625  -1.486  -2.213
  567    HA   ASP  75           HA       ASP  75  -7.048  -2.948  -4.500
  568   1HB   ASP  75          2HB       ASP  75  -9.264  -2.072  -4.118
  569   2HB   ASP  75          1HB       ASP  75  -8.676  -0.418  -4.170
  570    H    LYS  76           H        LYS  76  -6.216   0.373  -3.686
  571    HA   LYS  76           HA       LYS  76  -4.985   1.008  -6.164
  572   1HB   LYS  76          2HB       LYS  76  -4.505   2.250  -3.448
  573   2HB   LYS  76          1HB       LYS  76  -4.106   2.960  -5.007
  574   1HG   LYS  76          2HG       LYS  76  -6.442   3.094  -5.593
  575   2HG   LYS  76          1HG       LYS  76  -6.891   2.280  -4.095
  576   1HD   LYS  76          2HD       LYS  76  -5.874   4.169  -2.839
  577   2HD   LYS  76          1HD       LYS  76  -5.613   4.994  -4.380
  578   1HE   LYS  76          2HE       LYS  76  -8.277   4.107  -3.277
  579   2HE   LYS  76          1HE       LYS  76  -7.660   5.758  -3.271
  580   1HZ   LYS  76          1HZ       LYS  76  -7.838   5.913  -5.574
  581   2HZ   LYS  76          2HZ       LYS  76  -9.257   5.111  -5.115
  582   3HZ   LYS  76          3HZ       LYS  76  -7.968   4.238  -5.789
  583    H    ILE  77           H        ILE  77  -3.789  -0.295  -3.111
  584    HA   ILE  77           HA       ILE  77  -1.048  -0.379  -3.694
  585    HB   ILE  77           HB       ILE  77  -2.664  -2.399  -2.122
  586   1HG1  ILE  77          2HG1      ILE  77  -2.892  -0.104  -1.248
  587   2HG1  ILE  77          1HG1      ILE  77  -2.009  -1.144  -0.136
  588   1HG2  ILE  77          1HG2      ILE  77   0.303  -1.860  -2.123
  589   2HG2  ILE  77          2HG2      ILE  77  -0.505  -3.302  -2.736
  590   3HG2  ILE  77          3HG2      ILE  77  -0.539  -2.940  -1.011
  591   1HD1  ILE  77          1HD1      ILE  77  -1.031   1.077  -0.286
  592   2HD1  ILE  77          2HD1      ILE  77  -0.781   0.855  -2.018
  593   3HD1  ILE  77          3HD1      ILE  77   0.086  -0.159  -0.864
  594    H    VAL  78           H        VAL  78  -3.618  -2.746  -4.290
  595    HA   VAL  78           HA       VAL  78  -2.018  -4.654  -5.609
  596    HB   VAL  78           HB       VAL  78  -4.980  -4.152  -5.941
  597   1HG1  VAL  78          1HG1      VAL  78  -4.093  -5.541  -7.733
  598   2HG1  VAL  78          2HG1      VAL  78  -5.092  -6.501  -6.643
  599   3HG1  VAL  78          3HG1      VAL  78  -3.335  -6.607  -6.550
  600   1HG2  VAL  78          1HG2      VAL  78  -4.364  -4.534  -3.609
  601   2HG2  VAL  78          2HG2      VAL  78  -3.537  -6.022  -4.069
  602   3HG2  VAL  78          3HG2      VAL  78  -5.285  -5.891  -4.257
  603    H    ALA  79           H        ALA  79  -3.772  -1.821  -6.756
  604    HA   ALA  79           HA       ALA  79  -3.575  -2.318  -9.518
  605   1HB   ALA  79          1HB       ALA  79  -5.079  -0.637  -8.585
  606   2HB   ALA  79          2HB       ALA  79  -4.011   0.070  -9.798
  607   3HB   ALA  79          3HB       ALA  79  -3.692   0.334  -8.084
  608    H    HIS  80           H        HIS  80  -1.411  -0.600  -7.291
  609    HA   HIS  80           HA       HIS  80   0.464   0.229  -9.252
  610   1HB   HIS  80          2HB       HIS  80   0.208   1.042  -6.821
  611   2HB   HIS  80          1HB       HIS  80   1.143  -0.380  -6.375
  612    HD1  HIS  80           1HD      HIS  80   3.669  -0.411  -7.115
  613    HD2  HIS  80           2HD      HIS  80   1.644   3.135  -7.913
  614    HE1  HIS  80           1HE      HIS  80   5.450   1.302  -7.565
  615    HE2  HIS  80           2HE      HIS  80   4.209   3.478  -7.853
  616    H    ASN  81           H        ASN  81   0.246  -2.578  -7.134
  617    HA   ASN  81           HA       ASN  81   2.639  -3.852  -7.953
  618   1HB   ASN  81          2HB       ASN  81   1.705  -4.560  -5.905
  619   2HB   ASN  81          1HB       ASN  81   0.115  -4.799  -6.612
  620   1HD2  ASN  81          1HD2      ASN  81  -0.358  -6.723  -7.622
  621   2HD2  ASN  81          2HD2      ASN  81   0.700  -8.089  -7.586
  622    H    LEU  82           H        LEU  82  -0.641  -3.907  -9.170
  623    HA   LEU  82           HA       LEU  82  -0.567  -6.153 -10.789
  624   1HB   LEU  82          2HB       LEU  82  -2.484  -4.500 -10.206
  625   2HB   LEU  82          1HB       LEU  82  -1.951  -3.619 -11.621
  626    HG   LEU  82           HG       LEU  82  -2.736  -6.521 -11.771
  627   1HD1  LEU  82          1HD1      LEU  82  -4.954  -5.758 -12.497
  628   2HD1  LEU  82          2HD1      LEU  82  -4.506  -4.101 -12.088
  629   3HD1  LEU  82          3HD1      LEU  82  -4.618  -5.324 -10.822
  630   1HD2  LEU  82          1HD2      LEU  82  -1.480  -5.626 -13.667
  631   2HD2  LEU  82          2HD2      LEU  82  -2.643  -4.309 -13.824
  632   3HD2  LEU  82          3HD2      LEU  82  -3.149  -5.973 -14.121
  633    H    SER  83           H        SER  83   0.699  -2.926 -11.366
  634    HA   SER  83           HA       SER  83   1.152  -3.219 -14.130
  635   1HB   SER  83          2HB       SER  83   2.741  -1.499 -12.209
  636   2HB   SER  83          1HB       SER  83   2.555  -1.260 -13.946
  637    HG   SER  83           HG       SER  83   0.123  -1.316 -13.105
  638    H    LYS  84           H        LYS  84   3.369  -3.740 -11.349
  639    HA   LYS  84           HA       LYS  84   5.521  -4.514 -13.049
  640   1HB   LYS  84          2HB       LYS  84   6.729  -5.111 -11.067
  641   2HB   LYS  84          1HB       LYS  84   5.857  -3.621 -10.752
  642   1HG   LYS  84          2HG       LYS  84   4.129  -4.945  -9.561
  643   2HG   LYS  84          1HG       LYS  84   5.132  -6.380  -9.789
  644   1HD   LYS  84          2HD       LYS  84   6.960  -5.273  -8.570
  645   2HD   LYS  84          1HD       LYS  84   5.928  -3.868  -8.316
  646   1HE   LYS  84          2HE       LYS  84   5.790  -5.081  -6.321
  647   2HE   LYS  84          1HE       LYS  84   4.304  -5.461  -7.185
  648   1HZ   LYS  84          1HZ       LYS  84   5.104  -7.484  -6.362
  649   2HZ   LYS  84          2HZ       LYS  84   6.696  -7.166  -6.824
  650   3HZ   LYS  84          3HZ       LYS  84   5.525  -7.511  -8.003
  651    H    VAL  85           H        VAL  85   2.798  -6.162 -11.728
  652    HA   VAL  85           HA       VAL  85   3.868  -8.805 -12.185
  653    HB   VAL  85           HB       VAL  85   1.031  -7.896 -11.664
  654   1HG1  VAL  85          1HG1      VAL  85   0.500 -10.231 -11.241
  655   2HG1  VAL  85          2HG1      VAL  85   2.144 -10.701 -11.672
  656   3HG1  VAL  85          3HG1      VAL  85   1.071 -10.018 -12.895
  657   1HG2  VAL  85          1HG2      VAL  85   1.398  -8.806  -9.425
  658   2HG2  VAL  85          2HG2      VAL  85   2.534  -7.507  -9.792
  659   3HG2  VAL  85          3HG2      VAL  85   3.065  -9.189  -9.854
  660    H    ARG  86           H        ARG  86   1.688  -6.588 -13.882
  661    HA   ARG  86           HA       ARG  86   1.049  -8.464 -15.942
  662   1HB   ARG  86          2HB       ARG  86  -0.257  -6.766 -16.899
  663   2HB   ARG  86          1HB       ARG  86  -0.355  -6.484 -15.174
  664   1HG   ARG  86          2HG       ARG  86   1.257  -4.686 -15.354
  665   2HG   ARG  86          1HG       ARG  86   1.417  -4.987 -17.087
  666   1HD   ARG  86          2HD       ARG  86  -1.045  -4.563 -17.294
  667   2HD   ARG  86          1HD       ARG  86  -1.035  -4.056 -15.605
  668    HE   ARG  86           HE       ARG  86   0.935  -2.633 -17.045
  669   1HH1  ARG  86          1HH1      ARG  86  -2.547  -2.858 -16.704
  670   2HH1  ARG  86          2HH1      ARG  86  -2.823  -1.206 -17.164
  671   1HH2  ARG  86          1HH2      ARG  86   0.564  -0.456 -17.620
  672   2HH2  ARG  86          2HH2      ARG  86  -1.056   0.169 -17.644
  673    H    LEU  87           H        LEU  87   3.575  -6.170 -15.428
  674    HA   LEU  87           HA       LEU  87   4.593  -5.972 -18.045
  675   1HB   LEU  87          2HB       LEU  87   5.228  -4.679 -15.908
  676   2HB   LEU  87          1HB       LEU  87   6.249  -6.049 -15.525
  677    HG   LEU  87           HG       LEU  87   6.550  -4.583 -18.123
  678   1HD1  LEU  87          1HD1      LEU  87   6.684  -2.918 -16.338
  679   2HD1  LEU  87          2HD1      LEU  87   8.260  -3.196 -17.078
  680   3HD1  LEU  87          3HD1      LEU  87   7.887  -3.904 -15.507
  681   1HD2  LEU  87          1HD2      LEU  87   8.471  -6.182 -16.432
  682   2HD2  LEU  87          2HD2      LEU  87   8.855  -5.400 -17.965
  683   3HD2  LEU  87          3HD2      LEU  87   7.696  -6.729 -17.919
  684    H    GLU  88           H        GLU  88   4.824  -8.360 -15.529
  685    HA   GLU  88           HA       GLU  88   6.819  -9.983 -16.760
  686   1HB   GLU  88          2HB       GLU  88   5.233 -10.010 -14.328
  687   2HB   GLU  88          1HB       GLU  88   5.473 -11.615 -15.015
  688   1HG   GLU  88          2HG       GLU  88   7.632  -9.627 -14.369
  689   2HG   GLU  88          1HG       GLU  88   7.224 -11.067 -13.450
  690    H    HIS  89           H        HIS  89   6.532 -12.010 -17.752
  691    HA   HIS  89           HA       HIS  89   3.944 -12.310 -19.063
  692   1HB   HIS  89          2HB       HIS  89   6.698 -13.047 -19.749
  693   2HB   HIS  89          1HB       HIS  89   5.504 -14.285 -20.130
  694    HD1  HIS  89           1HD      HIS  89   6.944 -12.842 -22.409
  695    HD2  HIS  89           2HD      HIS  89   3.312 -11.601 -20.808
  696    HE1  HIS  89           1HE      HIS  89   5.827 -11.490 -24.217
  697    HE2  HIS  89           2HE      HIS  89   3.555 -10.926 -23.291
  698    H    HIS  90           H        HIS  90   5.025 -13.193 -16.233
  699    HA   HIS  90           HA       HIS  90   3.959 -15.874 -16.158
  700   1HB   HIS  90          2HB       HIS  90   4.625 -13.850 -14.008
  701   2HB   HIS  90          1HB       HIS  90   3.859 -15.389 -13.638
  702    HD1  HIS  90           1HD      HIS  90   7.108 -13.983 -15.018
  703    HD2  HIS  90           2HD      HIS  90   5.566 -17.528 -13.463
  704    HE1  HIS  90           1HE      HIS  90   9.084 -15.495 -14.669
  705    HE2  HIS  90           2HE      HIS  90   8.151 -17.523 -13.515
  706    H    HIS  91           H        HIS  91   1.849 -16.268 -16.446
  707    HA   HIS  91           HA       HIS  91  -0.393 -15.949 -16.706
  708   1HB   HIS  91          2HB       HIS  91   0.069 -13.642 -14.810
  709   2HB   HIS  91          1HB       HIS  91  -1.501 -13.967 -15.530
  710    HD1  HIS  91           1HD      HIS  91   0.579 -14.810 -12.682
  711    HD2  HIS  91           2HD      HIS  91  -2.554 -16.590 -14.760
  712    HE1  HIS  91           1HE      HIS  91  -0.363 -16.551 -11.133
  713    HE2  HIS  91           2HE      HIS  91  -2.421 -17.404 -12.311
  714    H    HIS  92           H        HIS  92  -1.821 -13.543 -17.140
  715    HA   HIS  92           HA       HIS  92  -0.324 -12.385 -19.402
  716   1HB   HIS  92          2HB       HIS  92  -3.311 -12.830 -19.163
  717   2HB   HIS  92          1HB       HIS  92  -2.501 -12.039 -20.511
  718    HD1  HIS  92           1HD      HIS  92  -4.094 -15.010 -20.017
  719    HD2  HIS  92           2HD      HIS  92  -0.241 -14.139 -21.300
  720    HE1  HIS  92           1HE      HIS  92  -3.326 -17.047 -21.274
  721    HE2  HIS  92           2HE      HIS  92  -0.901 -16.590 -21.793
  722    H    HIS  93           H        HIS  93  -1.023 -10.134 -19.954
  723    HA   HIS  93           HA       HIS  93  -1.197  -8.584 -17.534
  724   1HB   HIS  93          2HB       HIS  93  -1.011  -6.605 -18.947
  725   2HB   HIS  93          1HB       HIS  93   0.205  -7.787 -19.400
  726    HD1  HIS  93           1HD      HIS  93   0.329  -8.394 -21.819
  727    HD2  HIS  93           2HD      HIS  93  -3.222  -6.451 -20.847
  728    HE1  HIS  93           1HE      HIS  93  -0.823  -7.937 -24.008
  729    HE2  HIS  93           2HE      HIS  93  -3.045  -6.923 -23.384
  730    H    HIS  94           H        HIS  94  -2.911  -7.495 -16.730
  731    HA   HIS  94           HA       HIS  94  -5.482  -7.979 -18.079
  732   1HB   HIS  94          2HB       HIS  94  -5.077  -9.302 -15.960
  733   2HB   HIS  94          1HB       HIS  94  -5.066  -7.772 -15.091
  734    HD1  HIS  94           1HD      HIS  94  -7.241  -7.212 -14.078
  735    HD2  HIS  94           2HD      HIS  94  -7.680  -9.558 -17.489
  736    HE1  HIS  94           1HE      HIS  94  -9.708  -7.650 -14.291
  737    HE2  HIS  94           2HE      HIS  94  -9.939  -9.185 -16.278
  Start of MODEL    9
    1   1H    MET   1          1HT       MET   1   0.006  18.886   7.587
    2   2H    MET   1          2HT       MET   1  -0.767  17.870   6.470
    3   3H    MET   1          3HT       MET   1  -0.914  19.554   6.330
    4    HA   MET   1           HA       MET   1   0.620  18.678   4.701
    5   1HB   MET   1          2HB       MET   1   1.773  20.384   6.903
    6   2HB   MET   1          1HB       MET   1   2.655  20.044   5.421
    7   1HG   MET   1          2HG       MET   1   1.579  22.195   5.281
    8   2HG   MET   1          1HG       MET   1   0.863  21.082   4.120
    9   1HE   MET   1          1HE       MET   1  -0.448  23.856   4.955
   10   2HE   MET   1          2HE       MET   1  -2.140  23.403   5.156
   11   3HE   MET   1          3HE       MET   1  -1.209  22.755   3.805
   12    H    TYR   2           H        TYR   2   1.483  16.770   4.344
   13    HA   TYR   2           HA       TYR   2   2.763  15.293   6.480
   14   1HB   TYR   2          2HB       TYR   2   1.205  14.433   4.530
   15   2HB   TYR   2          1HB       TYR   2   2.722  14.358   3.640
   16    HD1  TYR   2           2HD      TYR   2   0.900  13.062   6.571
   17    HD2  TYR   2           1HD      TYR   2   4.323  12.632   4.077
   18    HE1  TYR   2           2HE      TYR   2   1.370  10.883   7.605
   19    HE2  TYR   2           1HE      TYR   2   4.800  10.448   5.104
   20    HH   TYR   2           HH       TYR   2   2.571   8.807   7.062
   21    H    THR   3           H        THR   3   4.941  14.596   6.460
   22    HA   THR   3           HA       THR   3   6.678  16.291   4.801
   23    HB   THR   3           HB       THR   3   8.285  16.212   6.737
   24    HG1  THR   3           1HG      THR   3   7.523  15.518   8.713
   25   1HG2  THR   3          1HG2      THR   3   7.121  17.955   8.013
   26   2HG2  THR   3          2HG2      THR   3   5.599  17.501   7.247
   27   3HG2  THR   3          3HG2      THR   3   6.904  18.183   6.276
   28    H    ALA   4           H        ALA   4   8.817  15.491   4.403
   29    HA   ALA   4           HA       ALA   4   8.859  12.826   3.473
   30   1HB   ALA   4          1HB       ALA   4  10.144  14.618   2.436
   31   2HB   ALA   4          2HB       ALA   4  11.180  13.266   2.892
   32   3HB   ALA   4          3HB       ALA   4  11.158  14.731   3.874
   33    H    GLU   5           H        GLU   5   9.955  14.318   6.438
   34    HA   GLU   5           HA       GLU   5  11.595  12.272   7.413
   35   1HB   GLU   5          2HB       GLU   5  11.278  14.592   8.354
   36   2HB   GLU   5          1HB       GLU   5   9.763  14.036   9.041
   37   1HG   GLU   5          2HG       GLU   5  12.053  12.351   9.704
   38   2HG   GLU   5          1HG       GLU   5  12.175  14.008  10.288
   39    H    GLN   6           H        GLN   6   8.114  12.741   7.553
   40    HA   GLN   6           HA       GLN   6   7.527  10.530   9.200
   41   1HB   GLN   6          2HB       GLN   6   5.894  12.166   7.280
   42   2HB   GLN   6          1HB       GLN   6   5.203  10.792   8.134
   43   1HG   GLN   6          2HG       GLN   6   5.697  11.819  10.265
   44   2HG   GLN   6          1HG       GLN   6   6.502  13.164   9.461
   45   1HE2  GLN   6          1HE2      GLN   6   5.288  14.743   8.474
   46   2HE2  GLN   6          2HE2      GLN   6   3.577  14.902   8.730
   47    H    LYS   7           H        LYS   7   8.050  10.838   5.753
   48    HA   LYS   7           HA       LYS   7   7.077   8.380   4.856
   49   1HB   LYS   7          2HB       LYS   7   9.379  10.096   3.959
   50   2HB   LYS   7          1HB       LYS   7   9.048   8.557   3.182
   51   1HG   LYS   7          2HG       LYS   7   6.904   9.300   2.455
   52   2HG   LYS   7          1HG       LYS   7   7.030  10.774   3.417
   53   1HD   LYS   7          2HD       LYS   7   7.475  11.168   1.019
   54   2HD   LYS   7          1HD       LYS   7   8.854  11.566   2.041
   55   1HE   LYS   7          2HE       LYS   7   9.604  10.402   0.052
   56   2HE   LYS   7          1HE       LYS   7   9.879   9.404   1.477
   57   1HZ   LYS   7          1HZ       LYS   7   8.972   8.174  -0.438
   58   2HZ   LYS   7          2HZ       LYS   7   7.558   9.107  -0.356
   59   3HZ   LYS   7          3HZ       LYS   7   7.983   8.083   0.934
   60    H    ALA   8           H        ALA   8  10.128   9.210   6.424
   61    HA   ALA   8           HA       ALA   8  11.365   6.686   6.150
   62   1HB   ALA   8          1HB       ALA   8  12.878   7.446   7.915
   63   2HB   ALA   8          2HB       ALA   8  11.805   8.802   8.255
   64   3HB   ALA   8          3HB       ALA   8  12.631   8.701   6.700
   65    H    ARG   9           H        ARG   9   9.191   8.062   8.553
   66    HA   ARG   9           HA       ARG   9   9.418   6.018  10.477
   67   1HB   ARG   9          2HB       ARG   9   7.004   7.746   9.899
   68   2HB   ARG   9          1HB       ARG   9   7.303   6.842  11.377
   69   1HG   ARG   9          2HG       ARG   9   9.320   8.222  11.764
   70   2HG   ARG   9          1HG       ARG   9   8.899   9.175  10.340
   71   1HD   ARG   9          2HD       ARG   9   6.717   9.694  11.421
   72   2HD   ARG   9          1HD       ARG   9   7.290   8.874  12.873
   73    HE   ARG   9           HE       ARG   9   8.765  11.174  11.749
   74   1HH1  ARG   9          1HH1      ARG   9   7.026   9.664  14.414
   75   2HH1  ARG   9          2HH1      ARG   9   7.447  10.918  15.543
   76   1HH2  ARG   9          1HH2      ARG   9   9.343  12.777  13.250
   77   2HH2  ARG   9          2HH2      ARG   9   8.769  12.668  14.895
   78    H    ILE  10           H        ILE  10   7.465   6.338   7.580
   79    HA   ILE  10           HA       ILE  10   5.933   3.963   7.974
   80    HB   ILE  10           HB       ILE  10   6.604   5.431   5.414
   81   1HG1  ILE  10          2HG1      ILE  10   4.138   5.537   7.169
   82   2HG1  ILE  10          1HG1      ILE  10   5.356   6.797   7.043
   83   1HG2  ILE  10          1HG2      ILE  10   4.496   3.340   5.946
   84   2HG2  ILE  10          2HG2      ILE  10   5.954   3.123   4.977
   85   3HG2  ILE  10          3HG2      ILE  10   4.698   4.241   4.444
   86   1HD1  ILE  10          1HD1      ILE  10   3.357   7.320   5.753
   87   2HD1  ILE  10          2HD1      ILE  10   3.592   5.855   4.800
   88   3HD1  ILE  10          3HD1      ILE  10   4.776   7.160   4.717
   89    H    LYS  11           H        LYS  11   8.898   4.755   6.227
   90    HA   LYS  11           HA       LYS  11   9.376   2.310   4.982
   91   1HB   LYS  11          2HB       LYS  11  10.600   4.381   4.488
   92   2HB   LYS  11          1HB       LYS  11  11.378   4.302   6.062
   93   1HG   LYS  11          2HG       LYS  11  12.477   2.212   5.406
   94   2HG   LYS  11          1HG       LYS  11  11.708   2.320   3.818
   95   1HD   LYS  11          2HD       LYS  11  12.828   4.459   3.425
   96   2HD   LYS  11          1HD       LYS  11  13.608   4.340   5.004
   97   1HE   LYS  11          2HE       LYS  11  14.752   2.308   4.292
   98   2HE   LYS  11          1HE       LYS  11  13.952   2.396   2.722
   99   1HZ   LYS  11          1HZ       LYS  11  15.859   4.384   3.828
  100   2HZ   LYS  11          2HZ       LYS  11  15.043   4.537   2.352
  101   3HZ   LYS  11          3HZ       LYS  11  16.168   3.287   2.570
  102    H    TRP  12           H        TRP  12  10.205   3.388   8.244
  103    HA   TRP  12           HA       TRP  12  11.703   1.071   8.938
  104   1HB   TRP  12          2HB       TRP  12  10.416   3.278  10.524
  105   2HB   TRP  12          1HB       TRP  12  11.163   1.903  11.328
  106    HD1  TRP  12           HD       TRP  12  12.459   4.043   8.340
  107    HE1  TRP  12           1HE      TRP  12  14.814   4.884   8.947
  108    HE3  TRP  12           3HE      TRP  12  12.822   2.125  13.065
  109    HZ2  TRP  12           2HZ      TRP  12  16.585   4.762  11.133
  110    HZ3  TRP  12           3HZ      TRP  12  14.880   2.537  14.350
  111    HH2  TRP  12           HH       TRP  12  16.722   3.829  13.401
  112    H    ALA  13           H        ALA  13   8.338   1.702   8.714
  113    HA   ALA  13           HA       ALA  13   7.719  -0.642  10.394
  114   1HB   ALA  13          1HB       ALA  13   5.963   1.715   9.718
  115   2HB   ALA  13          2HB       ALA  13   6.802   1.461  11.248
  116   3HB   ALA  13          3HB       ALA  13   5.519   0.358  10.750
  117    H    CYS  14           H        CYS  14   8.389  -0.440   7.426
  118    HA   CYS  14           HA       CYS  14   6.032  -1.066   5.981
  119   1HB   CYS  14          2HB       CYS  14   7.566  -1.880   4.224
  120   2HB   CYS  14          1HB       CYS  14   8.041  -0.299   4.835
  121    HG   CYS  14           HG       CYS  14  10.083  -2.496   4.276
  122    H    ARG  15           H        ARG  15   8.176  -2.894   7.961
  123    HA   ARG  15           HA       ARG  15   7.914  -4.882   9.006
  124   1HB   ARG  15          2HB       ARG  15   5.343  -5.080   7.441
  125   2HB   ARG  15          1HB       ARG  15   5.865  -6.254   8.639
  126   1HG   ARG  15          2HG       ARG  15   5.859  -4.458  10.339
  127   2HG   ARG  15          1HG       ARG  15   5.213  -3.358   9.119
  128   1HD   ARG  15          2HD       ARG  15   3.273  -4.843   8.832
  129   2HD   ARG  15          1HD       ARG  15   3.912  -5.896  10.094
  130    HE   ARG  15           HE       ARG  15   3.405  -3.090  10.754
  131   1HH1  ARG  15          1HH1      ARG  15   2.474  -6.462  11.034
  132   2HH1  ARG  15          2HH1      ARG  15   1.407  -6.179  12.376
  133   1HH2  ARG  15          1HH2      ARG  15   2.009  -2.730  12.521
  134   2HH2  ARG  15          2HH2      ARG  15   1.152  -4.065  13.225
  135    H    ARG  16           H        ARG  16   8.907  -6.699   8.708
  136    HA   ARG  16           HA       ARG  16   9.835  -7.516   6.144
  137   1HB   ARG  16          2HB       ARG  16  10.646  -9.544   7.500
  138   2HB   ARG  16          1HB       ARG  16  11.292  -7.965   7.929
  139   1HG   ARG  16          2HG       ARG  16   9.728  -7.811   9.784
  140   2HG   ARG  16          1HG       ARG  16   9.032  -9.371   9.340
  141   1HD   ARG  16          2HD       ARG  16  11.953  -9.080   9.948
  142   2HD   ARG  16          1HD       ARG  16  10.767  -9.289  11.236
  143    HE   ARG  16           HE       ARG  16  10.356 -11.287   9.302
  144   1HH1  ARG  16          1HH1      ARG  16  12.759 -10.320  11.657
  145   2HH1  ARG  16          2HH1      ARG  16  13.275 -11.948  11.992
  146   1HH2  ARG  16          1HH2      ARG  16  11.028 -13.431   9.741
  147   2HH2  ARG  16          2HH2      ARG  16  12.260 -13.718  10.932
  148    H    GLY  17           H        GLY  17   7.081  -8.310   8.076
  149   1HA   GLY  17          2HA       GLY  17   6.450 -10.818   6.896
  150   2HA   GLY  17          1HA       GLY  17   5.331  -9.768   7.752
  151    H    MET  18           H        MET  18   6.117  -7.571   5.800
  152    HA   MET  18           HA       MET  18   4.324  -8.414   3.635
  153   1HB   MET  18          2HB       MET  18   5.145  -5.692   4.652
  154   2HB   MET  18          1HB       MET  18   4.314  -5.912   3.123
  155   1HG   MET  18          2HG       MET  18   2.721  -5.305   4.799
  156   2HG   MET  18          1HG       MET  18   2.443  -6.975   4.319
  157   1HE   MET  18          1HE       MET  18   1.436  -6.923   8.117
  158   2HE   MET  18          2HE       MET  18   0.908  -7.338   6.486
  159   3HE   MET  18          3HE       MET  18   1.190  -5.652   6.920
  160    H    LEU  19           H        LEU  19   6.107  -9.682   2.764
  161    HA   LEU  19           HA       LEU  19   8.599  -8.548   2.092
  162   1HB   LEU  19          2HB       LEU  19   7.539 -11.078   2.212
  163   2HB   LEU  19          1HB       LEU  19   7.761 -10.846   0.488
  164    HG   LEU  19           HG       LEU  19   9.942 -10.461   2.528
  165   1HD1  LEU  19          1HD1      LEU  19  10.804 -12.616   1.764
  166   2HD1  LEU  19          2HD1      LEU  19   9.373 -12.828   0.754
  167   3HD1  LEU  19          3HD1      LEU  19   9.214 -12.781   2.509
  168   1HD2  LEU  19          1HD2      LEU  19  10.292  -9.215   0.466
  169   2HD2  LEU  19          2HD2      LEU  19  10.009 -10.677  -0.481
  170   3HD2  LEU  19          3HD2      LEU  19  11.419 -10.567   0.573
  171    H    GLU  20           H        GLU  20   5.882  -9.503  -0.040
  172    HA   GLU  20           HA       GLU  20   7.083  -8.308  -2.335
  173   1HB   GLU  20          2HB       GLU  20   4.309  -9.339  -1.791
  174   2HB   GLU  20          1HB       GLU  20   4.743  -8.600  -3.324
  175   1HG   GLU  20          2HG       GLU  20   4.914 -10.908  -3.654
  176   2HG   GLU  20          1HG       GLU  20   6.570 -10.335  -3.496
  177    H    LEU  21           H        LEU  21   4.907  -7.206   0.137
  178    HA   LEU  21           HA       LEU  21   3.836  -4.982  -1.265
  179   1HB   LEU  21          2HB       LEU  21   3.194  -6.232   1.027
  180   2HB   LEU  21          1HB       LEU  21   4.082  -4.873   1.684
  181    HG   LEU  21           HG       LEU  21   2.536  -3.363   0.368
  182   1HD1  LEU  21          1HD1      LEU  21   0.421  -4.277  -0.375
  183   2HD1  LEU  21          2HD1      LEU  21   0.917  -5.895   0.119
  184   3HD1  LEU  21          3HD1      LEU  21   1.750  -5.084  -1.210
  185   1HD2  LEU  21          1HD2      LEU  21   2.310  -3.697   2.773
  186   2HD2  LEU  21          2HD2      LEU  21   1.320  -5.129   2.489
  187   3HD2  LEU  21          3HD2      LEU  21   0.730  -3.539   2.004
  188    H    ASP  22           H        ASP  22   6.607  -5.454   0.853
  189    HA   ASP  22           HA       ASP  22   7.414  -2.875   1.389
  190   1HB   ASP  22          2HB       ASP  22   8.492  -4.823   2.365
  191   2HB   ASP  22          1HB       ASP  22   9.104  -5.311   0.792
  192    H    VAL  23           H        VAL  23   7.880  -4.737  -1.545
  193    HA   VAL  23           HA       VAL  23   9.792  -2.992  -2.721
  194    HB   VAL  23           HB       VAL  23   8.014  -5.037  -4.061
  195   1HG1  VAL  23          1HG1      VAL  23   9.727  -5.055  -5.817
  196   2HG1  VAL  23          2HG1      VAL  23  10.581  -3.753  -4.988
  197   3HG1  VAL  23          3HG1      VAL  23   8.974  -3.468  -5.655
  198   1HG2  VAL  23          1HG2      VAL  23   9.355  -6.031  -2.279
  199   2HG2  VAL  23          2HG2      VAL  23  10.813  -5.315  -2.967
  200   3HG2  VAL  23          3HG2      VAL  23   9.930  -6.550  -3.863
  201    H    VAL  24           H        VAL  24   6.269  -3.199  -2.847
  202    HA   VAL  24           HA       VAL  24   6.207  -1.323  -5.074
  203    HB   VAL  24           HB       VAL  24   3.787  -1.708  -5.150
  204   1HG1  VAL  24          1HG1      VAL  24   5.459  -4.213  -5.080
  205   2HG1  VAL  24          2HG1      VAL  24   5.244  -3.127  -6.453
  206   3HG1  VAL  24          3HG1      VAL  24   3.878  -4.064  -5.847
  207   1HG2  VAL  24          1HG2      VAL  24   4.268  -3.620  -2.863
  208   2HG2  VAL  24          2HG2      VAL  24   2.761  -3.449  -3.763
  209   3HG2  VAL  24          3HG2      VAL  24   3.359  -2.109  -2.783
  210    H    ILE  25           H        ILE  25   5.642  -1.331  -1.639
  211    HA   ILE  25           HA       ILE  25   3.833   0.795  -1.448
  212    HB   ILE  25           HB       ILE  25   5.929  -0.144   0.508
  213   1HG1  ILE  25          2HG1      ILE  25   2.920  -0.466   0.437
  214   2HG1  ILE  25          1HG1      ILE  25   4.093  -1.714   0.022
  215   1HG2  ILE  25          1HG2      ILE  25   4.749   1.185   2.215
  216   2HG2  ILE  25          2HG2      ILE  25   3.755   1.903   0.947
  217   3HG2  ILE  25          3HG2      ILE  25   5.494   2.195   0.977
  218   1HD1  ILE  25          1HD1      ILE  25   4.922  -1.688   2.317
  219   2HD1  ILE  25          2HD1      ILE  25   3.197  -2.046   2.252
  220   3HD1  ILE  25          3HD1      ILE  25   3.747  -0.439   2.728
  221    H    MET  26           H        MET  26   7.366   0.857  -1.650
  222    HA   MET  26           HA       MET  26   7.754   3.453  -0.730
  223   1HB   MET  26          2HB       MET  26   9.517   1.692  -1.079
  224   2HB   MET  26          1HB       MET  26   9.486   2.095  -2.791
  225   1HG   MET  26          2HG       MET  26  11.323   3.213  -1.703
  226   2HG   MET  26          1HG       MET  26  10.133   4.395  -2.247
  227   1HE   MET  26          1HE       MET  26   9.869   2.019   0.873
  228   2HE   MET  26          2HE       MET  26  10.542   3.037   2.148
  229   3HE   MET  26          3HE       MET  26  11.582   2.446   0.853
  230    HA   PRO  27           HA       PRO  27   7.484   5.207  -5.169
  231   1HB   PRO  27          2HB       PRO  27   6.540   3.162  -6.998
  232   2HB   PRO  27          1HB       PRO  27   8.047   4.081  -7.050
  233   1HG   PRO  27          2HG       PRO  27   7.939   1.406  -6.535
  234   2HG   PRO  27          1HG       PRO  27   9.216   2.469  -5.917
  235   1HD   PRO  27          2HD       PRO  27   6.774   1.425  -4.522
  236   2HD   PRO  27          1HD       PRO  27   8.438   1.588  -3.915
  237    H    PHE  28           H        PHE  28   5.082   2.709  -4.438
  238    HA   PHE  28           HA       PHE  28   2.943   3.959  -5.821
  239   1HB   PHE  28          2HB       PHE  28   3.043   1.851  -3.676
  240   2HB   PHE  28          1HB       PHE  28   1.510   2.506  -4.234
  241    HD1  PHE  28           1HD      PHE  28   4.312   2.089  -6.556
  242    HD2  PHE  28           2HD      PHE  28   0.756   0.350  -5.001
  243    HE1  PHE  28           1HE      PHE  28   4.308   0.459  -8.398
  244    HE2  PHE  28           2HE      PHE  28   0.746  -1.282  -6.838
  245    HZ   PHE  28           HZ       PHE  28   2.522  -1.234  -8.539
  246    H    PHE  29           H        PHE  29   4.144   4.167  -2.510
  247    HA   PHE  29           HA       PHE  29   2.073   5.633  -1.364
  248   1HB   PHE  29          2HB       PHE  29   3.910   4.748  -0.024
  249   2HB   PHE  29          1HB       PHE  29   5.047   5.827  -0.827
  250    HD1  PHE  29           2HD      PHE  29   1.960   5.869   1.247
  251    HD2  PHE  29           1HD      PHE  29   5.519   7.897   0.095
  252    HE1  PHE  29           2HE      PHE  29   1.526   7.594   2.952
  253    HE2  PHE  29           1HE      PHE  29   5.089   9.626   1.788
  254    HZ   PHE  29           HZ       PHE  29   3.093   9.477   3.219
  255    H    GLU  30           H        GLU  30   4.899   6.741  -3.166
  256    HA   GLU  30           HA       GLU  30   4.515   9.488  -2.985
  257   1HB   GLU  30          2HB       GLU  30   5.631   7.852  -5.264
  258   2HB   GLU  30          1HB       GLU  30   5.864   9.568  -5.042
  259   1HG   GLU  30          2HG       GLU  30   6.708   7.533  -3.071
  260   2HG   GLU  30          1HG       GLU  30   7.752   8.169  -4.324
  261    H    GLU  31           H        GLU  31   3.261   7.164  -5.333
  262    HA   GLU  31           HA       GLU  31   1.964   9.146  -6.918
  263   1HB   GLU  31          2HB       GLU  31   1.470   6.169  -6.868
  264   2HB   GLU  31          1HB       GLU  31   0.998   7.285  -8.143
  265   1HG   GLU  31          2HG       GLU  31   3.444   7.814  -8.420
  266   2HG   GLU  31          1HG       GLU  31   3.769   6.449  -7.353
  267    H    CYS  32           H        CYS  32   0.876   7.024  -4.291
  268    HA   CYS  32           HA       CYS  32  -1.870   7.780  -4.628
  269   1HB   CYS  32          2HB       CYS  32  -2.306   6.582  -2.569
  270   2HB   CYS  32          1HB       CYS  32  -1.230   5.630  -3.581
  271    HG   CYS  32           HG       CYS  32   0.795   7.275  -1.741
  272    H    PHE  33           H        PHE  33   0.829   8.912  -2.708
  273    HA   PHE  33           HA       PHE  33  -0.555  10.658  -0.998
  274   1HB   PHE  33          2HB       PHE  33   1.703  10.171  -0.458
  275   2HB   PHE  33          1HB       PHE  33   2.270  10.607  -2.062
  276    HD1  PHE  33           2HD      PHE  33   0.951  11.983   1.112
  277    HD2  PHE  33           1HD      PHE  33   2.959  12.802  -2.552
  278    HE1  PHE  33           2HE      PHE  33   1.528  14.229   1.933
  279    HE2  PHE  33           1HE      PHE  33   3.537  15.050  -1.735
  280    HZ   PHE  33           HZ       PHE  33   2.821  15.767   0.509
  281    H    ASP  34           H        ASP  34   0.648  11.008  -4.260
  282    HA   ASP  34           HA       ASP  34   0.265  13.772  -4.563
  283   1HB   ASP  34          2HB       ASP  34   1.588  12.470  -6.136
  284   2HB   ASP  34          1HB       ASP  34   0.164  11.552  -6.616
  285    H    SER  35           H        SER  35  -1.971  11.118  -4.606
  286    HA   SER  35           HA       SER  35  -4.053  12.776  -5.817
  287   1HB   SER  35          2HB       SER  35  -3.672  10.467  -6.681
  288   2HB   SER  35          1HB       SER  35  -4.139   9.833  -5.103
  289    HG   SER  35           HG       SER  35  -5.694  10.860  -7.145
  290    H    LEU  36           H        LEU  36  -3.395  10.914  -2.861
  291    HA   LEU  36           HA       LEU  36  -5.947  11.493  -1.689
  292   1HB   LEU  36          2HB       LEU  36  -3.452  10.530  -0.295
  293   2HB   LEU  36          1HB       LEU  36  -5.098  10.403   0.288
  294    HG   LEU  36           HG       LEU  36  -3.916   8.926  -2.060
  295   1HD1  LEU  36          1HD1      LEU  36  -3.160   8.082   0.084
  296   2HD1  LEU  36          2HD1      LEU  36  -4.280   6.947  -0.669
  297   3HD1  LEU  36          3HD1      LEU  36  -4.826   7.980   0.652
  298   1HD2  LEU  36          1HD2      LEU  36  -6.700   8.808  -0.898
  299   2HD2  LEU  36          2HD2      LEU  36  -6.061   7.739  -2.147
  300   3HD2  LEU  36          3HD2      LEU  36  -6.258   9.462  -2.475
  301    H    THR  37           H        THR  37  -6.455  12.992  -0.111
  302    HA   THR  37           HA       THR  37  -4.456  15.068   0.385
  303    HB   THR  37           HB       THR  37  -6.690  15.895   1.741
  304    HG1  THR  37           1HG      THR  37  -7.881  14.090   0.856
  305   1HG2  THR  37          1HG2      THR  37  -6.080  16.383  -1.179
  306   2HG2  THR  37          2HG2      THR  37  -5.333  17.222   0.181
  307   3HG2  THR  37          3HG2      THR  37  -7.057  17.411  -0.130
  308    H    GLU  38           H        GLU  38  -4.922  15.999   2.837
  309    HA   GLU  38           HA       GLU  38  -3.489  14.275   4.456
  310   1HB   GLU  38          2HB       GLU  38  -5.293  16.567   5.230
  311   2HB   GLU  38          1HB       GLU  38  -4.183  15.769   6.336
  312   1HG   GLU  38          2HG       GLU  38  -3.394  17.202   3.810
  313   2HG   GLU  38          1HG       GLU  38  -3.283  17.862   5.440
  314    H    SER  39           H        SER  39  -6.995  14.802   4.364
  315    HA   SER  39           HA       SER  39  -7.719  13.270   6.559
  316   1HB   SER  39          2HB       SER  39  -9.281  13.567   3.984
  317   2HB   SER  39          1HB       SER  39  -9.927  13.245   5.590
  318    HG   SER  39           HG       SER  39 -10.181  15.391   5.345
  319    H    GLU  40           H        GLU  40  -7.524  12.287   3.139
  320    HA   GLU  40           HA       GLU  40  -8.183   9.573   3.637
  321   1HB   GLU  40          2HB       GLU  40  -6.900  10.931   1.267
  322   2HB   GLU  40          1HB       GLU  40  -7.325   9.232   1.283
  323   1HG   GLU  40          2HG       GLU  40  -9.061  10.356   0.154
  324   2HG   GLU  40          1HG       GLU  40  -9.695   9.933   1.742
  325    H    GLN  41           H        GLN  41  -5.124  11.284   3.200
  326    HA   GLN  41           HA       GLN  41  -3.448   9.077   3.064
  327   1HB   GLN  41          2HB       GLN  41  -3.097  11.669   2.693
  328   2HB   GLN  41          1HB       GLN  41  -2.555  11.600   4.366
  329   1HG   GLN  41          2HG       GLN  41  -1.118   9.661   3.592
  330   2HG   GLN  41          1HG       GLN  41  -1.426  10.254   1.968
  331   1HE2  GLN  41          1HE2      GLN  41  -1.560  13.034   2.952
  332   2HE2  GLN  41          2HE2      GLN  41   0.078  13.510   3.205
  333    H    ASP  42           H        ASP  42  -4.638  10.958   5.809
  334    HA   ASP  42           HA       ASP  42  -3.003   9.786   7.784
  335   1HB   ASP  42          2HB       ASP  42  -4.270  11.872   8.133
  336   2HB   ASP  42          1HB       ASP  42  -5.775  10.964   8.080
  337    H    ASP  43           H        ASP  43  -6.181   8.964   6.543
  338    HA   ASP  43           HA       ASP  43  -6.815   6.824   8.239
  339   1HB   ASP  43          2HB       ASP  43  -8.325   7.985   6.582
  340   2HB   ASP  43          1HB       ASP  43  -7.517   7.081   5.309
  341    H    PHE  44           H        PHE  44  -5.046   6.933   5.180
  342    HA   PHE  44           HA       PHE  44  -4.508   4.177   4.957
  343   1HB   PHE  44          2HB       PHE  44  -4.277   5.563   3.028
  344   2HB   PHE  44          1HB       PHE  44  -3.141   6.627   3.844
  345    HD1  PHE  44           1HD      PHE  44  -3.510   3.100   2.710
  346    HD2  PHE  44           2HD      PHE  44  -0.884   6.349   3.507
  347    HE1  PHE  44           1HE      PHE  44  -1.643   1.812   1.764
  348    HE2  PHE  44           2HE      PHE  44   0.992   5.068   2.558
  349    HZ   PHE  44           HZ       PHE  44   0.614   2.796   1.685
  350    H    VAL  45           H        VAL  45  -2.539   6.838   6.285
  351    HA   VAL  45           HA       VAL  45  -0.317   5.233   6.958
  352    HB   VAL  45           HB       VAL  45  -1.185   7.867   8.163
  353   1HG1  VAL  45          1HG1      VAL  45   1.494   6.482   8.273
  354   2HG1  VAL  45          2HG1      VAL  45   0.376   6.679   9.621
  355   3HG1  VAL  45          3HG1      VAL  45   1.138   8.094   8.897
  356   1HG2  VAL  45          1HG2      VAL  45   0.742   7.235   5.929
  357   2HG2  VAL  45          2HG2      VAL  45   0.510   8.829   6.647
  358   3HG2  VAL  45          3HG2      VAL  45  -0.814   8.051   5.778
  359    H    ALA  46           H        ALA  46  -3.195   6.180   8.787
  360    HA   ALA  46           HA       ALA  46  -2.422   5.197  11.298
  361   1HB   ALA  46          1HB       ALA  46  -4.769   5.228  11.866
  362   2HB   ALA  46          2HB       ALA  46  -5.212   5.297  10.162
  363   3HB   ALA  46          3HB       ALA  46  -4.376   6.658  10.911
  364    H    LEU  47           H        LEU  47  -3.909   3.602   8.525
  365    HA   LEU  47           HA       LEU  47  -4.352   1.111   9.794
  366   1HB   LEU  47          2HB       LEU  47  -5.423   1.846   7.666
  367   2HB   LEU  47          1HB       LEU  47  -3.883   1.624   6.857
  368    HG   LEU  47           HG       LEU  47  -3.937  -0.776   7.416
  369   1HD1  LEU  47          1HD1      LEU  47  -5.986  -1.769   8.303
  370   2HD1  LEU  47          2HD1      LEU  47  -6.667  -0.158   8.533
  371   3HD1  LEU  47          3HD1      LEU  47  -5.251  -0.657   9.459
  372   1HD2  LEU  47          1HD2      LEU  47  -6.406   0.230   6.012
  373   2HD2  LEU  47          2HD2      LEU  47  -5.748  -1.402   5.896
  374   3HD2  LEU  47          3HD2      LEU  47  -4.823  -0.032   5.281
  375    H    LEU  48           H        LEU  48  -1.581   2.511   8.160
  376    HA   LEU  48           HA       LEU  48  -0.120   0.188   7.639
  377   1HB   LEU  48          2HB       LEU  48   0.850   2.977   8.229
  378   2HB   LEU  48          1HB       LEU  48   1.871   1.688   7.626
  379    HG   LEU  48           HG       LEU  48  -0.485   2.901   6.179
  380   1HD1  LEU  48          1HD1      LEU  48   2.480   3.088   5.666
  381   2HD1  LEU  48          2HD1      LEU  48   1.448   4.379   6.281
  382   3HD1  LEU  48          3HD1      LEU  48   1.209   3.762   4.645
  383   1HD2  LEU  48          1HD2      LEU  48   0.220   1.526   4.287
  384   2HD2  LEU  48          2HD2      LEU  48  -0.243   0.526   5.664
  385   3HD2  LEU  48          3HD2      LEU  48   1.462   0.775   5.289
  386    H    GLU  49           H        GLU  49  -0.442   2.018  10.625
  387    HA   GLU  49           HA       GLU  49   1.779   0.685  11.874
  388   1HB   GLU  49          2HB       GLU  49  -0.389   2.443  13.012
  389   2HB   GLU  49          1HB       GLU  49   0.927   1.774  13.967
  390   1HG   GLU  49          2HG       GLU  49   2.487   2.913  12.301
  391   2HG   GLU  49          1HG       GLU  49   1.062   3.794  11.753
  392    H    SER  50           H        SER  50  -1.420  -0.134  11.237
  393    HA   SER  50           HA       SER  50  -1.549  -2.079  13.417
  394   1HB   SER  50          2HB       SER  50  -3.558  -0.674  12.886
  395   2HB   SER  50          1HB       SER  50  -3.618  -1.427  11.294
  396    HG   SER  50           HG       SER  50  -5.013  -2.548  12.585
  397    H    ASP  51           H        ASP  51  -2.720  -4.218  12.433
  398    HA   ASP  51           HA       ASP  51  -1.012  -5.105  10.212
  399   1HB   ASP  51          2HB       ASP  51  -0.692  -6.225  12.482
  400   2HB   ASP  51          1HB       ASP  51  -2.305  -6.895  12.277
  401    H    ASP  52           H        ASP  52  -2.139  -5.268   8.366
  402    HA   ASP  52           HA       ASP  52  -4.973  -5.992   8.548
  403   1HB   ASP  52          2HB       ASP  52  -4.172  -3.567   7.777
  404   2HB   ASP  52          1HB       ASP  52  -4.166  -4.402   6.223
  405    HA   PRO  53           HA       PRO  53  -3.307  -9.350   6.006
  406   1HB   PRO  53          2HB       PRO  53  -5.505 -10.791   7.314
  407   2HB   PRO  53          1HB       PRO  53  -3.790 -11.203   7.235
  408   1HG   PRO  53          2HG       PRO  53  -4.963 -10.386   9.517
  409   2HG   PRO  53          1HG       PRO  53  -3.277  -9.995   9.127
  410   1HD   PRO  53          2HD       PRO  53  -5.724  -8.282   8.898
  411   2HD   PRO  53          1HD       PRO  53  -4.097  -7.852   9.470
  412    H    ASP  54           H        ASP  54  -6.482  -8.079   6.744
  413    HA   ASP  54           HA       ASP  54  -7.879  -9.085   4.504
  414   1HB   ASP  54          2HB       ASP  54  -8.335  -6.492   6.011
  415   2HB   ASP  54          1HB       ASP  54  -9.481  -7.260   4.918
  416    H    LEU  55           H        LEU  55  -5.946  -6.217   5.078
  417    HA   LEU  55           HA       LEU  55  -6.242  -4.878   2.659
  418   1HB   LEU  55          2HB       LEU  55  -4.920  -4.401   4.902
  419   2HB   LEU  55          1HB       LEU  55  -3.576  -5.076   4.019
  420    HG   LEU  55           HG       LEU  55  -5.139  -2.587   3.383
  421   1HD1  LEU  55          1HD1      LEU  55  -3.490  -2.337   5.127
  422   2HD1  LEU  55          2HD1      LEU  55  -2.968  -1.494   3.667
  423   3HD1  LEU  55          3HD1      LEU  55  -2.253  -3.049   4.089
  424   1HD2  LEU  55          1HD2      LEU  55  -4.644  -3.710   1.275
  425   2HD2  LEU  55          2HD2      LEU  55  -2.951  -3.869   1.746
  426   3HD2  LEU  55          3HD2      LEU  55  -3.643  -2.271   1.463
  427    H    PHE  56           H        PHE  56  -3.834  -7.301   3.639
  428    HA   PHE  56           HA       PHE  56  -2.640  -7.607   1.089
  429   1HB   PHE  56          2HB       PHE  56  -1.638  -8.383   3.238
  430   2HB   PHE  56          1HB       PHE  56  -2.834  -9.671   3.296
  431    HD1  PHE  56           2HD      PHE  56  -0.103  -8.306   1.182
  432    HD2  PHE  56           1HD      PHE  56  -2.389 -11.718   2.295
  433    HE1  PHE  56           2HE      PHE  56   1.386  -9.732  -0.155
  434    HE2  PHE  56           1HE      PHE  56  -0.897 -13.154   0.960
  435    HZ   PHE  56           HZ       PHE  56   0.992 -12.159  -0.268
  436    H    ALA  57           H        ALA  57  -5.417  -9.082   2.604
  437    HA   ALA  57           HA       ALA  57  -5.888 -11.166   0.776
  438   1HB   ALA  57          1HB       ALA  57  -6.935 -11.064   2.975
  439   2HB   ALA  57          2HB       ALA  57  -8.140 -11.219   1.695
  440   3HB   ALA  57          3HB       ALA  57  -7.871  -9.657   2.469
  441    H    TRP  58           H        TRP  58  -6.988  -7.785   0.795
  442    HA   TRP  58           HA       TRP  58  -8.659  -7.997  -1.473
  443   1HB   TRP  58          2HB       TRP  58  -7.292  -5.689  -0.132
  444   2HB   TRP  58          1HB       TRP  58  -8.130  -5.455  -1.662
  445    HD1  TRP  58           HD       TRP  58  -9.018  -7.089   1.754
  446    HE1  TRP  58           1HE      TRP  58 -11.426  -6.423   2.337
  447    HE3  TRP  58           3HE      TRP  58 -10.131  -4.302  -2.402
  448    HZ2  TRP  58           2HZ      TRP  58 -13.523  -4.928   1.199
  449    HZ3  TRP  58           3HZ      TRP  58 -12.377  -3.289  -2.567
  450    HH2  TRP  58           HH       TRP  58 -14.030  -3.601  -0.801
  451    H    VAL  59           H        VAL  59  -5.227  -7.318  -1.107
  452    HA   VAL  59           HA       VAL  59  -4.706  -6.768  -3.833
  453    HB   VAL  59           HB       VAL  59  -2.829  -7.920  -1.758
  454   1HG1  VAL  59          1HG1      VAL  59  -2.015  -8.205  -4.049
  455   2HG1  VAL  59          2HG1      VAL  59  -1.041  -7.041  -3.151
  456   3HG1  VAL  59          3HG1      VAL  59  -2.221  -6.477  -4.335
  457   1HG2  VAL  59          1HG2      VAL  59  -2.122  -5.623  -1.376
  458   2HG2  VAL  59          2HG2      VAL  59  -3.851  -5.792  -1.069
  459   3HG2  VAL  59          3HG2      VAL  59  -3.290  -5.048  -2.566
  460    H    MET  60           H        MET  60  -4.710  -9.779  -1.947
  461    HA   MET  60           HA       MET  60  -3.946 -11.424  -4.167
  462   1HB   MET  60          2HB       MET  60  -5.100 -12.034  -1.452
  463   2HB   MET  60          1HB       MET  60  -4.797 -13.293  -2.642
  464   1HG   MET  60          2HG       MET  60  -2.705 -11.408  -1.584
  465   2HG   MET  60          1HG       MET  60  -2.999 -13.032  -0.965
  466   1HE   MET  60          1HE       MET  60  -2.604 -15.250  -2.366
  467   2HE   MET  60          2HE       MET  60  -2.081 -15.266  -4.050
  468   3HE   MET  60          3HE       MET  60  -3.674 -14.640  -3.628
  469    H    GLY  61           H        GLY  61  -6.914 -10.069  -3.073
  470   1HA   GLY  61          2HA       GLY  61  -8.871  -9.952  -4.361
  471   2HA   GLY  61          1HA       GLY  61  -8.291 -11.298  -5.331
  472    H    HIS  62           H        HIS  62  -8.285 -11.468  -1.842
  473    HA   HIS  62           HA       HIS  62 -10.791 -12.972  -1.801
  474   1HB   HIS  62          2HB       HIS  62  -8.143 -14.144  -0.933
  475   2HB   HIS  62          1HB       HIS  62  -9.701 -14.826  -0.499
  476    HD1  HIS  62           1HD      HIS  62 -11.233 -15.351  -2.824
  477    HD2  HIS  62           2HD      HIS  62  -7.078 -15.319  -3.088
  478    HE1  HIS  62           1HE      HIS  62 -10.666 -16.689  -4.882
  479    HE2  HIS  62           2HE      HIS  62  -8.144 -16.737  -4.967
  480    H    GLY  63           H        GLY  63 -11.327 -10.969  -0.567
  481   1HA   GLY  63          2HA       GLY  63 -11.300 -11.492   2.196
  482   2HA   GLY  63          1HA       GLY  63 -10.051 -10.309   1.841
  483    H    ARG  64           H        ARG  64 -12.155  -9.739   3.511
  484    HA   ARG  64           HA       ARG  64 -13.601  -7.701   1.939
  485   1HB   ARG  64          2HB       ARG  64 -14.684  -9.190   4.342
  486   2HB   ARG  64          1HB       ARG  64 -15.528  -7.958   3.418
  487   1HG   ARG  64          2HG       ARG  64 -15.487  -9.441   1.455
  488   2HG   ARG  64          1HG       ARG  64 -14.714 -10.686   2.441
  489   1HD   ARG  64          2HD       ARG  64 -16.643 -10.652   3.960
  490   2HD   ARG  64          1HD       ARG  64 -17.419  -9.450   2.929
  491    HE   ARG  64           HE       ARG  64 -16.901 -12.265   2.221
  492   1HH1  ARG  64          1HH1      ARG  64 -18.463  -9.187   1.559
  493   2HH1  ARG  64          2HH1      ARG  64 -19.587  -9.873   0.423
  494   1HH2  ARG  64          1HH2      ARG  64 -18.422 -13.152   0.759
  495   2HH2  ARG  64          2HH2      ARG  64 -19.588 -12.109  -0.005
  496    H    CYS  65           H        CYS  65 -13.634  -5.674   2.834
  497    HA   CYS  65           HA       CYS  65 -11.748  -5.267   5.012
  498   1HB   CYS  65          2HB       CYS  65 -11.626  -3.921   2.897
  499   2HB   CYS  65          1HB       CYS  65 -13.171  -3.195   3.325
  500    HG   CYS  65           HG       CYS  65 -10.157  -2.783   4.884
  501    H    GLU  66           H        GLU  66 -12.246  -4.178   6.925
  502    HA   GLU  66           HA       GLU  66 -14.865  -4.610   7.954
  503   1HB   GLU  66          2HB       GLU  66 -12.592  -2.958   9.075
  504   2HB   GLU  66          1HB       GLU  66 -14.021  -3.463   9.963
  505   1HG   GLU  66          2HG       GLU  66 -11.972  -5.318   8.774
  506   2HG   GLU  66          1HG       GLU  66 -12.056  -4.836  10.468
  507    H    ASN  67           H        ASN  67 -13.128  -1.817   6.728
  508    HA   ASN  67           HA       ASN  67 -15.656  -0.343   6.574
  509   1HB   ASN  67          2HB       ASN  67 -14.539   0.489   8.587
  510   2HB   ASN  67          1HB       ASN  67 -13.070   0.793   7.667
  511   1HD2  ASN  67          1HD2      ASN  67 -16.367   1.792   8.216
  512   2HD2  ASN  67          2HD2      ASN  67 -16.200   3.370   7.526
  513    H    LEU  68           H        LEU  68 -15.975   0.258   4.556
  514    HA   LEU  68           HA       LEU  68 -14.043  -0.277   2.573
  515   1HB   LEU  68          2HB       LEU  68 -16.671   1.169   2.434
  516   2HB   LEU  68          1HB       LEU  68 -15.685   0.824   1.028
  517    HG   LEU  68           HG       LEU  68 -17.058  -1.158   2.837
  518   1HD1  LEU  68          1HD1      LEU  68 -18.462  -0.144   1.129
  519   2HD1  LEU  68          2HD1      LEU  68 -18.156  -1.842   0.762
  520   3HD1  LEU  68          3HD1      LEU  68 -17.287  -0.580  -0.112
  521   1HD2  LEU  68          1HD2      LEU  68 -15.085  -1.694   0.617
  522   2HD2  LEU  68          2HD2      LEU  68 -16.076  -2.912   1.420
  523   3HD2  LEU  68          3HD2      LEU  68 -14.850  -2.031   2.333
  524    H    GLY  69           H        GLY  69 -14.567   2.535   4.444
  525   1HA   GLY  69          2HA       GLY  69 -13.491   4.499   2.748
  526   2HA   GLY  69          1HA       GLY  69 -13.386   4.512   4.505
  527    H    LEU  70           H        LEU  70 -11.900   2.285   5.009
  528    HA   LEU  70           HA       LEU  70  -9.243   3.002   4.369
  529   1HB   LEU  70          2HB       LEU  70 -10.497   0.510   5.504
  530   2HB   LEU  70          1HB       LEU  70  -8.772   0.618   5.213
  531    HG   LEU  70           HG       LEU  70 -10.207   2.609   6.958
  532   1HD1  LEU  70          1HD1      LEU  70 -10.659   0.401   7.881
  533   2HD1  LEU  70          2HD1      LEU  70  -9.482   1.252   8.882
  534   3HD1  LEU  70          3HD1      LEU  70  -8.947  -0.012   7.773
  535   1HD2  LEU  70          1HD2      LEU  70  -7.994   3.242   6.176
  536   2HD2  LEU  70          2HD2      LEU  70  -7.336   1.706   6.740
  537   3HD2  LEU  70          3HD2      LEU  70  -7.953   2.881   7.902
  538    H    ALA  71           H        ALA  71 -11.478   0.598   3.088
  539    HA   ALA  71           HA       ALA  71  -9.696  -0.658   1.309
  540   1HB   ALA  71          1HB       ALA  71 -11.679  -1.574   0.240
  541   2HB   ALA  71          2HB       ALA  71 -12.693  -0.408   1.094
  542   3HB   ALA  71          3HB       ALA  71 -11.822  -1.649   1.996
  543    H    ALA  72           H        ALA  72 -11.379   2.354   1.128
  544    HA   ALA  72           HA       ALA  72 -11.598   2.676  -1.631
  545   1HB   ALA  72          1HB       ALA  72 -12.692   4.143  -0.023
  546   2HB   ALA  72          2HB       ALA  72 -11.751   5.059  -1.198
  547   3HB   ALA  72          3HB       ALA  72 -11.126   4.816   0.433
  548    H    MET  73           H        MET  73  -8.904   3.589   0.522
  549    HA   MET  73           HA       MET  73  -7.325   4.494  -1.693
  550   1HB   MET  73          2HB       MET  73  -5.454   4.598  -0.019
  551   2HB   MET  73          1HB       MET  73  -6.862   5.573   0.355
  552   1HG   MET  73          2HG       MET  73  -6.231   4.652   2.385
  553   2HG   MET  73          1HG       MET  73  -7.586   3.656   1.863
  554   1HE   MET  73          1HE       MET  73  -6.797   1.925   3.764
  555   2HE   MET  73          2HE       MET  73  -5.394   2.923   4.146
  556   3HE   MET  73          3HE       MET  73  -5.187   1.202   3.820
  557    H    VAL  74           H        VAL  74  -7.725   1.476   0.006
  558    HA   VAL  74           HA       VAL  74  -5.492   0.107  -1.042
  559    HB   VAL  74           HB       VAL  74  -8.198  -1.016  -0.277
  560   1HG1  VAL  74          1HG1      VAL  74  -7.024  -3.148   0.003
  561   2HG1  VAL  74          2HG1      VAL  74  -5.543  -2.406  -0.604
  562   3HG1  VAL  74          3HG1      VAL  74  -6.944  -2.572  -1.662
  563   1HG2  VAL  74          1HG2      VAL  74  -7.141  -1.566   1.870
  564   2HG2  VAL  74          2HG2      VAL  74  -7.166   0.173   1.576
  565   3HG2  VAL  74          3HG2      VAL  74  -5.672  -0.737   1.349
  566    H    ASP  75           H        ASP  75  -8.723   0.744  -2.254
  567    HA   ASP  75           HA       ASP  75  -8.869  -0.954  -4.436
  568   1HB   ASP  75          2HB       ASP  75 -10.723   0.481  -3.618
  569   2HB   ASP  75          1HB       ASP  75  -9.886   1.896  -4.240
  570    H    LYS  76           H        LYS  76  -7.345   2.221  -4.167
  571    HA   LYS  76           HA       LYS  76  -6.654   2.486  -6.902
  572   1HB   LYS  76          2HB       LYS  76  -5.116   3.721  -4.619
  573   2HB   LYS  76          1HB       LYS  76  -5.318   4.344  -6.249
  574   1HG   LYS  76          2HG       LYS  76  -7.413   4.189  -4.097
  575   2HG   LYS  76          1HG       LYS  76  -6.640   5.641  -4.727
  576   1HD   LYS  76          2HD       LYS  76  -8.418   3.773  -6.300
  577   2HD   LYS  76          1HD       LYS  76  -8.911   5.325  -5.621
  578   1HE   LYS  76          2HE       LYS  76  -7.205   6.438  -7.009
  579   2HE   LYS  76          1HE       LYS  76  -6.807   4.878  -7.731
  580   1HZ   LYS  76          1HZ       LYS  76  -9.423   6.278  -7.882
  581   2HZ   LYS  76          2HZ       LYS  76  -9.119   4.734  -8.507
  582   3HZ   LYS  76          3HZ       LYS  76  -8.316   6.079  -9.149
  583    H    ILE  77           H        ILE  77  -5.032   1.105  -4.103
  584    HA   ILE  77           HA       ILE  77  -2.541   0.607  -5.387
  585    HB   ILE  77           HB       ILE  77  -3.716  -0.759  -2.957
  586   1HG1  ILE  77          2HG1      ILE  77  -1.854   1.619  -3.135
  587   2HG1  ILE  77          1HG1      ILE  77  -3.565   1.709  -2.738
  588   1HG2  ILE  77          1HG2      ILE  77  -1.858  -2.008  -3.934
  589   2HG2  ILE  77          2HG2      ILE  77  -1.389  -1.284  -2.396
  590   3HG2  ILE  77          3HG2      ILE  77  -0.857  -0.556  -3.912
  591   1HD1  ILE  77          1HD1      ILE  77  -3.140   0.351  -0.733
  592   2HD1  ILE  77          2HD1      ILE  77  -2.235   1.865  -0.740
  593   3HD1  ILE  77          3HD1      ILE  77  -1.420   0.349  -1.125
  594    H    VAL  78           H        VAL  78  -5.462  -1.302  -4.830
  595    HA   VAL  78           HA       VAL  78  -4.561  -3.768  -5.788
  596    HB   VAL  78           HB       VAL  78  -7.340  -2.580  -5.824
  597   1HG1  VAL  78          1HG1      VAL  78  -7.169  -4.331  -7.528
  598   2HG1  VAL  78          2HG1      VAL  78  -8.168  -4.852  -6.171
  599   3HG1  VAL  78          3HG1      VAL  78  -6.513  -5.438  -6.321
  600   1HG2  VAL  78          1HG2      VAL  78  -7.689  -4.092  -3.906
  601   2HG2  VAL  78          2HG2      VAL  78  -6.440  -2.885  -3.599
  602   3HG2  VAL  78          3HG2      VAL  78  -5.985  -4.545  -3.983
  603    H    ALA  79           H        ALA  79  -6.207  -1.125  -7.516
  604    HA   ALA  79           HA       ALA  79  -6.144  -2.355 -10.059
  605   1HB   ALA  79          1HB       ALA  79  -7.615  -0.468  -9.513
  606   2HB   ALA  79          2HB       ALA  79  -6.629  -0.135 -10.938
  607   3HB   ALA  79          3HB       ALA  79  -6.206   0.585  -9.385
  608    H    HIS  80           H        HIS  80  -3.917  -0.224  -8.371
  609    HA   HIS  80           HA       HIS  80  -2.119   0.293 -10.454
  610   1HB   HIS  80          2HB       HIS  80  -2.325   0.908  -7.735
  611   2HB   HIS  80          1HB       HIS  80  -0.806   0.033  -7.879
  612    HD1  HIS  80           1HD      HIS  80  -2.522   3.177  -9.009
  613    HD2  HIS  80           2HD      HIS  80   1.242   1.416  -9.145
  614    HE1  HIS  80           1HE      HIS  80  -0.952   4.994  -9.743
  615    HE2  HIS  80           2HE      HIS  80   1.346   3.969  -9.562
  616    H    ASN  81           H        ASN  81  -2.078  -2.229  -7.953
  617    HA   ASN  81           HA       ASN  81   0.258  -3.525  -8.894
  618   1HB   ASN  81          2HB       ASN  81  -0.445  -3.892  -6.622
  619   2HB   ASN  81          1HB       ASN  81  -2.011  -4.503  -7.148
  620   1HD2  ASN  81          1HD2      ASN  81  -2.218  -6.615  -7.732
  621   2HD2  ASN  81          2HD2      ASN  81  -0.930  -7.764  -7.616
  622    H    LEU  82           H        LEU  82  -3.185  -4.005  -9.508
  623    HA   LEU  82           HA       LEU  82  -3.070  -6.386 -10.950
  624   1HB   LEU  82          2HB       LEU  82  -5.111  -5.057 -10.152
  625   2HB   LEU  82          1HB       LEU  82  -4.919  -4.093 -11.600
  626    HG   LEU  82           HG       LEU  82  -5.297  -7.079 -11.730
  627   1HD1  LEU  82          1HD1      LEU  82  -7.178  -6.184 -10.489
  628   2HD1  LEU  82          2HD1      LEU  82  -7.686  -6.625 -12.119
  629   3HD1  LEU  82          3HD1      LEU  82  -7.415  -4.931 -11.709
  630   1HD2  LEU  82          1HD2      LEU  82  -5.851  -4.868 -13.712
  631   2HD2  LEU  82          2HD2      LEU  82  -6.096  -6.594 -13.980
  632   3HD2  LEU  82          3HD2      LEU  82  -4.466  -5.962 -13.755
  633    H    SER  83           H        SER  83  -2.622  -3.043 -12.015
  634    HA   SER  83           HA       SER  83  -2.478  -3.645 -14.768
  635   1HB   SER  83          2HB       SER  83  -2.943  -1.378 -13.719
  636   2HB   SER  83          1HB       SER  83  -1.206  -1.252 -13.440
  637    HG   SER  83           HG       SER  83  -2.082  -0.323 -15.467
  638    H    LYS  84           H        LYS  84   0.081  -3.223 -12.303
  639    HA   LYS  84           HA       LYS  84   2.174  -3.501 -14.209
  640   1HB   LYS  84          2HB       LYS  84   3.679  -3.735 -12.264
  641   2HB   LYS  84          1HB       LYS  84   2.632  -2.333 -12.162
  642   1HG   LYS  84          2HG       LYS  84   2.542  -3.111 -10.021
  643   2HG   LYS  84          1HG       LYS  84   1.136  -3.912 -10.718
  644   1HD   LYS  84          2HD       LYS  84   2.413  -5.475  -9.364
  645   2HD   LYS  84          1HD       LYS  84   2.487  -5.941 -11.063
  646   1HE   LYS  84          2HE       LYS  84   4.699  -4.988 -11.266
  647   2HE   LYS  84          1HE       LYS  84   4.618  -4.372  -9.617
  648   1HZ   LYS  84          1HZ       LYS  84   4.536  -7.251 -10.349
  649   2HZ   LYS  84          2HZ       LYS  84   4.570  -6.614  -8.780
  650   3HZ   LYS  84          3HZ       LYS  84   5.913  -6.430  -9.801
  651    H    VAL  85           H        VAL  85   0.209  -5.758 -12.511
  652    HA   VAL  85           HA       VAL  85   1.931  -8.011 -12.995
  653    HB   VAL  85           HB       VAL  85  -0.970  -7.885 -12.156
  654   1HG1  VAL  85          1HG1      VAL  85  -0.745 -10.276 -11.610
  655   2HG1  VAL  85          2HG1      VAL  85   0.859 -10.281 -12.341
  656   3HG1  VAL  85          3HG1      VAL  85  -0.562  -9.979 -13.338
  657   1HG2  VAL  85          1HG2      VAL  85  -0.081  -8.606  -9.977
  658   2HG2  VAL  85          2HG2      VAL  85   0.567  -7.043 -10.478
  659   3HG2  VAL  85          3HG2      VAL  85   1.555  -8.496 -10.624
  660    H    ARG  86           H        ARG  86  -0.906  -6.582 -14.562
  661    HA   ARG  86           HA       ARG  86  -1.175  -8.692 -16.470
  662   1HB   ARG  86          2HB       ARG  86  -2.845  -7.320 -17.525
  663   2HB   ARG  86          1HB       ARG  86  -3.040  -7.211 -15.785
  664   1HG   ARG  86          2HG       ARG  86  -1.886  -5.049 -15.801
  665   2HG   ARG  86          1HG       ARG  86  -1.760  -5.149 -17.559
  666   1HD   ARG  86          2HD       ARG  86  -4.169  -5.159 -17.766
  667   2HD   ARG  86          1HD       ARG  86  -4.347  -5.196 -16.012
  668    HE   ARG  86           HE       ARG  86  -2.851  -2.931 -16.673
  669   1HH1  ARG  86          1HH1      ARG  86  -6.103  -4.180 -17.114
  670   2HH1  ARG  86          2HH1      ARG  86  -6.824  -2.596 -17.183
  671   1HH2  ARG  86          1HH2      ARG  86  -3.829  -0.856 -16.753
  672   2HH2  ARG  86          2HH2      ARG  86  -5.551  -0.735 -16.973
  673    H    LEU  87           H        LEU  87   0.677  -5.769 -16.309
  674    HA   LEU  87           HA       LEU  87   1.354  -5.622 -19.062
  675   1HB   LEU  87          2HB       LEU  87   2.724  -4.588 -16.587
  676   2HB   LEU  87          1HB       LEU  87   3.302  -4.267 -18.205
  677    HG   LEU  87           HG       LEU  87   0.624  -3.415 -17.103
  678   1HD1  LEU  87          1HD1      LEU  87   2.461  -2.166 -16.127
  679   2HD1  LEU  87          2HD1      LEU  87   1.549  -1.155 -17.249
  680   3HD1  LEU  87          3HD1      LEU  87   3.105  -1.828 -17.733
  681   1HD2  LEU  87          1HD2      LEU  87   0.388  -2.161 -19.179
  682   2HD2  LEU  87          2HD2      LEU  87   0.542  -3.887 -19.506
  683   3HD2  LEU  87          3HD2      LEU  87   1.919  -2.816 -19.762
  684    H    GLU  88           H        GLU  88   2.842  -7.136 -16.259
  685    HA   GLU  88           HA       GLU  88   4.529  -8.593 -15.962
  686   1HB   GLU  88          2HB       GLU  88   3.574  -9.516 -18.662
  687   2HB   GLU  88          1HB       GLU  88   4.843 -10.343 -17.773
  688   1HG   GLU  88          2HG       GLU  88   3.158 -10.478 -15.857
  689   2HG   GLU  88          1HG       GLU  88   1.950 -10.045 -17.063
  690    H    HIS  89           H        HIS  89   6.104  -6.912 -15.930
  691    HA   HIS  89           HA       HIS  89   7.844  -6.744 -18.251
  692   1HB   HIS  89          2HB       HIS  89   7.645  -5.362 -15.648
  693   2HB   HIS  89          1HB       HIS  89   9.284  -5.609 -16.238
  694    HD1  HIS  89           1HD      HIS  89  10.057  -4.215 -18.210
  695    HD2  HIS  89           2HD      HIS  89   6.041  -3.655 -17.276
  696    HE1  HIS  89           1HE      HIS  89   9.332  -2.187 -19.514
  697    HE2  HIS  89           2HE      HIS  89   6.866  -1.959 -19.054
  698    H    HIS  90           H        HIS  90   7.648  -8.326 -15.159
  699    HA   HIS  90           HA       HIS  90   9.618 -10.266 -16.116
  700   1HB   HIS  90          2HB       HIS  90   9.627  -8.879 -13.451
  701   2HB   HIS  90          1HB       HIS  90  10.200 -10.538 -13.567
  702    HD1  HIS  90           1HD      HIS  90  11.909  -7.911 -12.886
  703    HD2  HIS  90           2HD      HIS  90  11.832 -10.002 -16.484
  704    HE1  HIS  90           1HE      HIS  90  14.100  -7.400 -14.022
  705    HE2  HIS  90           2HE      HIS  90  14.098  -8.803 -16.118
  706    H    HIS  91           H        HIS  91   7.933 -10.049 -13.027
  707    HA   HIS  91           HA       HIS  91   6.352 -11.314 -12.027
  708   1HB   HIS  91          2HB       HIS  91   4.930 -10.227 -13.699
  709   2HB   HIS  91          1HB       HIS  91   5.276 -11.514 -14.846
  710    HD1  HIS  91           1HD      HIS  91   3.321 -12.982 -15.066
  711    HD2  HIS  91           2HD      HIS  91   3.811 -11.654 -11.148
  712    HE1  HIS  91           1HE      HIS  91   1.457 -14.045 -13.741
  713    HE2  HIS  91           2HE      HIS  91   1.806 -13.285 -11.363
  714    H    HIS  92           H        HIS  92   7.952 -12.903 -11.512
  715    HA   HIS  92           HA       HIS  92   7.349 -15.459 -12.846
  716   1HB   HIS  92          2HB       HIS  92   9.714 -16.163 -12.087
  717   2HB   HIS  92          1HB       HIS  92   9.568 -15.142 -13.509
  718    HD1  HIS  92           1HD      HIS  92  10.156 -14.608  -9.764
  719    HD2  HIS  92           2HD      HIS  92  11.293 -13.075 -13.456
  720    HE1  HIS  92           1HE      HIS  92  11.880 -12.846  -9.263
  721    HE2  HIS  92           2HE      HIS  92  12.579 -11.947 -11.515
  722    H    HIS  93           H        HIS  93   5.824 -16.078 -11.441
  723    HA   HIS  93           HA       HIS  93   4.673 -16.555  -9.589
  724   1HB   HIS  93          2HB       HIS  93   5.707 -18.057  -7.931
  725   2HB   HIS  93          1HB       HIS  93   5.970 -18.560  -9.588
  726    HD1  HIS  93           1HD      HIS  93   7.764 -17.445  -6.515
  727    HD2  HIS  93           2HD      HIS  93   8.651 -18.593 -10.407
  728    HE1  HIS  93           1HE      HIS  93  10.253 -17.780  -6.569
  729    HE2  HIS  93           2HE      HIS  93  10.747 -18.629  -8.891
  730    H    HIS  94           H        HIS  94   7.746 -15.189  -8.392
  731    HA   HIS  94           HA       HIS  94   6.127 -13.297  -6.835
  732   1HB   HIS  94          2HB       HIS  94   8.521 -14.870  -5.895
  733   2HB   HIS  94          1HB       HIS  94   8.143 -13.303  -5.193
  734    HD1  HIS  94           1HD      HIS  94   6.778 -13.454  -3.131
  735    HD2  HIS  94           2HD      HIS  94   6.079 -16.659  -5.700
  736    HE1  HIS  94           1HE      HIS  94   5.154 -14.954  -1.931
  737    HE2  HIS  94           2HE      HIS  94   4.869 -16.960  -3.434
  Start of MODEL   10
    1   1H    MET   1          1HT       MET   1  -0.846  16.319   8.457
    2   2H    MET   1          2HT       MET   1  -0.939  17.885   9.102
    3   3H    MET   1          3HT       MET   1  -0.322  16.615  10.046
    4    HA   MET   1           HA       MET   1   0.918  17.656   7.565
    5   1HB   MET   1          2HB       MET   1   1.033  19.259   9.436
    6   2HB   MET   1          1HB       MET   1   1.723  18.008  10.461
    7   1HG   MET   1          2HG       MET   1   3.640  17.863   8.880
    8   2HG   MET   1          1HG       MET   1   2.969  19.247   8.019
    9   1HE   MET   1          1HE       MET   1   1.786  20.916  10.549
   10   2HE   MET   1          2HE       MET   1   2.611  21.651   9.175
   11   3HE   MET   1          3HE       MET   1   3.130  22.025  10.819
   12    H    TYR   2           H        TYR   2   2.168  16.161   6.630
   13    HA   TYR   2           HA       TYR   2   3.406  14.118   8.359
   14   1HB   TYR   2          2HB       TYR   2   2.401  13.764   5.537
   15   2HB   TYR   2          1HB       TYR   2   3.273  12.547   6.455
   16    HD1  TYR   2           1HD      TYR   2   2.215  11.649   8.573
   17    HD2  TYR   2           2HD      TYR   2   0.066  13.990   5.746
   18    HE1  TYR   2           1HE      TYR   2   0.098  10.809   9.497
   19    HE2  TYR   2           2HE      TYR   2  -2.056  13.160   6.667
   20    HH   TYR   2           HH       TYR   2  -2.863  11.180   7.921
   21    H    THR   3           H        THR   3   5.417  14.839   8.560
   22    HA   THR   3           HA       THR   3   6.913  15.573   6.138
   23    HB   THR   3           HB       THR   3   8.629  16.444   7.733
   24    HG1  THR   3           1HG      THR   3   8.440  15.882   9.748
   25   1HG2  THR   3          1HG2      THR   3   7.366  18.425   8.421
   26   2HG2  THR   3          2HG2      THR   3   5.854  17.578   8.100
   27   3HG2  THR   3          3HG2      THR   3   6.956  17.952   6.774
   28    H    ALA   4           H        ALA   4   9.506  14.993   7.172
   29    HA   ALA   4           HA       ALA   4   9.756  12.325   6.327
   30   1HB   ALA   4          1HB       ALA   4  11.555  13.962   6.119
   31   2HB   ALA   4          2HB       ALA   4  12.097  12.516   6.971
   32   3HB   ALA   4          3HB       ALA   4  11.738  13.988   7.873
   33    H    GLU   5           H        GLU   5   9.585  13.750   9.545
   34    HA   GLU   5           HA       GLU   5  10.314  11.527  11.066
   35   1HB   GLU   5          2HB       GLU   5   8.263  13.605  11.822
   36   2HB   GLU   5          1HB       GLU   5   9.202  12.598  12.913
   37   1HG   GLU   5          2HG       GLU   5  10.434  14.480  13.048
   38   2HG   GLU   5          1HG       GLU   5  11.215  13.760  11.646
   39    H    GLN   6           H        GLN   6   7.165  12.520   9.809
   40    HA   GLN   6           HA       GLN   6   5.716  10.367  10.968
   41   1HB   GLN   6          2HB       GLN   6   5.098  12.261   8.710
   42   2HB   GLN   6          1HB       GLN   6   3.998  10.974   9.164
   43   1HG   GLN   6          2HG       GLN   6   3.193  12.894  10.225
   44   2HG   GLN   6          1HG       GLN   6   4.002  11.972  11.489
   45   1HE2  GLN   6          1HE2      GLN   6   5.825  12.794  12.449
   46   2HE2  GLN   6          2HE2      GLN   6   6.374  14.422  12.184
   47    H    LYS   7           H        LYS   7   7.363  10.858   7.898
   48    HA   LYS   7           HA       LYS   7   6.457   8.572   6.549
   49   1HB   LYS   7          2HB       LYS   7   9.080  10.057   6.361
   50   2HB   LYS   7          1HB       LYS   7   8.625   8.760   5.267
   51   1HG   LYS   7          2HG       LYS   7   7.152  11.364   5.623
   52   2HG   LYS   7          1HG       LYS   7   8.224  10.952   4.284
   53   1HD   LYS   7          2HD       LYS   7   6.689   9.009   3.804
   54   2HD   LYS   7          1HD       LYS   7   5.574   9.705   4.982
   55   1HE   LYS   7          2HE       LYS   7   4.908  10.404   2.782
   56   2HE   LYS   7          1HE       LYS   7   5.556  11.798   3.647
   57   1HZ   LYS   7          1HZ       LYS   7   7.663  11.466   2.483
   58   2HZ   LYS   7          2HZ       LYS   7   6.395  11.732   1.397
   59   3HZ   LYS   7          3HZ       LYS   7   6.998  10.162   1.621
   60    H    ALA   8           H        ALA   8   9.019   9.010   8.913
   61    HA   ALA   8           HA       ALA   8  10.211   6.461   8.656
   62   1HB   ALA   8          1HB       ALA   8  11.180   6.900  10.859
   63   2HB   ALA   8          2HB       ALA   8  10.092   8.272  11.071
   64   3HB   ALA   8          3HB       ALA   8  11.318   8.306   9.803
   65    H    ARG   9           H        ARG   9   7.485   7.628  10.583
   66    HA   ARG   9           HA       ARG   9   7.077   5.257  12.062
   67   1HB   ARG   9          2HB       ARG   9   5.150   7.416  11.189
   68   2HB   ARG   9          1HB       ARG   9   4.694   6.085  12.240
   69   1HG   ARG   9          2HG       ARG   9   6.376   6.822  13.872
   70   2HG   ARG   9          1HG       ARG   9   6.758   8.194  12.827
   71   1HD   ARG   9          2HD       ARG   9   4.524   9.052  13.049
   72   2HD   ARG   9          1HD       ARG   9   4.015   7.614  13.929
   73    HE   ARG   9           HE       ARG   9   6.130   9.236  15.112
   74   1HH1  ARG   9          1HH1      ARG   9   2.769   8.274  15.048
   75   2HH1  ARG   9          2HH1      ARG   9   2.430   8.879  16.644
   76   1HH2  ARG   9          1HH2      ARG   9   5.705  10.046  17.212
   77   2HH2  ARG   9          2HH2      ARG   9   4.099   9.893  17.875
   78    H    ILE  10           H        ILE  10   6.074   6.288   8.869
   79    HA   ILE  10           HA       ILE  10   4.287   4.129   8.388
   80    HB   ILE  10           HB       ILE  10   5.723   5.878   6.383
   81   1HG1  ILE  10          2HG1      ILE  10   2.945   6.159   7.554
   82   2HG1  ILE  10          1HG1      ILE  10   4.338   7.114   8.052
   83   1HG2  ILE  10          1HG2      ILE  10   4.848   3.836   5.378
   84   2HG2  ILE  10          2HG2      ILE  10   3.916   5.239   4.854
   85   3HG2  ILE  10          3HG2      ILE  10   3.263   4.158   6.084
   86   1HD1  ILE  10          1HD1      ILE  10   4.506   8.017   5.780
   87   2HD1  ILE  10          2HD1      ILE  10   2.948   8.368   6.528
   88   3HD1  ILE  10          3HD1      ILE  10   3.078   7.089   5.321
   89    H    LYS  11           H        LYS  11   7.659   4.745   7.386
   90    HA   LYS  11           HA       LYS  11   7.984   2.374   5.921
   91   1HB   LYS  11          2HB       LYS  11  10.401   2.783   6.096
   92   2HB   LYS  11          1HB       LYS  11   9.519   4.230   5.656
   93   1HG   LYS  11          2HG       LYS  11   9.712   5.052   7.940
   94   2HG   LYS  11          1HG       LYS  11  10.568   3.579   8.400
   95   1HD   LYS  11          2HD       LYS  11  12.120   5.432   8.003
   96   2HD   LYS  11          1HD       LYS  11  12.370   4.125   6.844
   97   1HE   LYS  11          2HE       LYS  11  11.122   5.355   5.159
   98   2HE   LYS  11          1HE       LYS  11  10.786   6.639   6.318
   99   1HZ   LYS  11          1HZ       LYS  11  13.108   7.172   6.419
  100   2HZ   LYS  11          2HZ       LYS  11  12.635   7.152   4.788
  101   3HZ   LYS  11          3HZ       LYS  11  13.511   5.850   5.434
  102    H    TRP  12           H        TRP  12   8.370   3.028   9.346
  103    HA   TRP  12           HA       TRP  12   9.563   0.521   9.989
  104   1HB   TRP  12          2HB       TRP  12   8.290   2.718  11.571
  105   2HB   TRP  12          1HB       TRP  12   8.556   1.161  12.339
  106    HD1  TRP  12           HD       TRP  12  10.768   3.593  10.240
  107    HE1  TRP  12           1HE      TRP  12  13.078   3.710  11.384
  108    HE3  TRP  12           3HE      TRP  12   9.901   0.375  14.087
  109    HZ2  TRP  12           2HZ      TRP  12  14.352   2.569  13.629
  110    HZ3  TRP  12           3HZ      TRP  12  11.711  -0.069  15.699
  111    HH2  TRP  12           HH       TRP  12  13.892   1.009  15.472
  112    H    ALA  13           H        ALA  13   6.326   1.473   9.274
  113    HA   ALA  13           HA       ALA  13   5.197  -0.776  10.770
  114   1HB   ALA  13          1HB       ALA  13   4.162   1.428  11.057
  115   2HB   ALA  13          2HB       ALA  13   3.034   0.248  10.391
  116   3HB   ALA  13          3HB       ALA  13   3.768   1.458   9.339
  117    H    CYS  14           H        CYS  14   5.427   0.453   7.467
  118    HA   CYS  14           HA       CYS  14   3.570  -1.328   6.324
  119   1HB   CYS  14          2HB       CYS  14   4.633  -0.686   4.159
  120   2HB   CYS  14          1HB       CYS  14   4.152   0.682   5.153
  121    HG   CYS  14           HG       CYS  14   7.077   0.016   3.852
  122    H    ARG  15           H        ARG  15   6.889  -1.731   7.182
  123    HA   ARG  15           HA       ARG  15   7.223  -4.039   5.447
  124   1HB   ARG  15          2HB       ARG  15   9.128  -2.664   7.346
  125   2HB   ARG  15          1HB       ARG  15   9.549  -4.047   6.340
  126   1HG   ARG  15          2HG       ARG  15   9.084  -2.768   4.335
  127   2HG   ARG  15          1HG       ARG  15   8.577  -1.391   5.313
  128   1HD   ARG  15          2HD       ARG  15  10.813  -1.171   6.211
  129   2HD   ARG  15          1HD       ARG  15  11.334  -2.604   5.326
  130    HE   ARG  15           HE       ARG  15  10.482  -1.089   3.322
  131   1HH1  ARG  15          1HH1      ARG  15  12.402  -0.210   6.107
  132   2HH1  ARG  15          2HH1      ARG  15  13.296   1.027   5.281
  133   1HH2  ARG  15          1HH2      ARG  15  11.652   0.520   2.212
  134   2HH2  ARG  15          2HH2      ARG  15  12.888   1.419   3.039
  135    H    ARG  16           H        ARG  16   8.759  -5.746   6.791
  136    HA   ARG  16           HA       ARG  16   8.728  -7.546   8.162
  137   1HB   ARG  16          2HB       ARG  16   7.316  -5.593   9.801
  138   2HB   ARG  16          1HB       ARG  16   6.784  -7.237  10.094
  139   1HG   ARG  16          2HG       ARG  16   8.540  -6.614  11.639
  140   2HG   ARG  16          1HG       ARG  16   9.084  -7.904  10.571
  141   1HD   ARG  16          2HD       ARG  16   9.665  -5.032   9.943
  142   2HD   ARG  16          1HD       ARG  16  10.675  -5.933  11.071
  143    HE   ARG  16           HE       ARG  16  10.677  -7.566   8.965
  144   1HH1  ARG  16          1HH1      ARG  16  11.109  -4.091   9.144
  145   2HH1  ARG  16          2HH1      ARG  16  12.212  -4.036   7.795
  146   1HH2  ARG  16          1HH2      ARG  16  12.100  -7.493   7.177
  147   2HH2  ARG  16          2HH2      ARG  16  12.741  -5.959   6.652
  148    H    GLY  17           H        GLY  17   7.737  -9.456   8.049
  149   1HA   GLY  17          2HA       GLY  17   6.000 -10.989   7.775
  150   2HA   GLY  17          1HA       GLY  17   4.887  -9.648   7.537
  151    H    MET  18           H        MET  18   5.461  -8.343   5.478
  152    HA   MET  18           HA       MET  18   6.078 -10.204   3.292
  153   1HB   MET  18          2HB       MET  18   4.177  -9.272   1.982
  154   2HB   MET  18          1HB       MET  18   3.675 -10.181   3.398
  155   1HG   MET  18          2HG       MET  18   3.376  -8.028   4.600
  156   2HG   MET  18          1HG       MET  18   3.733  -7.189   3.094
  157   1HE   MET  18          1HE       MET  18   1.059  -6.735   4.810
  158   2HE   MET  18          2HE       MET  18  -0.135  -6.666   3.513
  159   3HE   MET  18          3HE       MET  18   1.426  -5.871   3.315
  160    H    LEU  19           H        LEU  19   7.773  -9.406   2.280
  161    HA   LEU  19           HA       LEU  19   8.425  -6.607   2.437
  162   1HB   LEU  19          2HB       LEU  19   9.779  -8.928   1.075
  163   2HB   LEU  19          1HB       LEU  19  10.435  -7.310   1.152
  164    HG   LEU  19           HG       LEU  19   9.922  -9.134   3.499
  165   1HD1  LEU  19          1HD1      LEU  19  12.490  -8.164   2.254
  166   2HD1  LEU  19          2HD1      LEU  19  11.849  -9.805   2.180
  167   3HD1  LEU  19          3HD1      LEU  19  12.359  -9.126   3.726
  168   1HD2  LEU  19          1HD2      LEU  19  11.057  -6.342   3.410
  169   2HD2  LEU  19          2HD2      LEU  19  11.040  -7.392   4.827
  170   3HD2  LEU  19          3HD2      LEU  19   9.522  -6.829   4.129
  171    H    GLU  20           H        GLU  20   7.003  -8.758   0.147
  172    HA   GLU  20           HA       GLU  20   7.610  -7.558  -2.280
  173   1HB   GLU  20          2HB       GLU  20   5.135  -9.047  -1.421
  174   2HB   GLU  20          1HB       GLU  20   5.456  -8.578  -3.082
  175   1HG   GLU  20          2HG       GLU  20   6.065 -10.856  -2.807
  176   2HG   GLU  20          1HG       GLU  20   7.534  -9.914  -3.009
  177    H    LEU  21           H        LEU  21   4.949  -6.870  -0.060
  178    HA   LEU  21           HA       LEU  21   3.578  -5.075  -1.740
  179   1HB   LEU  21          2HB       LEU  21   3.530  -5.697   1.175
  180   2HB   LEU  21          1HB       LEU  21   2.714  -4.251   0.620
  181    HG   LEU  21           HG       LEU  21   1.138  -6.084   0.809
  182   1HD1  LEU  21          1HD1      LEU  21   0.751  -4.451  -0.944
  183   2HD1  LEU  21          2HD1      LEU  21   0.211  -6.051  -1.452
  184   3HD1  LEU  21          3HD1      LEU  21   1.731  -5.397  -2.063
  185   1HD2  LEU  21          1HD2      LEU  21   2.886  -7.526  -1.182
  186   2HD2  LEU  21          2HD2      LEU  21   1.307  -8.068  -0.616
  187   3HD2  LEU  21          3HD2      LEU  21   2.658  -7.961   0.512
  188    H    ASP  22           H        ASP  22   5.989  -4.534   0.795
  189    HA   ASP  22           HA       ASP  22   5.849  -1.758   0.945
  190   1HB   ASP  22          2HB       ASP  22   7.081  -3.088   2.572
  191   2HB   ASP  22          1HB       ASP  22   8.243  -3.567   1.340
  192    H    VAL  23           H        VAL  23   7.471  -3.811  -1.366
  193    HA   VAL  23           HA       VAL  23   9.278  -1.984  -2.465
  194    HB   VAL  23           HB       VAL  23   7.885  -4.279  -3.853
  195   1HG1  VAL  23          1HG1      VAL  23   9.812  -4.272  -5.368
  196   2HG1  VAL  23          2HG1      VAL  23  10.437  -2.831  -4.565
  197   3HG1  VAL  23          3HG1      VAL  23   8.914  -2.758  -5.452
  198   1HG2  VAL  23          1HG2      VAL  23  10.524  -4.184  -2.397
  199   2HG2  VAL  23          2HG2      VAL  23   9.876  -5.570  -3.275
  200   3HG2  VAL  23          3HG2      VAL  23   9.052  -4.980  -1.833
  201    H    VAL  24           H        VAL  24   5.851  -2.518  -3.175
  202    HA   VAL  24           HA       VAL  24   6.039  -0.568  -5.358
  203    HB   VAL  24           HB       VAL  24   3.767  -1.301  -6.004
  204   1HG1  VAL  24          1HG1      VAL  24   4.417  -3.510  -6.844
  205   2HG1  VAL  24          2HG1      VAL  24   5.789  -3.519  -5.735
  206   3HG1  VAL  24          3HG1      VAL  24   5.714  -2.328  -7.033
  207   1HG2  VAL  24          1HG2      VAL  24   2.786  -3.292  -5.002
  208   2HG2  VAL  24          2HG2      VAL  24   2.980  -2.021  -3.794
  209   3HG2  VAL  24          3HG2      VAL  24   4.111  -3.373  -3.839
  210    H    ILE  25           H        ILE  25   4.771  -0.939  -2.154
  211    HA   ILE  25           HA       ILE  25   2.684   0.972  -2.338
  212    HB   ILE  25           HB       ILE  25   4.187  -0.069   0.068
  213   1HG1  ILE  25          2HG1      ILE  25   1.402  -0.639  -0.988
  214   2HG1  ILE  25          1HG1      ILE  25   2.798  -1.703  -1.162
  215   1HG2  ILE  25          1HG2      ILE  25   2.405   0.922   1.438
  216   2HG2  ILE  25          2HG2      ILE  25   1.724   1.679  -0.001
  217   3HG2  ILE  25          3HG2      ILE  25   3.322   2.156   0.573
  218   1HD1  ILE  25          1HD1      ILE  25   2.897  -1.984   1.244
  219   2HD1  ILE  25          2HD1      ILE  25   1.303  -2.418   0.628
  220   3HD1  ILE  25          3HD1      ILE  25   1.542  -0.873   1.445
  221    H    MET  26           H        MET  26   6.019   1.245  -1.088
  222    HA   MET  26           HA       MET  26   5.754   3.825  -0.067
  223   1HB   MET  26          2HB       MET  26   7.603   2.303   0.498
  224   2HB   MET  26          1HB       MET  26   8.277   2.534  -1.110
  225   1HG   MET  26          2HG       MET  26   8.559   4.925  -0.635
  226   2HG   MET  26          1HG       MET  26   7.922   4.665   0.987
  227   1HE   MET  26          1HE       MET  26  10.868   3.907  -1.500
  228   2HE   MET  26          2HE       MET  26  10.270   2.302  -1.079
  229   3HE   MET  26          3HE       MET  26  11.865   2.818  -0.533
  230    HA   PRO  27           HA       PRO  27   7.714   5.651  -4.128
  231   1HB   PRO  27          2HB       PRO  27   6.990   3.646  -6.176
  232   2HB   PRO  27          1HB       PRO  27   8.512   4.509  -5.937
  233   1HG   PRO  27          2HG       PRO  27   8.289   1.903  -5.366
  234   2HG   PRO  27          1HG       PRO  27   9.283   2.984  -4.372
  235   1HD   PRO  27          2HD       PRO  27   6.535   1.917  -3.848
  236   2HD   PRO  27          1HD       PRO  27   7.902   2.100  -2.729
  237    H    PHE  28           H        PHE  28   4.845   3.591  -4.525
  238    HA   PHE  28           HA       PHE  28   3.456   5.424  -6.202
  239   1HB   PHE  28          2HB       PHE  28   2.915   2.991  -6.045
  240   2HB   PHE  28          1HB       PHE  28   2.291   3.265  -4.422
  241    HD1  PHE  28           2HD      PHE  28   1.794   4.078  -7.988
  242    HD2  PHE  28           1HD      PHE  28   0.111   4.089  -4.080
  243    HE1  PHE  28           2HE      PHE  28  -0.405   4.629  -8.942
  244    HE2  PHE  28           1HE      PHE  28  -2.092   4.641  -5.026
  245    HZ   PHE  28           HZ       PHE  28  -2.351   4.911  -7.461
  246    H    PHE  29           H        PHE  29   3.543   4.809  -2.740
  247    HA   PHE  29           HA       PHE  29   1.491   6.509  -1.922
  248   1HB   PHE  29          2HB       PHE  29   2.382   4.959  -0.355
  249   2HB   PHE  29          1HB       PHE  29   4.013   5.594  -0.549
  250    HD1  PHE  29           1HD      PHE  29   0.621   6.774   0.452
  251    HD2  PHE  29           2HD      PHE  29   4.822   6.971   1.086
  252    HE1  PHE  29           1HE      PHE  29   0.259   8.300   2.344
  253    HE2  PHE  29           2HE      PHE  29   4.468   8.493   2.983
  254    HZ   PHE  29           HZ       PHE  29   2.185   9.163   3.612
  255    H    GLU  30           H        GLU  30   4.947   7.207  -2.401
  256    HA   GLU  30           HA       GLU  30   5.015   9.786  -1.411
  257   1HB   GLU  30          2HB       GLU  30   6.488   8.553  -3.735
  258   2HB   GLU  30          1HB       GLU  30   6.903  10.090  -3.016
  259   1HG   GLU  30          2HG       GLU  30   6.798   7.555  -1.499
  260   2HG   GLU  30          1HG       GLU  30   8.251   8.180  -2.244
  261    H    GLU  31           H        GLU  31   4.209   8.708  -4.678
  262    HA   GLU  31           HA       GLU  31   3.640  11.344  -5.633
  263   1HB   GLU  31          2HB       GLU  31   3.067   8.606  -6.756
  264   2HB   GLU  31          1HB       GLU  31   2.620  10.091  -7.585
  265   1HG   GLU  31          2HG       GLU  31   5.421   9.353  -6.775
  266   2HG   GLU  31          1HG       GLU  31   4.740   9.122  -8.385
  267    H    CYS  32           H        CYS  32   1.618   8.623  -4.559
  268    HA   CYS  32           HA       CYS  32  -0.857   9.809  -5.235
  269   1HB   CYS  32          2HB       CYS  32  -0.465   7.375  -4.796
  270   2HB   CYS  32          1HB       CYS  32  -0.327   7.749  -3.082
  271    HG   CYS  32           HG       CYS  32  -3.154   8.706  -4.691
  272    H    PHE  33           H        PHE  33   1.155   9.976  -2.387
  273    HA   PHE  33           HA       PHE  33  -0.579  10.966  -0.478
  274   1HB   PHE  33          2HB       PHE  33   1.616  10.306   0.158
  275   2HB   PHE  33          1HB       PHE  33   2.361  11.458  -0.941
  276    HD1  PHE  33           2HD      PHE  33   0.353  11.187   2.165
  277    HD2  PHE  33           1HD      PHE  33   2.911  13.617  -0.215
  278    HE1  PHE  33           2HE      PHE  33   0.513  12.815   4.004
  279    HE2  PHE  33           1HE      PHE  33   3.077  15.248   1.618
  280    HZ   PHE  33           HZ       PHE  33   1.875  14.849   3.731
  281    H    ASP  34           H        ASP  34   0.993  12.676  -3.107
  282    HA   ASP  34           HA       ASP  34   0.602  15.316  -2.263
  283   1HB   ASP  34          2HB       ASP  34   1.970  14.504  -4.248
  284   2HB   ASP  34          1HB       ASP  34   0.454  14.382  -5.136
  285    H    SER  35           H        SER  35  -1.599  13.007  -3.667
  286    HA   SER  35           HA       SER  35  -3.656  15.056  -4.023
  287   1HB   SER  35          2HB       SER  35  -3.224  13.470  -5.886
  288   2HB   SER  35          1HB       SER  35  -3.686  12.136  -4.832
  289    HG   SER  35           HG       SER  35  -5.571  14.095  -4.873
  290    H    LEU  36           H        LEU  36  -2.766  12.384  -2.003
  291    HA   LEU  36           HA       LEU  36  -5.349  11.928  -0.879
  292   1HB   LEU  36          2HB       LEU  36  -2.604  11.211   0.156
  293   2HB   LEU  36          1HB       LEU  36  -4.111  10.658   0.859
  294    HG   LEU  36           HG       LEU  36  -3.101   9.994  -1.910
  295   1HD1  LEU  36          1HD1      LEU  36  -2.905   7.716  -1.017
  296   2HD1  LEU  36          2HD1      LEU  36  -3.365   8.311   0.579
  297   3HD1  LEU  36          3HD1      LEU  36  -1.860   8.852  -0.164
  298   1HD2  LEU  36          1HD2      LEU  36  -5.549  10.160  -1.828
  299   2HD2  LEU  36          2HD2      LEU  36  -5.575   9.031  -0.473
  300   3HD2  LEU  36          3HD2      LEU  36  -5.012   8.495  -2.057
  301    H    THR  37           H        THR  37  -6.272  12.732   0.920
  302    HA   THR  37           HA       THR  37  -5.073  15.151   2.008
  303    HB   THR  37           HB       THR  37  -7.304  15.372   3.182
  304    HG1  THR  37           1HG      THR  37  -7.909  13.141   1.487
  305   1HG2  THR  37          1HG2      THR  37  -8.480  16.077   1.156
  306   2HG2  THR  37          2HG2      THR  37  -7.333  15.169   0.169
  307   3HG2  THR  37          3HG2      THR  37  -6.786  16.559   1.106
  308    H    GLU  38           H        GLU  38  -5.414  15.528   4.406
  309    HA   GLU  38           HA       GLU  38  -3.840  13.867   5.932
  310   1HB   GLU  38          2HB       GLU  38  -6.092  15.659   6.864
  311   2HB   GLU  38          1HB       GLU  38  -4.849  14.989   7.908
  312   1HG   GLU  38          2HG       GLU  38  -4.341  16.845   5.598
  313   2HG   GLU  38          1HG       GLU  38  -4.452  17.333   7.287
  314    H    SER  39           H        SER  39  -7.370  13.852   5.691
  315    HA   SER  39           HA       SER  39  -7.887  11.964   7.682
  316   1HB   SER  39          2HB       SER  39 -10.037  11.678   6.195
  317   2HB   SER  39          1HB       SER  39  -9.735  13.204   7.029
  318    HG   SER  39           HG       SER  39 -10.059  12.827   4.439
  319    H    GLU  40           H        GLU  40  -7.588  11.559   4.165
  320    HA   GLU  40           HA       GLU  40  -8.007   8.779   4.097
  321   1HB   GLU  40          2HB       GLU  40  -6.381  10.494   2.211
  322   2HB   GLU  40          1HB       GLU  40  -6.989   8.882   1.866
  323   1HG   GLU  40          2HG       GLU  40  -9.236   9.635   1.860
  324   2HG   GLU  40          1HG       GLU  40  -8.776  11.204   2.523
  325    H    GLN  41           H        GLN  41  -5.038  10.703   4.190
  326    HA   GLN  41           HA       GLN  41  -3.204   8.614   4.114
  327   1HB   GLN  41          2HB       GLN  41  -3.146  11.363   4.250
  328   2HB   GLN  41          1HB       GLN  41  -2.431  10.884   5.783
  329   1HG   GLN  41          2HG       GLN  41  -1.521   9.852   3.116
  330   2HG   GLN  41          1HG       GLN  41  -0.829  11.252   3.925
  331   1HE2  GLN  41          1HE2      GLN  41  -1.172   7.799   3.966
  332   2HE2  GLN  41          2HE2      GLN  41   0.058   7.487   5.135
  333    H    ASP  42           H        ASP  42  -4.859  10.140   6.838
  334    HA   ASP  42           HA       ASP  42  -3.419   8.902   8.917
  335   1HB   ASP  42          2HB       ASP  42  -4.869  10.814   9.320
  336   2HB   ASP  42          1HB       ASP  42  -6.281   9.881   8.846
  337    H    ASP  43           H        ASP  43  -6.380   7.956   7.246
  338    HA   ASP  43           HA       ASP  43  -6.959   5.652   8.760
  339   1HB   ASP  43          2HB       ASP  43  -8.381   6.929   6.974
  340   2HB   ASP  43          1HB       ASP  43  -7.587   5.861   5.823
  341    H    PHE  44           H        PHE  44  -5.075   6.160   5.821
  342    HA   PHE  44           HA       PHE  44  -4.430   3.487   5.264
  343   1HB   PHE  44          2HB       PHE  44  -4.156   5.290   3.641
  344   2HB   PHE  44          1HB       PHE  44  -2.906   6.024   4.635
  345    HD1  PHE  44           1HD      PHE  44  -3.544   2.562   3.369
  346    HD2  PHE  44           2HD      PHE  44  -0.850   5.846   3.676
  347    HE1  PHE  44           1HE      PHE  44  -1.838   1.273   2.152
  348    HE2  PHE  44           2HE      PHE  44   0.858   4.560   2.462
  349    HZ   PHE  44           HZ       PHE  44   0.367   2.275   1.698
  350    H    VAL  45           H        VAL  45  -2.627   5.972   7.098
  351    HA   VAL  45           HA       VAL  45  -0.367   4.408   7.664
  352    HB   VAL  45           HB       VAL  45  -1.532   6.707   9.252
  353   1HG1  VAL  45          1HG1      VAL  45   1.212   5.464   9.438
  354   2HG1  VAL  45          2HG1      VAL  45  -0.062   5.336  10.651
  355   3HG1  VAL  45          3HG1      VAL  45   0.665   6.904  10.298
  356   1HG2  VAL  45          1HG2      VAL  45   0.177   8.037   8.148
  357   2HG2  VAL  45          2HG2      VAL  45  -0.878   7.268   6.961
  358   3HG2  VAL  45          3HG2      VAL  45   0.732   6.615   7.266
  359    H    ALA  46           H        ALA  46  -3.306   4.965   9.591
  360    HA   ALA  46           HA       ALA  46  -2.529   3.490  11.844
  361   1HB   ALA  46          1HB       ALA  46  -4.418   5.054  11.828
  362   2HB   ALA  46          2HB       ALA  46  -4.889   3.468  12.441
  363   3HB   ALA  46          3HB       ALA  46  -5.322   3.943  10.799
  364    H    LEU  47           H        LEU  47  -3.966   2.473   8.808
  365    HA   LEU  47           HA       LEU  47  -4.703  -0.138   9.623
  366   1HB   LEU  47          2HB       LEU  47  -5.472   1.155   7.565
  367   2HB   LEU  47          1HB       LEU  47  -3.952   0.687   6.829
  368    HG   LEU  47           HG       LEU  47  -4.592  -1.709   7.209
  369   1HD1  LEU  47          1HD1      LEU  47  -6.941  -2.205   7.641
  370   2HD1  LEU  47          2HD1      LEU  47  -7.266  -0.488   7.876
  371   3HD1  LEU  47          3HD1      LEU  47  -6.209  -1.347   8.997
  372   1HD2  LEU  47          1HD2      LEU  47  -4.843  -0.651   5.032
  373   2HD2  LEU  47          2HD2      LEU  47  -6.431  -0.041   5.497
  374   3HD2  LEU  47          3HD2      LEU  47  -6.166  -1.777   5.334
  375    H    LEU  48           H        LEU  48  -1.789   1.229   8.216
  376    HA   LEU  48           HA       LEU  48  -0.521  -1.228   7.582
  377   1HB   LEU  48          2HB       LEU  48   0.626   1.530   7.976
  378   2HB   LEU  48          1HB       LEU  48   1.516   0.168   7.326
  379    HG   LEU  48           HG       LEU  48  -0.918   1.426   6.053
  380   1HD1  LEU  48          1HD1      LEU  48   1.057   2.878   6.004
  381   2HD1  LEU  48          2HD1      LEU  48   0.642   2.282   4.398
  382   3HD1  LEU  48          3HD1      LEU  48   1.995   1.572   5.278
  383   1HD2  LEU  48          1HD2      LEU  48  -0.366   0.023   4.138
  384   2HD2  LEU  48          2HD2      LEU  48  -0.714  -0.959   5.561
  385   3HD2  LEU  48          3HD2      LEU  48   0.955  -0.714   5.043
  386    H    GLU  49           H        GLU  49  -0.945   0.297  10.590
  387    HA   GLU  49           HA       GLU  49   1.611   0.151  11.687
  388   1HB   GLU  49          2HB       GLU  49  -1.043   0.027  13.108
  389   2HB   GLU  49          1HB       GLU  49   0.505   0.315  13.891
  390   1HG   GLU  49          2HG       GLU  49   0.740   2.311  12.334
  391   2HG   GLU  49          1HG       GLU  49  -0.968   2.078  11.963
  392    H    SER  50           H        SER  50  -0.934  -2.352  11.681
  393    HA   SER  50           HA       SER  50   1.205  -4.283  12.021
  394   1HB   SER  50          2HB       SER  50  -1.191  -4.286  13.832
  395   2HB   SER  50          1HB       SER  50   0.071  -5.496  13.795
  396    HG   SER  50           HG       SER  50   1.265  -3.166  14.083
  397    H    ASP  51           H        ASP  51   0.962  -5.482  10.365
  398    HA   ASP  51           HA       ASP  51   0.180  -6.903   8.786
  399   1HB   ASP  51          2HB       ASP  51  -0.274  -8.294  10.704
  400   2HB   ASP  51          1HB       ASP  51  -1.828  -7.507  10.957
  401    H    ASP  52           H        ASP  52  -0.711  -6.356   6.927
  402    HA   ASP  52           HA       ASP  52  -3.370  -5.092   6.966
  403   1HB   ASP  52          2HB       ASP  52  -1.223  -3.883   6.021
  404   2HB   ASP  52          1HB       ASP  52  -1.649  -4.813   4.583
  405    HA   PRO  53           HA       PRO  53  -4.126  -9.052   4.800
  406   1HB   PRO  53          2HB       PRO  53  -6.489  -9.593   5.982
  407   2HB   PRO  53          1HB       PRO  53  -4.946  -9.987   6.748
  408   1HG   PRO  53          2HG       PRO  53  -6.792  -7.702   7.271
  409   2HG   PRO  53          1HG       PRO  53  -5.855  -8.674   8.419
  410   1HD   PRO  53          2HD       PRO  53  -5.111  -6.179   7.529
  411   2HD   PRO  53          1HD       PRO  53  -3.984  -7.400   8.150
  412    H    ASP  54           H        ASP  54  -6.101  -6.223   5.413
  413    HA   ASP  54           HA       ASP  54  -8.043  -6.616   3.392
  414   1HB   ASP  54          2HB       ASP  54  -6.945  -4.025   4.530
  415   2HB   ASP  54          1HB       ASP  54  -8.419  -4.177   3.581
  416    H    LEU  55           H        LEU  55  -5.021  -4.819   3.532
  417    HA   LEU  55           HA       LEU  55  -4.834  -3.962   0.886
  418   1HB   LEU  55          2HB       LEU  55  -3.351  -3.796   3.170
  419   2HB   LEU  55          1HB       LEU  55  -2.341  -4.838   2.205
  420    HG   LEU  55           HG       LEU  55  -3.221  -2.035   1.585
  421   1HD1  LEU  55          1HD1      LEU  55  -1.420  -2.197   3.185
  422   2HD1  LEU  55          2HD1      LEU  55  -0.823  -1.556   1.654
  423   3HD1  LEU  55          3HD1      LEU  55  -0.512  -3.237   2.088
  424   1HD2  LEU  55          1HD2      LEU  55  -1.619  -3.912  -0.150
  425   2HD2  LEU  55          2HD2      LEU  55  -1.864  -2.193  -0.458
  426   3HD2  LEU  55          3HD2      LEU  55  -3.237  -3.299  -0.494
  427    H    PHE  56           H        PHE  56  -3.533  -6.873   2.426
  428    HA   PHE  56           HA       PHE  56  -2.302  -8.001   0.198
  429   1HB   PHE  56          2HB       PHE  56  -1.945  -8.720   2.543
  430   2HB   PHE  56          1HB       PHE  56  -3.557  -9.426   2.554
  431    HD1  PHE  56           1HD      PHE  56  -0.174  -9.698   1.132
  432    HD2  PHE  56           2HD      PHE  56  -3.974 -11.555   1.586
  433    HE1  PHE  56           1HE      PHE  56   0.764 -11.812   0.300
  434    HE2  PHE  56           2HE      PHE  56  -3.042 -13.675   0.751
  435    HZ   PHE  56           HZ       PHE  56  -0.671 -13.805   0.112
  436    H    ALA  57           H        ALA  57  -5.579  -8.476   1.469
  437    HA   ALA  57           HA       ALA  57  -6.279 -10.533  -0.331
  438   1HB   ALA  57          1HB       ALA  57  -7.422 -10.170   1.803
  439   2HB   ALA  57          2HB       ALA  57  -8.545 -10.219   0.443
  440   3HB   ALA  57          3HB       ALA  57  -8.105  -8.673   1.167
  441    H    TRP  58           H        TRP  58  -6.570  -7.013  -0.567
  442    HA   TRP  58           HA       TRP  58  -8.240  -7.249  -2.911
  443   1HB   TRP  58          2HB       TRP  58  -7.264  -5.016  -1.245
  444   2HB   TRP  58          1HB       TRP  58  -7.547  -4.646  -2.946
  445    HD1  TRP  58           HD       TRP  58  -9.537  -6.531  -0.172
  446    HE1  TRP  58           1HE      TRP  58 -12.020  -5.857  -0.387
  447    HE3  TRP  58           3HE      TRP  58  -9.190  -3.360  -4.187
  448    HZ2  TRP  58           2HZ      TRP  58 -13.602  -4.219  -2.028
  449    HZ3  TRP  58           3HZ      TRP  58 -11.251  -2.284  -5.013
  450    HH2  TRP  58           HH       TRP  58 -13.403  -2.710  -3.952
  451    H    VAL  59           H        VAL  59  -4.833  -6.697  -2.248
  452    HA   VAL  59           HA       VAL  59  -4.106  -6.164  -4.942
  453    HB   VAL  59           HB       VAL  59  -2.468  -7.322  -2.677
  454   1HG1  VAL  59          1HG1      VAL  59  -0.499  -6.728  -4.018
  455   2HG1  VAL  59          2HG1      VAL  59  -1.556  -6.317  -5.368
  456   3HG1  VAL  59          3HG1      VAL  59  -1.473  -7.981  -4.787
  457   1HG2  VAL  59          1HG2      VAL  59  -2.615  -4.543  -3.834
  458   2HG2  VAL  59          2HG2      VAL  59  -1.499  -5.068  -2.573
  459   3HG2  VAL  59          3HG2      VAL  59  -3.236  -5.055  -2.266
  460    H    MET  60           H        MET  60  -4.416  -9.138  -3.049
  461    HA   MET  60           HA       MET  60  -3.549 -10.803  -5.228
  462   1HB   MET  60          2HB       MET  60  -4.863 -11.485  -2.597
  463   2HB   MET  60          1HB       MET  60  -4.263 -12.674  -3.745
  464   1HG   MET  60          2HG       MET  60  -2.625 -10.597  -2.314
  465   2HG   MET  60          1HG       MET  60  -2.679 -12.322  -1.954
  466   1HE   MET  60          1HE       MET  60  -0.008 -10.538  -2.561
  467   2HE   MET  60          2HE       MET  60   0.910 -11.719  -3.493
  468   3HE   MET  60          3HE       MET  60   0.011 -12.230  -2.065
  469    H    GLY  61           H        GLY  61  -6.462  -9.301  -4.367
  470   1HA   GLY  61          2HA       GLY  61  -8.413  -9.194  -5.599
  471   2HA   GLY  61          1HA       GLY  61  -7.749 -10.406  -6.682
  472    H    HIS  62           H        HIS  62  -8.363 -10.602  -3.182
  473    HA   HIS  62           HA       HIS  62 -10.416 -12.621  -3.775
  474   1HB   HIS  62          2HB       HIS  62  -8.283 -12.681  -1.657
  475   2HB   HIS  62          1HB       HIS  62  -9.742 -13.657  -1.532
  476    HD1  HIS  62           1HD      HIS  62  -9.993 -15.646  -3.165
  477    HD2  HIS  62           2HD      HIS  62  -6.423 -13.543  -3.570
  478    HE1  HIS  62           1HE      HIS  62  -8.506 -17.093  -4.589
  479    HE2  HIS  62           2HE      HIS  62  -6.412 -15.737  -4.951
  480    H    GLY  63           H        GLY  63  -9.608  -9.774  -2.136
  481   1HA   GLY  63          2HA       GLY  63 -11.009  -8.211  -1.199
  482   2HA   GLY  63          1HA       GLY  63 -12.352  -9.271  -1.582
  483    H    ARG  64           H        ARG  64 -10.612  -7.850   0.877
  484    HA   ARG  64           HA       ARG  64 -12.202  -9.310   2.832
  485   1HB   ARG  64          2HB       ARG  64  -9.226  -9.145   2.848
  486   2HB   ARG  64          1HB       ARG  64 -10.070  -9.042   4.382
  487   1HG   ARG  64          2HG       ARG  64 -11.148 -11.222   3.861
  488   2HG   ARG  64          1HG       ARG  64 -10.119 -11.325   2.426
  489   1HD   ARG  64          2HD       ARG  64  -8.135 -11.242   3.791
  490   2HD   ARG  64          1HD       ARG  64  -9.100 -10.982   5.241
  491    HE   ARG  64           HE       ARG  64  -9.609 -13.450   3.784
  492   1HH1  ARG  64          1HH1      ARG  64  -8.047 -11.832   6.471
  493   2HH1  ARG  64          2HH1      ARG  64  -7.633 -13.306   7.293
  494   1HH2  ARG  64          1HH2      ARG  64  -9.098 -15.409   4.897
  495   2HH2  ARG  64          2HH2      ARG  64  -8.256 -15.328   6.422
  496    H    CYS  65           H        CYS  65 -11.943  -6.575   1.528
  497    HA   CYS  65           HA       CYS  65 -11.326  -4.945   3.894
  498   1HB   CYS  65          2HB       CYS  65 -10.078  -4.512   1.743
  499   2HB   CYS  65          1HB       CYS  65 -11.604  -3.986   1.042
  500    HG   CYS  65           HG       CYS  65 -10.185  -2.506   3.782
  501    H    GLU  66           H        GLU  66 -12.903  -3.991   4.965
  502    HA   GLU  66           HA       GLU  66 -15.621  -4.353   4.033
  503   1HB   GLU  66          2HB       GLU  66 -14.479  -3.312   6.623
  504   2HB   GLU  66          1HB       GLU  66 -16.201  -3.461   6.302
  505   1HG   GLU  66          2HG       GLU  66 -14.223  -5.730   6.294
  506   2HG   GLU  66          1HG       GLU  66 -15.332  -5.336   7.607
  507    H    ASN  67           H        ASN  67 -13.373  -1.701   4.567
  508    HA   ASN  67           HA       ASN  67 -15.491   0.183   3.801
  509   1HB   ASN  67          2HB       ASN  67 -13.994   1.957   4.685
  510   2HB   ASN  67          1HB       ASN  67 -14.464   0.779   5.901
  511   1HD2  ASN  67          1HD2      ASN  67 -12.180   2.642   5.695
  512   2HD2  ASN  67          2HD2      ASN  67 -10.780   1.652   5.917
  513    H    LEU  68           H        LEU  68 -15.532   0.890   1.797
  514    HA   LEU  68           HA       LEU  68 -13.445   0.197  -0.020
  515   1HB   LEU  68          2HB       LEU  68 -15.933   1.853  -0.357
  516   2HB   LEU  68          1HB       LEU  68 -14.818   1.516  -1.662
  517    HG   LEU  68           HG       LEU  68 -16.528  -0.458  -0.160
  518   1HD1  LEU  68          1HD1      LEU  68 -17.633   0.821  -1.938
  519   2HD1  LEU  68          2HD1      LEU  68 -17.489  -0.888  -2.351
  520   3HD1  LEU  68          3HD1      LEU  68 -16.396   0.291  -3.078
  521   1HD2  LEU  68          1HD2      LEU  68 -14.309  -1.424  -0.529
  522   2HD2  LEU  68          2HD2      LEU  68 -14.422  -1.023  -2.244
  523   3HD2  LEU  68          3HD2      LEU  68 -15.531  -2.198  -1.538
  524    H    GLY  69           H        GLY  69 -13.949   2.848   2.022
  525   1HA   GLY  69          2HA       GLY  69 -12.695   4.930   0.638
  526   2HA   GLY  69          1HA       GLY  69 -12.664   4.726   2.385
  527    H    LEU  70           H        LEU  70 -11.247   2.470   2.765
  528    HA   LEU  70           HA       LEU  70  -8.566   3.167   2.099
  529   1HB   LEU  70          2HB       LEU  70  -9.830   0.790   3.435
  530   2HB   LEU  70          1HB       LEU  70  -8.114   0.820   3.058
  531    HG   LEU  70           HG       LEU  70  -9.555   2.778   4.849
  532   1HD1  LEU  70          1HD1      LEU  70  -7.587   0.593   5.504
  533   2HD1  LEU  70          2HD1      LEU  70  -9.321   0.537   5.817
  534   3HD1  LEU  70          3HD1      LEU  70  -8.311   1.722   6.648
  535   1HD2  LEU  70          1HD2      LEU  70  -7.694   3.802   3.636
  536   2HD2  LEU  70          2HD2      LEU  70  -6.625   2.508   4.178
  537   3HD2  LEU  70          3HD2      LEU  70  -7.322   3.628   5.350
  538    H    ALA  71           H        ALA  71 -10.806   0.658   1.027
  539    HA   ALA  71           HA       ALA  71  -9.096  -0.787  -0.614
  540   1HB   ALA  71          1HB       ALA  71 -12.037  -0.319  -1.052
  541   2HB   ALA  71          2HB       ALA  71 -11.352  -1.508   0.056
  542   3HB   ALA  71          3HB       ALA  71 -11.078  -1.658  -1.681
  543    H    ALA  72           H        ALA  72 -10.701   2.256  -1.190
  544    HA   ALA  72           HA       ALA  72 -10.488   2.384  -3.981
  545   1HB   ALA  72          1HB       ALA  72 -10.368   4.668  -2.016
  546   2HB   ALA  72          2HB       ALA  72 -11.843   3.929  -2.639
  547   3HB   ALA  72          3HB       ALA  72 -10.753   4.782  -3.733
  548    H    MET  73           H        MET  73  -8.228   3.451  -1.439
  549    HA   MET  73           HA       MET  73  -6.334   4.387  -3.370
  550   1HB   MET  73          2HB       MET  73  -4.914   4.960  -1.572
  551   2HB   MET  73          1HB       MET  73  -6.546   5.300  -1.029
  552   1HG   MET  73          2HG       MET  73  -5.509   4.356   0.817
  553   2HG   MET  73          1HG       MET  73  -6.437   3.022   0.143
  554   1HE   MET  73          1HE       MET  73  -1.908   3.509  -0.599
  555   2HE   MET  73          2HE       MET  73  -2.849   4.674   0.332
  556   3HE   MET  73          3HE       MET  73  -3.156   4.472  -1.393
  557    H    VAL  74           H        VAL  74  -6.931   1.389  -1.711
  558    HA   VAL  74           HA       VAL  74  -4.469   0.125  -2.365
  559    HB   VAL  74           HB       VAL  74  -7.171  -1.140  -1.852
  560   1HG1  VAL  74          1HG1      VAL  74  -5.689  -2.677  -3.000
  561   2HG1  VAL  74          2HG1      VAL  74  -5.881  -3.165  -1.316
  562   3HG1  VAL  74          3HG1      VAL  74  -4.408  -2.346  -1.834
  563   1HG2  VAL  74          1HG2      VAL  74  -6.428   0.205   0.036
  564   2HG2  VAL  74          2HG2      VAL  74  -4.869  -0.619   0.027
  565   3HG2  VAL  74          3HG2      VAL  74  -6.337  -1.513   0.424
  566    H    ASP  75           H        ASP  75  -7.622   0.322  -3.952
  567    HA   ASP  75           HA       ASP  75  -7.097  -1.376  -6.121
  568   1HB   ASP  75          2HB       ASP  75  -9.346  -0.522  -5.521
  569   2HB   ASP  75          1HB       ASP  75  -8.869   1.076  -6.089
  570    H    LYS  76           H        LYS  76  -6.358   2.025  -5.591
  571    HA   LYS  76           HA       LYS  76  -5.421   2.690  -8.146
  572   1HB   LYS  76          2HB       LYS  76  -4.459   3.648  -5.440
  573   2HB   LYS  76          1HB       LYS  76  -4.001   4.377  -6.972
  574   1HG   LYS  76          2HG       LYS  76  -6.312   4.994  -7.397
  575   2HG   LYS  76          1HG       LYS  76  -6.811   4.201  -5.900
  576   1HD   LYS  76          2HD       LYS  76  -5.452   5.749  -4.607
  577   2HD   LYS  76          1HD       LYS  76  -4.893   6.524  -6.088
  578   1HE   LYS  76          2HE       LYS  76  -7.762   6.405  -5.170
  579   2HE   LYS  76          1HE       LYS  76  -6.687   7.784  -4.946
  580   1HZ   LYS  76          1HZ       LYS  76  -8.046   8.151  -6.858
  581   2HZ   LYS  76          2HZ       LYS  76  -7.619   6.659  -7.534
  582   3HZ   LYS  76          3HZ       LYS  76  -6.457   7.886  -7.392
  583    H    ILE  77           H        ILE  77  -3.813   1.110  -5.429
  584    HA   ILE  77           HA       ILE  77  -1.253   0.916  -6.655
  585    HB   ILE  77           HB       ILE  77  -2.420  -0.829  -4.476
  586   1HG1  ILE  77          2HG1      ILE  77  -0.746   1.683  -4.237
  587   2HG1  ILE  77          1HG1      ILE  77  -2.473   1.591  -3.920
  588   1HG2  ILE  77          1HG2      ILE  77  -0.084  -1.262  -3.877
  589   2HG2  ILE  77          2HG2      ILE  77   0.445  -0.287  -5.249
  590   3HG2  ILE  77          3HG2      ILE  77  -0.436  -1.789  -5.524
  591   1HD1  ILE  77          1HD1      ILE  77  -0.316   0.151  -2.397
  592   2HD1  ILE  77          2HD1      ILE  77  -2.048   0.028  -2.085
  593   3HD1  ILE  77          3HD1      ILE  77  -1.216   1.567  -1.855
  594    H    VAL  78           H        VAL  78  -4.025  -1.260  -6.369
  595    HA   VAL  78           HA       VAL  78  -2.916  -3.499  -7.650
  596    HB   VAL  78           HB       VAL  78  -5.816  -2.642  -7.566
  597   1HG1  VAL  78          1HG1      VAL  78  -5.461  -4.312  -9.289
  598   2HG1  VAL  78          2HG1      VAL  78  -6.302  -5.037  -7.917
  599   3HG1  VAL  78          3HG1      VAL  78  -4.579  -5.332  -8.151
  600   1HG2  VAL  78          1HG2      VAL  78  -4.268  -4.484  -5.751
  601   2HG2  VAL  78          2HG2      VAL  78  -5.997  -4.146  -5.655
  602   3HG2  VAL  78          3HG2      VAL  78  -4.828  -2.861  -5.345
  603    H    ALA  79           H        ALA  79  -4.625  -0.682  -8.927
  604    HA   ALA  79           HA       ALA  79  -4.819  -1.509 -11.605
  605   1HB   ALA  79          1HB       ALA  79  -5.130   0.831 -12.147
  606   2HB   ALA  79          2HB       ALA  79  -4.509   1.305 -10.568
  607   3HB   ALA  79          3HB       ALA  79  -6.033   0.424 -10.686
  608    H    HIS  80           H        HIS  80  -2.220   0.053  -9.831
  609    HA   HIS  80           HA       HIS  80  -0.534   0.466 -12.092
  610   1HB   HIS  80          2HB       HIS  80  -0.277   1.773 -10.025
  611   2HB   HIS  80          1HB       HIS  80   0.151   0.312  -9.141
  612    HD1  HIS  80           1HD      HIS  80   1.469   2.291 -12.129
  613    HD2  HIS  80           2HD      HIS  80   2.831  -0.096  -8.998
  614    HE1  HIS  80           1HE      HIS  80   3.983   2.387 -12.238
  615    HE2  HIS  80           2HE      HIS  80   4.790   0.881 -10.385
  616    H    ASN  81           H        ASN  81  -0.954  -2.094  -9.739
  617    HA   ASN  81           HA       ASN  81   1.272  -3.667 -10.555
  618   1HB   ASN  81          2HB       ASN  81   0.107  -3.893  -8.353
  619   2HB   ASN  81          1HB       ASN  81  -1.263  -4.606  -9.197
  620   1HD2  ASN  81          1HD2      ASN  81  -1.097  -6.567  -8.149
  621   2HD2  ASN  81          2HD2      ASN  81   0.195  -7.675  -8.442
  622    H    LEU  82           H        LEU  82  -2.063  -3.425 -11.578
  623    HA   LEU  82           HA       LEU  82  -2.419  -5.821 -12.910
  624   1HB   LEU  82          2HB       LEU  82  -4.010  -3.790 -12.452
  625   2HB   LEU  82          1HB       LEU  82  -3.492  -3.262 -14.038
  626    HG   LEU  82           HG       LEU  82  -4.783  -5.943 -13.524
  627   1HD1  LEU  82          1HD1      LEU  82  -6.031  -3.363 -14.462
  628   2HD1  LEU  82          2HD1      LEU  82  -6.335  -4.173 -12.925
  629   3HD1  LEU  82          3HD1      LEU  82  -6.825  -4.938 -14.436
  630   1HD2  LEU  82          1HD2      LEU  82  -5.178  -5.913 -15.939
  631   2HD2  LEU  82          2HD2      LEU  82  -3.456  -5.829 -15.568
  632   3HD2  LEU  82          3HD2      LEU  82  -4.323  -4.375 -16.059
  633    H    SER  83           H        SER  83  -0.986  -2.809 -14.149
  634    HA   SER  83           HA       SER  83  -0.587  -3.799 -16.773
  635   1HB   SER  83          2HB       SER  83   1.059  -1.847 -16.918
  636   2HB   SER  83          1HB       SER  83  -0.615  -1.442 -16.543
  637    HG   SER  83           HG       SER  83   0.244  -0.442 -14.911
  638    H    LYS  84           H        LYS  84   1.293  -3.960 -13.831
  639    HA   LYS  84           HA       LYS  84   3.713  -4.869 -15.022
  640   1HB   LYS  84          2HB       LYS  84   2.660  -5.338 -12.226
  641   2HB   LYS  84          1HB       LYS  84   4.319  -5.584 -12.753
  642   1HG   LYS  84          2HG       LYS  84   4.560  -3.213 -13.194
  643   2HG   LYS  84          1HG       LYS  84   2.875  -2.943 -12.751
  644   1HD   LYS  84          2HD       LYS  84   4.291  -2.334 -10.898
  645   2HD   LYS  84          1HD       LYS  84   3.377  -3.783 -10.480
  646   1HE   LYS  84          2HE       LYS  84   5.736  -3.909  -9.774
  647   2HE   LYS  84          1HE       LYS  84   5.299  -5.173 -10.922
  648   1HZ   LYS  84          1HZ       LYS  84   7.489  -3.808 -11.211
  649   2HZ   LYS  84          2HZ       LYS  84   6.460  -2.681 -11.957
  650   3HZ   LYS  84          3HZ       LYS  84   6.572  -4.265 -12.560
  651    H    VAL  85           H        VAL  85   0.783  -6.410 -13.895
  652    HA   VAL  85           HA       VAL  85   1.692  -9.094 -14.035
  653    HB   VAL  85           HB       VAL  85  -1.138  -8.056 -14.337
  654   1HG1  VAL  85          1HG1      VAL  85  -0.868 -10.368 -15.114
  655   2HG1  VAL  85          2HG1      VAL  85  -1.816 -10.299 -13.628
  656   3HG1  VAL  85          3HG1      VAL  85  -0.126 -10.799 -13.572
  657   1HG2  VAL  85          1HG2      VAL  85   0.334  -8.984 -11.868
  658   2HG2  VAL  85          2HG2      VAL  85  -1.366  -8.520 -11.942
  659   3HG2  VAL  85          3HG2      VAL  85  -0.110  -7.318 -12.239
  660    H    ARG  86           H        ARG  86   0.171  -6.915 -16.361
  661    HA   ARG  86           HA       ARG  86  -0.086  -8.960 -18.365
  662   1HB   ARG  86          2HB       ARG  86  -1.041  -7.312 -19.755
  663   2HB   ARG  86          1HB       ARG  86  -1.584  -6.929 -18.133
  664   1HG   ARG  86          2HG       ARG  86   0.108  -5.173 -17.979
  665   2HG   ARG  86          1HG       ARG  86   0.641  -5.557 -19.617
  666   1HD   ARG  86          2HD       ARG  86  -2.099  -4.580 -18.821
  667   2HD   ARG  86          1HD       ARG  86  -0.844  -3.627 -19.610
  668    HE   ARG  86           HE       ARG  86  -1.420  -5.931 -21.148
  669   1HH1  ARG  86          1HH1      ARG  86  -2.726  -2.783 -20.311
  670   2HH1  ARG  86          2HH1      ARG  86  -3.684  -2.661 -21.753
  671   1HH2  ARG  86          1HH2      ARG  86  -2.689  -5.763 -23.051
  672   2HH2  ARG  86          2HH2      ARG  86  -3.671  -4.345 -23.302
  673    H    LEU  87           H        LEU  87   2.337  -6.660 -17.439
  674    HA   LEU  87           HA       LEU  87   3.890  -6.621 -19.774
  675   1HB   LEU  87          2HB       LEU  87   4.657  -6.421 -16.866
  676   2HB   LEU  87          1HB       LEU  87   5.817  -6.253 -18.162
  677    HG   LEU  87           HG       LEU  87   3.425  -4.462 -17.748
  678   1HD1  LEU  87          1HD1      LEU  87   6.348  -3.968 -17.209
  679   2HD1  LEU  87          2HD1      LEU  87   5.096  -4.197 -15.988
  680   3HD1  LEU  87          3HD1      LEU  87   5.047  -2.789 -17.048
  681   1HD2  LEU  87          1HD2      LEU  87   5.751  -4.247 -19.656
  682   2HD2  LEU  87          2HD2      LEU  87   4.479  -3.045 -19.435
  683   3HD2  LEU  87          3HD2      LEU  87   4.086  -4.634 -20.091
  684    H    GLU  88           H        GLU  88   4.311  -8.652 -16.872
  685    HA   GLU  88           HA       GLU  88   5.510 -10.692 -18.625
  686   1HB   GLU  88          2HB       GLU  88   6.150 -10.222 -15.706
  687   2HB   GLU  88          1HB       GLU  88   6.882 -11.431 -16.750
  688   1HG   GLU  88          2HG       GLU  88   7.783  -9.604 -18.158
  689   2HG   GLU  88          1HG       GLU  88   7.141  -8.446 -16.995
  690    H    HIS  89           H        HIS  89   4.913 -11.321 -15.273
  691    HA   HIS  89           HA       HIS  89   2.283 -12.242 -15.358
  692   1HB   HIS  89          2HB       HIS  89   3.125 -13.893 -16.985
  693   2HB   HIS  89          1HB       HIS  89   4.318 -14.444 -15.815
  694    HD1  HIS  89           1HD      HIS  89   0.517 -14.110 -15.954
  695    HD2  HIS  89           2HD      HIS  89   3.488 -16.628 -14.484
  696    HE1  HIS  89           1HE      HIS  89  -0.692 -16.059 -14.905
  697    HE2  HIS  89           2HE      HIS  89   1.132 -17.645 -14.189
  698    H    HIS  90           H        HIS  90   2.166 -11.459 -13.297
  699    HA   HIS  90           HA       HIS  90   3.220 -13.207 -11.238
  700   1HB   HIS  90          2HB       HIS  90   4.268 -10.492 -11.697
  701   2HB   HIS  90          1HB       HIS  90   3.769 -10.805 -10.039
  702    HD1  HIS  90           1HD      HIS  90   6.692 -10.888 -11.981
  703    HD2  HIS  90           2HD      HIS  90   5.004 -13.520  -9.231
  704    HE1  HIS  90           1HE      HIS  90   8.582 -12.336 -11.174
  705    HE2  HIS  90           2HE      HIS  90   7.578 -13.773  -9.371
  706    H    HIS  91           H        HIS  91   1.224 -13.769 -10.512
  707    HA   HIS  91           HA       HIS  91  -0.567 -11.609  -9.632
  708   1HB   HIS  91          2HB       HIS  91  -1.372 -13.720 -10.916
  709   2HB   HIS  91          1HB       HIS  91  -1.128 -14.566  -9.393
  710    HD1  HIS  91           1HD      HIS  91  -3.707 -13.018 -11.249
  711    HD2  HIS  91           2HD      HIS  91  -2.672 -13.049  -7.216
  712    HE1  HIS  91           1HE      HIS  91  -5.782 -12.318 -10.007
  713    HE2  HIS  91           2HE      HIS  91  -5.180 -12.503  -7.565
  714    H    HIS  92           H        HIS  92   1.131 -14.482  -8.512
  715    HA   HIS  92           HA       HIS  92   2.408 -13.158  -6.439
  716   1HB   HIS  92          2HB       HIS  92   1.463 -14.349  -4.448
  717   2HB   HIS  92          1HB       HIS  92   0.417 -13.115  -5.123
  718    HD1  HIS  92           1HD      HIS  92  -1.918 -13.778  -5.453
  719    HD2  HIS  92           2HD      HIS  92   0.589 -17.075  -5.208
  720    HE1  HIS  92           1HE      HIS  92  -3.439 -15.778  -5.441
  721    HE2  HIS  92           2HE      HIS  92  -1.904 -17.722  -4.977
  722    H    HIS  93           H        HIS  93   4.226 -14.205  -6.120
  723    HA   HIS  93           HA       HIS  93   4.506 -17.040  -6.252
  724   1HB   HIS  93          2HB       HIS  93   4.087 -16.546  -8.642
  725   2HB   HIS  93          1HB       HIS  93   5.426 -15.407  -8.637
  726    HD1  HIS  93           1HD      HIS  93   7.825 -16.395  -8.697
  727    HD2  HIS  93           2HD      HIS  93   4.793 -19.239  -8.796
  728    HE1  HIS  93           1HE      HIS  93   8.931 -18.540  -9.393
  729    HE2  HIS  93           2HE      HIS  93   7.027 -20.157  -9.715
  730    H    HIS  94           H        HIS  94   6.536 -17.654  -5.519
  731    HA   HIS  94           HA       HIS  94   8.426 -15.448  -5.021
  732   1HB   HIS  94          2HB       HIS  94   7.301 -17.402  -3.222
  733   2HB   HIS  94          1HB       HIS  94   9.053 -17.575  -3.284
  734    HD1  HIS  94           1HD      HIS  94  10.096 -16.294  -1.451
  735    HD2  HIS  94           2HD      HIS  94   6.758 -14.341  -2.985
  736    HE1  HIS  94           1HE      HIS  94   9.922 -14.142  -0.170
  737    HE2  HIS  94           2HE      HIS  94   8.051 -12.878  -1.280
  Start of MODEL   11
    1   1H    MET   1          1HT       MET   1  -0.704  19.137   6.320
    2   2H    MET   1          2HT       MET   1  -0.380  18.806   7.951
    3   3H    MET   1          3HT       MET   1  -0.672  17.532   6.868
    4    HA   MET   1           HA       MET   1   1.329  17.967   5.687
    5   1HB   MET   1          2HB       MET   1   1.317  20.420   5.963
    6   2HB   MET   1          1HB       MET   1   1.720  20.224   7.665
    7   1HG   MET   1          2HG       MET   1   3.822  19.078   6.951
    8   2HG   MET   1          1HG       MET   1   3.430  19.524   5.292
    9   1HE   MET   1          1HE       MET   1   4.400  20.823   8.867
   10   2HE   MET   1          2HE       MET   1   2.836  21.590   8.597
   11   3HE   MET   1          3HE       MET   1   4.299  22.573   8.657
   12    H    TYR   2           H        TYR   2   2.804  16.500   6.207
   13    HA   TYR   2           HA       TYR   2   3.474  16.133   9.059
   14   1HB   TYR   2          2HB       TYR   2   3.329  14.071   6.847
   15   2HB   TYR   2          1HB       TYR   2   4.102  13.768   8.400
   16    HD1  TYR   2           1HD      TYR   2   2.513  14.476  10.473
   17    HD2  TYR   2           2HD      TYR   2   1.171  13.279   6.617
   18    HE1  TYR   2           1HE      TYR   2   0.355  13.811  11.439
   19    HE2  TYR   2           2HE      TYR   2  -0.997  12.619   7.574
   20    HH   TYR   2           HH       TYR   2  -1.856  11.880   9.867
   21    H    THR   3           H        THR   3   5.647  16.090   9.587
   22    HA   THR   3           HA       THR   3   7.390  17.117   7.455
   23    HB   THR   3           HB       THR   3   8.817  18.003   9.216
   24    HG1  THR   3           1HG      THR   3   6.987  16.687  10.967
   25   1HG2  THR   3          1HG2      THR   3   5.907  18.638   9.707
   26   2HG2  THR   3          2HG2      THR   3   6.940  19.385   8.489
   27   3HG2  THR   3          3HG2      THR   3   7.273  19.637  10.202
   28    H    ALA   4           H        ALA   4   9.876  16.606   8.346
   29    HA   ALA   4           HA       ALA   4  10.351  13.995   7.469
   30   1HB   ALA   4          1HB       ALA   4  12.020  15.781   7.370
   31   2HB   ALA   4          2HB       ALA   4  12.660  14.348   8.178
   32   3HB   ALA   4          3HB       ALA   4  12.160  15.748   9.127
   33    H    GLU   5           H        GLU   5   9.904  15.260  10.710
   34    HA   GLU   5           HA       GLU   5  10.764  13.053  12.205
   35   1HB   GLU   5          2HB       GLU   5  10.006  15.441  12.922
   36   2HB   GLU   5          1HB       GLU   5   8.403  14.728  13.002
   37   1HG   GLU   5          2HG       GLU   5  10.666  13.431  14.430
   38   2HG   GLU   5          1HG       GLU   5   9.905  14.862  15.107
   39    H    GLN   6           H        GLN   6   7.521  13.881  10.993
   40    HA   GLN   6           HA       GLN   6   6.349  11.427  11.818
   41   1HB   GLN   6          2HB       GLN   6   5.438  13.552   9.887
   42   2HB   GLN   6          1HB       GLN   6   4.487  12.118  10.229
   43   1HG   GLN   6          2HG       GLN   6   3.577  13.725  11.619
   44   2HG   GLN   6          1HG       GLN   6   4.656  12.828  12.686
   45   1HE2  GLN   6          1HE2      GLN   6   4.854  14.538  14.112
   46   2HE2  GLN   6          2HE2      GLN   6   5.757  15.964  13.735
   47    H    LYS   7           H        LYS   7   7.778  12.562   8.799
   48    HA   LYS   7           HA       LYS   7   7.076  10.452   7.120
   49   1HB   LYS   7          2HB       LYS   7   9.582  12.128   7.212
   50   2HB   LYS   7          1HB       LYS   7   9.256  10.963   5.937
   51   1HG   LYS   7          2HG       LYS   7   7.246  12.198   5.314
   52   2HG   LYS   7          1HG       LYS   7   7.563  13.364   6.604
   53   1HD   LYS   7          2HD       LYS   7   9.643  14.016   5.547
   54   2HD   LYS   7          1HD       LYS   7   9.434  12.780   4.305
   55   1HE   LYS   7          2HE       LYS   7   7.416  13.914   3.519
   56   2HE   LYS   7          1HE       LYS   7   7.618  15.144   4.768
   57   1HZ   LYS   7          1HZ       LYS   7   8.450  15.791   2.534
   58   2HZ   LYS   7          2HZ       LYS   7   9.640  14.586   2.663
   59   3HZ   LYS   7          3HZ       LYS   7   9.622  15.885   3.757
   60    H    ALA   8           H        ALA   8   9.721  10.718   9.437
   61    HA   ALA   8           HA       ALA   8  11.033   8.316   8.796
   62   1HB   ALA   8          1HB       ALA   8  12.044  10.040  10.204
   63   2HB   ALA   8          2HB       ALA   8  12.035   8.480  11.027
   64   3HB   ALA   8          3HB       ALA   8  10.857   9.719  11.467
   65    H    ARG   9           H        ARG   9   8.481   9.050  11.139
   66    HA   ARG   9           HA       ARG   9   8.264   6.471  12.233
   67   1HB   ARG   9          2HB       ARG   9   6.194   8.661  12.028
   68   2HB   ARG   9          1HB       ARG   9   6.029   7.220  13.020
   69   1HG   ARG   9          2HG       ARG   9   8.079   7.913  14.253
   70   2HG   ARG   9          1HG       ARG   9   8.061   9.418  13.330
   71   1HD   ARG   9          2HD       ARG   9   7.009   9.679  15.533
   72   2HD   ARG   9          1HD       ARG   9   5.870   9.967  14.217
   73    HE   ARG   9           HE       ARG   9   5.685   7.270  14.943
   74   1HH1  ARG   9          1HH1      ARG   9   5.037  10.426  16.337
   75   2HH1  ARG   9          2HH1      ARG   9   3.736   9.849  17.344
   76   1HH2  ARG   9          1HH2      ARG   9   3.960   6.522  16.237
   77   2HH2  ARG   9          2HH2      ARG   9   3.116   7.628  17.288
   78    H    ILE  10           H        ILE  10   6.706   7.976   9.452
   79    HA   ILE  10           HA       ILE  10   4.893   5.889   8.881
   80    HB   ILE  10           HB       ILE  10   6.191   7.854   6.979
   81   1HG1  ILE  10          2HG1      ILE  10   3.476   7.927   8.321
   82   2HG1  ILE  10          1HG1      ILE  10   4.872   8.878   8.821
   83   1HG2  ILE  10          1HG2      ILE  10   4.328   7.349   5.477
   84   2HG2  ILE  10          2HG2      ILE  10   3.750   6.121   6.604
   85   3HG2  ILE  10          3HG2      ILE  10   5.306   5.917   5.799
   86   1HD1  ILE  10          1HD1      ILE  10   3.323  10.204   7.507
   87   2HD1  ILE  10          2HD1      ILE  10   3.462   9.072   6.163
   88   3HD1  ILE  10          3HD1      ILE  10   4.859  10.025   6.665
   89    H    LYS  11           H        LYS  11   8.200   6.544   7.789
   90    HA   LYS  11           HA       LYS  11   8.422   4.356   6.035
   91   1HB   LYS  11          2HB       LYS  11   9.967   6.309   6.083
   92   2HB   LYS  11          1HB       LYS  11  10.636   5.706   7.594
   93   1HG   LYS  11          2HG       LYS  11  11.417   3.694   6.469
   94   2HG   LYS  11          1HG       LYS  11  10.701   4.253   4.956
   95   1HD   LYS  11          2HD       LYS  11  12.185   6.228   5.019
   96   2HD   LYS  11          1HD       LYS  11  12.931   5.595   6.488
   97   1HE   LYS  11          2HE       LYS  11  13.662   3.610   5.267
   98   2HE   LYS  11          1HE       LYS  11  12.900   4.221   3.799
   99   1HZ   LYS  11          1HZ       LYS  11  15.219   4.702   3.712
  100   2HZ   LYS  11          2HZ       LYS  11  15.201   5.415   5.251
  101   3HZ   LYS  11          3HZ       LYS  11  14.402   6.167   3.956
  102    H    TRP  12           H        TRP  12   9.015   4.668   9.502
  103    HA   TRP  12           HA       TRP  12  10.221   2.161   9.922
  104   1HB   TRP  12          2HB       TRP  12   8.754   4.085  11.679
  105   2HB   TRP  12          1HB       TRP  12   9.151   2.488  12.295
  106    HD1  TRP  12           HD       TRP  12  11.181   5.253  10.435
  107    HE1  TRP  12           1HE      TRP  12  13.446   5.494  11.636
  108    HE3  TRP  12           3HE      TRP  12  10.530   1.714  14.046
  109    HZ2  TRP  12           2HZ      TRP  12  14.779   4.315  13.837
  110    HZ3  TRP  12           3HZ      TRP  12  12.348   1.323  15.664
  111    HH2  TRP  12           HH       TRP  12  14.427   2.599  15.559
  112    H    ALA  13           H        ALA  13   6.911   3.053   9.396
  113    HA   ALA  13           HA       ALA  13   5.879   0.520  10.343
  114   1HB   ALA  13          1HB       ALA  13   4.461   2.733   8.866
  115   2HB   ALA  13          2HB       ALA  13   4.559   2.570  10.620
  116   3HB   ALA  13          3HB       ALA  13   3.703   1.357   9.666
  117    H    CYS  14           H        CYS  14   6.822   1.995   7.332
  118    HA   CYS  14           HA       CYS  14   5.524   0.101   5.634
  119   1HB   CYS  14          2HB       CYS  14   7.866   1.913   5.015
  120   2HB   CYS  14          1HB       CYS  14   6.827   1.113   3.841
  121    HG   CYS  14           HG       CYS  14   5.659   3.431   6.069
  122    H    ARG  15           H        ARG  15   8.864   0.506   6.780
  123    HA   ARG  15           HA       ARG  15   9.499  -2.152   5.744
  124   1HB   ARG  15          2HB       ARG  15  11.862  -1.554   6.350
  125   2HB   ARG  15          1HB       ARG  15  11.138  -0.539   5.117
  126   1HG   ARG  15          2HG       ARG  15  12.247   0.985   6.427
  127   2HG   ARG  15          1HG       ARG  15  10.612   1.060   7.084
  128   1HD   ARG  15          2HD       ARG  15  11.249  -0.390   8.914
  129   2HD   ARG  15          1HD       ARG  15  12.859  -0.597   8.226
  130    HE   ARG  15           HE       ARG  15  11.868   2.020   9.151
  131   1HH1  ARG  15          1HH1      ARG  15  14.353  -0.434   8.969
  132   2HH1  ARG  15          2HH1      ARG  15  15.462   0.431   9.986
  133   1HH2  ARG  15          1HH2      ARG  15  13.357   3.190  10.449
  134   2HH2  ARG  15          2HH2      ARG  15  14.916   2.501  10.795
  135    H    ARG  16           H        ARG  16  11.368  -3.087   7.452
  136    HA   ARG  16           HA       ARG  16  11.720  -4.150   9.429
  137   1HB   ARG  16          2HB       ARG  16  11.309  -1.976  10.548
  138   2HB   ARG  16          1HB       ARG  16   9.592  -2.341  10.599
  139   1HG   ARG  16          2HG       ARG  16  10.125  -4.344  11.976
  140   2HG   ARG  16          1HG       ARG  16  11.802  -3.803  12.022
  141   1HD   ARG  16          2HD       ARG  16  10.715  -3.084  14.031
  142   2HD   ARG  16          1HD       ARG  16  11.029  -1.669  13.028
  143    HE   ARG  16           HE       ARG  16   8.425  -2.685  12.526
  144   1HH1  ARG  16          1HH1      ARG  16  10.260  -0.942  14.953
  145   2HH1  ARG  16          2HH1      ARG  16   8.877  -0.064  15.545
  146   1HH2  ARG  16          1HH2      ARG  16   6.604  -1.522  13.307
  147   2HH2  ARG  16          2HH2      ARG  16   6.815  -0.385  14.602
  148    H    GLY  17           H        GLY  17   8.343  -3.576   8.584
  149   1HA   GLY  17          2HA       GLY  17   7.507  -6.124   9.691
  150   2HA   GLY  17          1HA       GLY  17   6.491  -4.957   8.859
  151    H    MET  18           H        MET  18   5.880  -5.422   6.846
  152    HA   MET  18           HA       MET  18   6.965  -7.847   5.651
  153   1HB   MET  18          2HB       MET  18   4.521  -7.618   5.920
  154   2HB   MET  18          1HB       MET  18   4.549  -6.215   4.861
  155   1HG   MET  18          2HG       MET  18   3.806  -8.168   3.658
  156   2HG   MET  18          1HG       MET  18   5.354  -7.610   3.029
  157   1HE   MET  18          1HE       MET  18   4.563  -9.653   6.294
  158   2HE   MET  18          2HE       MET  18   4.809 -11.309   5.736
  159   3HE   MET  18          3HE       MET  18   3.471 -10.348   5.099
  160    H    LEU  19           H        LEU  19   8.842  -7.308   4.643
  161    HA   LEU  19           HA       LEU  19   9.153  -4.956   3.048
  162   1HB   LEU  19          2HB       LEU  19  10.818  -7.442   3.388
  163   2HB   LEU  19          1HB       LEU  19  11.285  -6.118   2.347
  164    HG   LEU  19           HG       LEU  19  10.886  -5.949   5.333
  165   1HD1  LEU  19          1HD1      LEU  19  12.889  -7.189   4.710
  166   2HD1  LEU  19          2HD1      LEU  19  13.303  -5.625   5.413
  167   3HD1  LEU  19          3HD1      LEU  19  13.396  -5.860   3.667
  168   1HD2  LEU  19          1HD2      LEU  19  11.826  -3.865   3.364
  169   2HD2  LEU  19          2HD2      LEU  19  11.795  -3.686   5.117
  170   3HD2  LEU  19          3HD2      LEU  19  10.286  -3.862   4.223
  171    H    GLU  20           H        GLU  20   8.018  -8.144   2.522
  172    HA   GLU  20           HA       GLU  20   8.369  -8.424  -0.239
  173   1HB   GLU  20          2HB       GLU  20   7.543 -10.162   1.396
  174   2HB   GLU  20          1HB       GLU  20   5.978  -9.363   1.349
  175   1HG   GLU  20          2HG       GLU  20   5.775  -9.839  -1.016
  176   2HG   GLU  20          1HG       GLU  20   7.376 -10.578  -1.026
  177    H    LEU  21           H        LEU  21   6.073  -6.568   1.623
  178    HA   LEU  21           HA       LEU  21   4.565  -5.845  -0.767
  179   1HB   LEU  21          2HB       LEU  21   4.124  -5.590   2.159
  180   2HB   LEU  21          1HB       LEU  21   3.398  -4.369   1.134
  181    HG   LEU  21           HG       LEU  21   1.816  -6.159   1.640
  182   1HD1  LEU  21          1HD1      LEU  21   1.118  -6.672  -0.643
  183   2HD1  LEU  21          2HD1      LEU  21   2.694  -6.159  -1.243
  184   3HD1  LEU  21          3HD1      LEU  21   1.615  -4.988  -0.485
  185   1HD2  LEU  21          1HD2      LEU  21   3.378  -8.004   1.937
  186   2HD2  LEU  21          2HD2      LEU  21   3.767  -7.968   0.218
  187   3HD2  LEU  21          3HD2      LEU  21   2.145  -8.415   0.746
  188    H    ASP  22           H        ASP  22   7.024  -4.607   1.315
  189    HA   ASP  22           HA       ASP  22   6.872  -1.862   0.931
  190   1HB   ASP  22          2HB       ASP  22   8.494  -2.892   2.452
  191   2HB   ASP  22          1HB       ASP  22   9.351  -3.603   1.090
  192    H    VAL  23           H        VAL  23   8.089  -4.364  -1.178
  193    HA   VAL  23           HA       VAL  23   9.428  -2.851  -3.085
  194    HB   VAL  23           HB       VAL  23   7.843  -5.376  -3.586
  195   1HG1  VAL  23          1HG1      VAL  23   8.517  -4.275  -5.641
  196   2HG1  VAL  23          2HG1      VAL  23   9.453  -5.750  -5.401
  197   3HG1  VAL  23          3HG1      VAL  23  10.181  -4.178  -5.067
  198   1HG2  VAL  23          1HG2      VAL  23   9.936  -6.570  -3.131
  199   2HG2  VAL  23          2HG2      VAL  23   9.379  -5.672  -1.718
  200   3HG2  VAL  23          3HG2      VAL  23  10.708  -5.046  -2.696
  201    H    VAL  24           H        VAL  24   5.967  -3.432  -2.722
  202    HA   VAL  24           HA       VAL  24   5.516  -2.061  -5.275
  203    HB   VAL  24           HB       VAL  24   4.485  -4.268  -5.141
  204   1HG1  VAL  24          1HG1      VAL  24   4.165  -4.395  -2.721
  205   2HG1  VAL  24          2HG1      VAL  24   2.675  -4.753  -3.596
  206   3HG1  VAL  24          3HG1      VAL  24   2.892  -3.180  -2.827
  207   1HG2  VAL  24          1HG2      VAL  24   2.457  -2.040  -5.063
  208   2HG2  VAL  24          2HG2      VAL  24   2.193  -3.647  -5.743
  209   3HG2  VAL  24          3HG2      VAL  24   3.378  -2.561  -6.472
  210    H    ILE  25           H        ILE  25   4.826  -1.898  -1.838
  211    HA   ILE  25           HA       ILE  25   2.791   0.079  -2.047
  212    HB   ILE  25           HB       ILE  25   4.476  -0.757   0.316
  213   1HG1  ILE  25          2HG1      ILE  25   1.614  -1.364  -0.469
  214   2HG1  ILE  25          1HG1      ILE  25   2.968  -2.486  -0.543
  215   1HG2  ILE  25          1HG2      ILE  25   3.739   1.527   0.659
  216   2HG2  ILE  25          2HG2      ILE  25   2.836   0.436   1.713
  217   3HG2  ILE  25          3HG2      ILE  25   2.083   1.077   0.253
  218   1HD1  ILE  25          1HD1      ILE  25   1.847  -1.256   1.961
  219   2HD1  ILE  25          2HD1      ILE  25   3.184  -2.402   1.876
  220   3HD1  ILE  25          3HD1      ILE  25   1.562  -2.903   1.397
  221    H    MET  26           H        MET  26   6.282   0.286  -1.342
  222    HA   MET  26           HA       MET  26   6.269   2.984  -0.593
  223   1HB   MET  26          2HB       MET  26   8.429   1.173  -1.612
  224   2HB   MET  26          1HB       MET  26   8.751   2.875  -1.309
  225   1HG   MET  26          2HG       MET  26   7.687   0.925   0.721
  226   2HG   MET  26          1HG       MET  26   9.369   1.438   0.577
  227   1HE   MET  26          1HE       MET  26   8.960   4.515  -0.215
  228   2HE   MET  26          2HE       MET  26  10.163   3.998   0.968
  229   3HE   MET  26          3HE       MET  26   9.034   5.296   1.362
  230    HA   PRO  27           HA       PRO  27   7.572   4.139  -5.169
  231   1HB   PRO  27          2HB       PRO  27   6.233   1.897  -6.595
  232   2HB   PRO  27          1HB       PRO  27   7.746   2.726  -6.977
  233   1HG   PRO  27          2HG       PRO  27   7.784   0.287  -5.939
  234   2HG   PRO  27          1HG       PRO  27   8.956   1.508  -5.402
  235   1HD   PRO  27          2HD       PRO  27   6.468   0.537  -4.045
  236   2HD   PRO  27          1HD       PRO  27   8.059   0.916  -3.349
  237    H    PHE  28           H        PHE  28   4.561   2.321  -4.652
  238    HA   PHE  28           HA       PHE  28   2.938   4.088  -6.176
  239   1HB   PHE  28          2HB       PHE  28   2.177   1.830  -5.753
  240   2HB   PHE  28          1HB       PHE  28   2.212   2.102  -4.013
  241    HD1  PHE  28           2HD      PHE  28   0.711   3.664  -7.054
  242    HD2  PHE  28           1HD      PHE  28   0.206   2.499  -2.990
  243    HE1  PHE  28           2HE      PHE  28  -1.620   4.445  -7.123
  244    HE2  PHE  28           1HE      PHE  28  -2.125   3.273  -3.055
  245    HZ   PHE  28           HZ       PHE  28  -3.038   4.249  -5.122
  246    H    PHE  29           H        PHE  29   3.734   3.829  -2.746
  247    HA   PHE  29           HA       PHE  29   1.998   5.781  -1.756
  248   1HB   PHE  29          2HB       PHE  29   3.237   4.212  -0.329
  249   2HB   PHE  29          1HB       PHE  29   4.748   5.002  -0.759
  250    HD1  PHE  29           2HD      PHE  29   1.451   5.690   0.819
  251    HD2  PHE  29           1HD      PHE  29   5.571   6.715   0.554
  252    HE1  PHE  29           2HE      PHE  29   1.187   7.231   2.719
  253    HE2  PHE  29           1HE      PHE  29   5.313   8.261   2.449
  254    HZ   PHE  29           HZ       PHE  29   3.121   8.520   3.534
  255    H    GLU  30           H        GLU  30   5.281   6.066  -3.042
  256    HA   GLU  30           HA       GLU  30   5.757   8.753  -2.541
  257   1HB   GLU  30          2HB       GLU  30   6.528   7.149  -4.982
  258   2HB   GLU  30          1HB       GLU  30   7.265   8.665  -4.487
  259   1HG   GLU  30          2HG       GLU  30   7.866   7.536  -2.341
  260   2HG   GLU  30          1HG       GLU  30   7.374   6.023  -3.086
  261    H    GLU  31           H        GLU  31   4.113   7.247  -5.240
  262    HA   GLU  31           HA       GLU  31   3.608   9.726  -6.596
  263   1HB   GLU  31          2HB       GLU  31   2.332   7.034  -7.099
  264   2HB   GLU  31          1HB       GLU  31   2.398   8.394  -8.211
  265   1HG   GLU  31          2HG       GLU  31   4.883   8.187  -8.205
  266   2HG   GLU  31          1HG       GLU  31   4.702   6.711  -7.261
  267    H    CYS  32           H        CYS  32   1.718   7.565  -4.543
  268    HA   CYS  32           HA       CYS  32  -0.750   8.959  -5.108
  269   1HB   CYS  32          2HB       CYS  32  -0.649   6.497  -4.773
  270   2HB   CYS  32          1HB       CYS  32  -0.219   6.773  -3.088
  271    HG   CYS  32           HG       CYS  32  -2.701   8.308  -2.754
  272    H    PHE  33           H        PHE  33   1.726   9.159  -2.727
  273    HA   PHE  33           HA       PHE  33   0.404  10.073  -0.474
  274   1HB   PHE  33          2HB       PHE  33   2.748   9.568  -0.421
  275   2HB   PHE  33          1HB       PHE  33   3.105  10.796  -1.619
  276    HD1  PHE  33           2HD      PHE  33   3.205  13.152  -0.989
  277    HD2  PHE  33           1HD      PHE  33   2.414  10.119   1.892
  278    HE1  PHE  33           2HE      PHE  33   3.725  14.737   0.816
  279    HE2  PHE  33           1HE      PHE  33   2.942  11.699   3.702
  280    HZ   PHE  33           HZ       PHE  33   3.597  14.011   3.165
  281    H    ASP  34           H        ASP  34   1.673  12.016  -3.163
  282    HA   ASP  34           HA       ASP  34   0.675  14.490  -2.186
  283   1HB   ASP  34          2HB       ASP  34   2.528  14.477  -3.721
  284   2HB   ASP  34          1HB       ASP  34   1.588  13.608  -4.929
  285    H    SER  35           H        SER  35  -0.749  11.885  -3.895
  286    HA   SER  35           HA       SER  35  -2.742  13.437  -5.269
  287   1HB   SER  35          2HB       SER  35  -1.702  11.288  -6.122
  288   2HB   SER  35          1HB       SER  35  -2.652  10.436  -4.908
  289    HG   SER  35           HG       SER  35  -3.572  11.961  -7.119
  290    H    LEU  36           H        LEU  36  -2.445  11.949  -2.180
  291    HA   LEU  36           HA       LEU  36  -5.348  11.837  -1.802
  292   1HB   LEU  36          2HB       LEU  36  -3.119  10.973   0.044
  293   2HB   LEU  36          1HB       LEU  36  -4.832  10.733   0.329
  294    HG   LEU  36           HG       LEU  36  -3.181   9.457  -1.849
  295   1HD1  LEU  36          1HD1      LEU  36  -3.649   7.382  -0.645
  296   2HD1  LEU  36          2HD1      LEU  36  -4.510   8.291   0.598
  297   3HD1  LEU  36          3HD1      LEU  36  -2.776   8.529   0.372
  298   1HD2  LEU  36          1HD2      LEU  36  -5.200   8.196  -2.400
  299   2HD2  LEU  36          2HD2      LEU  36  -5.455   9.925  -2.629
  300   3HD2  LEU  36          3HD2      LEU  36  -6.112   9.118  -1.205
  301    H    THR  37           H        THR  37  -6.371  12.889  -0.033
  302    HA   THR  37           HA       THR  37  -5.131  15.376   0.789
  303    HB   THR  37           HB       THR  37  -7.257  15.743   2.041
  304    HG1  THR  37           1HG      THR  37  -8.100  13.309   0.803
  305   1HG2  THR  37          1HG2      THR  37  -8.699  15.979   0.072
  306   2HG2  THR  37          2HG2      THR  37  -7.608  14.945  -0.852
  307   3HG2  THR  37          3HG2      THR  37  -7.054  16.515  -0.269
  308    H    GLU  38           H        GLU  38  -5.439  15.905   3.265
  309    HA   GLU  38           HA       GLU  38  -3.494  14.379   4.556
  310   1HB   GLU  38          2HB       GLU  38  -5.515  16.282   5.741
  311   2HB   GLU  38          1HB       GLU  38  -4.118  15.645   6.599
  312   1HG   GLU  38          2HG       GLU  38  -4.061  17.374   4.139
  313   2HG   GLU  38          1HG       GLU  38  -3.689  17.878   5.786
  314    H    SER  39           H        SER  39  -7.014  14.290   4.888
  315    HA   SER  39           HA       SER  39  -7.073  12.467   7.037
  316   1HB   SER  39          2HB       SER  39  -9.459  12.040   5.876
  317   2HB   SER  39          1HB       SER  39  -9.110  13.472   6.843
  318    HG   SER  39           HG       SER  39  -9.856  14.339   5.029
  319    H    GLU  40           H        GLU  40  -7.293  11.970   3.516
  320    HA   GLU  40           HA       GLU  40  -7.579   9.158   3.623
  321   1HB   GLU  40          2HB       GLU  40  -6.362  10.862   1.437
  322   2HB   GLU  40          1HB       GLU  40  -6.899   9.196   1.262
  323   1HG   GLU  40          2HG       GLU  40  -9.172   9.809   1.573
  324   2HG   GLU  40          1HG       GLU  40  -8.726  11.445   2.057
  325    H    GLN  41           H        GLN  41  -4.786  11.277   3.389
  326    HA   GLN  41           HA       GLN  41  -2.728   9.502   3.124
  327   1HB   GLN  41          2HB       GLN  41  -2.627  11.936   2.942
  328   2HB   GLN  41          1HB       GLN  41  -2.978  12.092   4.656
  329   1HG   GLN  41          2HG       GLN  41  -0.884  10.821   5.068
  330   2HG   GLN  41          1HG       GLN  41  -0.530  11.031   3.358
  331   1HE2  GLN  41          1HE2      GLN  41  -2.215  13.374   5.297
  332   2HE2  GLN  41          2HE2      GLN  41  -0.990  14.596   5.265
  333    H    ASP  42           H        ASP  42  -4.286  10.756   6.049
  334    HA   ASP  42           HA       ASP  42  -2.600   9.388   7.885
  335   1HB   ASP  42          2HB       ASP  42  -3.907  11.467   8.369
  336   2HB   ASP  42          1HB       ASP  42  -5.371  10.497   8.357
  337    H    ASP  43           H        ASP  43  -5.682   8.667   6.389
  338    HA   ASP  43           HA       ASP  43  -6.395   6.415   7.931
  339   1HB   ASP  43          2HB       ASP  43  -7.826   7.716   6.247
  340   2HB   ASP  43          1HB       ASP  43  -7.032   6.760   5.002
  341    H    PHE  44           H        PHE  44  -4.517   6.746   4.950
  342    HA   PHE  44           HA       PHE  44  -4.031   3.998   4.547
  343   1HB   PHE  44          2HB       PHE  44  -3.731   5.773   2.819
  344   2HB   PHE  44          1HB       PHE  44  -2.309   6.337   3.691
  345    HD1  PHE  44           1HD      PHE  44  -3.729   3.492   1.812
  346    HD2  PHE  44           2HD      PHE  44  -0.213   5.279   3.414
  347    HE1  PHE  44           1HE      PHE  44  -2.347   1.893   0.551
  348    HE2  PHE  44           2HE      PHE  44   1.174   3.679   2.159
  349    HZ   PHE  44           HZ       PHE  44   0.107   1.986   0.724
  350    H    VAL  45           H        VAL  45  -2.191   6.533   6.222
  351    HA   VAL  45           HA       VAL  45   0.018   4.968   6.952
  352    HB   VAL  45           HB       VAL  45  -1.187   7.338   8.398
  353   1HG1  VAL  45          1HG1      VAL  45   0.984   7.571   9.498
  354   2HG1  VAL  45          2HG1      VAL  45   1.566   6.120   8.683
  355   3HG1  VAL  45          3HG1      VAL  45   0.275   6.000   9.878
  356   1HG2  VAL  45          1HG2      VAL  45  -0.484   7.838   6.114
  357   2HG2  VAL  45          2HG2      VAL  45   1.104   7.144   6.447
  358   3HG2  VAL  45          3HG2      VAL  45   0.588   8.604   7.286
  359    H    ALA  46           H        ALA  46  -3.112   5.435   8.497
  360    HA   ALA  46           HA       ALA  46  -2.650   4.096  10.904
  361   1HB   ALA  46          1HB       ALA  46  -4.668   5.384  10.479
  362   2HB   ALA  46          2HB       ALA  46  -5.077   3.741  10.976
  363   3HB   ALA  46          3HB       ALA  46  -5.188   4.203   9.277
  364    H    LEU  47           H        LEU  47  -3.544   2.861   7.725
  365    HA   LEU  47           HA       LEU  47  -3.933   0.167   8.460
  366   1HB   LEU  47          2HB       LEU  47  -4.570   1.362   6.288
  367   2HB   LEU  47          1HB       LEU  47  -2.908   1.132   5.793
  368    HG   LEU  47           HG       LEU  47  -4.711  -1.176   6.517
  369   1HD1  LEU  47          1HD1      LEU  47  -5.081  -1.476   4.129
  370   2HD1  LEU  47          2HD1      LEU  47  -4.190   0.009   3.797
  371   3HD1  LEU  47          3HD1      LEU  47  -5.716   0.075   4.679
  372   1HD2  LEU  47          1HD2      LEU  47  -2.344  -1.713   6.537
  373   2HD2  LEU  47          2HD2      LEU  47  -2.144  -0.996   4.938
  374   3HD2  LEU  47          3HD2      LEU  47  -3.118  -2.453   5.136
  375    H    LEU  48           H        LEU  48  -1.069   1.996   7.552
  376    HA   LEU  48           HA       LEU  48   0.643  -0.170   7.033
  377   1HB   LEU  48          2HB       LEU  48   1.315   2.625   7.945
  378   2HB   LEU  48          1HB       LEU  48   2.466   1.474   7.295
  379    HG   LEU  48           HG       LEU  48   0.117   2.630   5.783
  380   1HD1  LEU  48          1HD1      LEU  48   1.832   4.302   6.205
  381   2HD1  LEU  48          2HD1      LEU  48   1.829   3.833   4.505
  382   3HD1  LEU  48          3HD1      LEU  48   3.070   3.208   5.591
  383   1HD2  LEU  48          1HD2      LEU  48   0.712   0.364   5.065
  384   2HD2  LEU  48          2HD2      LEU  48   2.387   0.875   4.851
  385   3HD2  LEU  48          3HD2      LEU  48   1.118   1.564   3.838
  386    H    GLU  49           H        GLU  49  -0.390   1.202  10.046
  387    HA   GLU  49           HA       GLU  49   1.813   0.102  11.542
  388   1HB   GLU  49          2HB       GLU  49  -0.805   1.313  12.412
  389   2HB   GLU  49          1HB       GLU  49   0.398   0.699  13.538
  390   1HG   GLU  49          2HG       GLU  49   2.004   2.313  12.295
  391   2HG   GLU  49          1HG       GLU  49   0.513   3.092  11.759
  392    H    SER  50           H        SER  50  -0.992  -1.156  10.189
  393    HA   SER  50           HA       SER  50  -1.250  -3.262  12.208
  394   1HB   SER  50          2HB       SER  50  -3.274  -2.013  11.274
  395   2HB   SER  50          1HB       SER  50  -2.976  -2.861   9.758
  396    HG   SER  50           HG       SER  50  -3.801  -3.877  12.251
  397    H    ASP  51           H        ASP  51  -2.047  -5.394  10.779
  398    HA   ASP  51           HA       ASP  51   0.363  -6.183   9.375
  399   1HB   ASP  51          2HB       ASP  51  -2.105  -7.774  10.120
  400   2HB   ASP  51          1HB       ASP  51  -0.648  -8.448   9.398
  401    H    ASP  52           H        ASP  52  -0.129  -7.706   7.381
  402    HA   ASP  52           HA       ASP  52  -2.085  -6.296   5.683
  403   1HB   ASP  52          2HB       ASP  52  -0.530  -6.717   3.792
  404   2HB   ASP  52          1HB       ASP  52   0.164  -5.693   5.043
  405    HA   PRO  53           HA       PRO  53  -2.904 -10.899   5.246
  406   1HB   PRO  53          2HB       PRO  53  -5.144 -10.914   7.025
  407   2HB   PRO  53          1HB       PRO  53  -3.601 -11.742   7.232
  408   1HG   PRO  53          2HG       PRO  53  -4.494  -9.652   8.813
  409   2HG   PRO  53          1HG       PRO  53  -2.802 -10.148   8.640
  410   1HD   PRO  53          2HD       PRO  53  -4.268  -7.909   7.304
  411   2HD   PRO  53          1HD       PRO  53  -2.606  -7.958   7.932
  412    H    ASP  54           H        ASP  54  -5.525  -8.689   6.178
  413    HA   ASP  54           HA       ASP  54  -7.361  -9.406   4.207
  414   1HB   ASP  54          2HB       ASP  54  -7.009  -6.672   5.467
  415   2HB   ASP  54          1HB       ASP  54  -8.473  -7.299   4.718
  416    H    LEU  55           H        LEU  55  -4.808  -6.979   4.238
  417    HA   LEU  55           HA       LEU  55  -5.344  -5.742   1.792
  418   1HB   LEU  55          2HB       LEU  55  -3.744  -4.967   3.562
  419   2HB   LEU  55          1HB       LEU  55  -2.636  -6.218   3.043
  420    HG   LEU  55           HG       LEU  55  -3.569  -4.150   1.075
  421   1HD1  LEU  55          1HD1      LEU  55  -1.650  -2.760   1.689
  422   2HD1  LEU  55          2HD1      LEU  55  -1.308  -3.830   3.048
  423   3HD1  LEU  55          3HD1      LEU  55  -2.802  -2.893   3.019
  424   1HD2  LEU  55          1HD2      LEU  55  -1.363  -4.585   0.091
  425   2HD2  LEU  55          2HD2      LEU  55  -2.306  -6.068   0.236
  426   3HD2  LEU  55          3HD2      LEU  55  -1.012  -5.730   1.386
  427    H    PHE  56           H        PHE  56  -3.166  -8.457   2.543
  428    HA   PHE  56           HA       PHE  56  -2.309  -8.971  -0.073
  429   1HB   PHE  56          2HB       PHE  56  -1.284  -9.903   2.007
  430   2HB   PHE  56          1HB       PHE  56  -2.675 -10.962   2.180
  431    HD1  PHE  56           2HD      PHE  56   0.210 -10.176   0.020
  432    HD2  PHE  56           1HD      PHE  56  -2.800 -13.004   1.024
  433    HE1  PHE  56           2HE      PHE  56   1.340 -11.865  -1.367
  434    HE2  PHE  56           1HE      PHE  56  -1.682 -14.699  -0.364
  435    HZ   PHE  56           HZ       PHE  56   0.391 -14.131  -1.560
  436    H    ALA  57           H        ALA  57  -5.126 -10.061   1.720
  437    HA   ALA  57           HA       ALA  57  -5.991 -12.013  -0.132
  438   1HB   ALA  57          1HB       ALA  57  -6.705 -12.007   2.201
  439   2HB   ALA  57          2HB       ALA  57  -8.091 -11.982   1.110
  440   3HB   ALA  57          3HB       ALA  57  -7.589 -10.505   1.931
  441    H    TRP  58           H        TRP  58  -6.799  -8.571   0.264
  442    HA   TRP  58           HA       TRP  58  -8.808  -8.558  -1.730
  443   1HB   TRP  58          2HB       TRP  58  -7.223  -6.398  -0.393
  444   2HB   TRP  58          1HB       TRP  58  -8.234  -6.016  -1.785
  445    HD1  TRP  58           HD       TRP  58  -8.647  -7.767   1.637
  446    HE1  TRP  58           1HE      TRP  58 -10.978  -7.199   2.559
  447    HE3  TRP  58           3HE      TRP  58 -10.413  -5.029  -2.292
  448    HZ2  TRP  58           2HZ      TRP  58 -13.270  -5.781   1.727
  449    HZ3  TRP  58           3HZ      TRP  58 -12.691  -4.096  -2.149
  450    HH2  TRP  58           HH       TRP  58 -14.086  -4.468  -0.184
  451    H    VAL  59           H        VAL  59  -5.323  -8.112  -1.829
  452    HA   VAL  59           HA       VAL  59  -5.102  -7.211  -4.485
  453    HB   VAL  59           HB       VAL  59  -3.166  -8.923  -2.909
  454   1HG1  VAL  59          1HG1      VAL  59  -2.722  -7.294  -5.410
  455   2HG1  VAL  59          2HG1      VAL  59  -2.697  -9.053  -5.291
  456   3HG1  VAL  59          3HG1      VAL  59  -1.462  -8.099  -4.472
  457   1HG2  VAL  59          1HG2      VAL  59  -2.011  -6.814  -2.458
  458   2HG2  VAL  59          2HG2      VAL  59  -3.655  -6.799  -1.822
  459   3HG2  VAL  59          3HG2      VAL  59  -3.279  -5.936  -3.314
  460    H    MET  60           H        MET  60  -5.447 -10.430  -3.113
  461    HA   MET  60           HA       MET  60  -5.198 -11.691  -5.717
  462   1HB   MET  60          2HB       MET  60  -5.839 -12.863  -3.005
  463   2HB   MET  60          1HB       MET  60  -5.610 -13.800  -4.477
  464   1HG   MET  60          2HG       MET  60  -3.556 -12.125  -3.047
  465   2HG   MET  60          1HG       MET  60  -3.603 -13.882  -3.181
  466   1HE   MET  60          1HE       MET  60  -1.001 -12.196  -3.864
  467   2HE   MET  60          2HE       MET  60  -0.482 -12.993  -5.348
  468   3HE   MET  60          3HE       MET  60  -1.106 -13.950  -4.005
  469    H    GLY  61           H        GLY  61  -7.669 -10.412  -3.734
  470   1HA   GLY  61          2HA       GLY  61  -9.819  -9.913  -4.543
  471   2HA   GLY  61          1HA       GLY  61  -9.614 -11.140  -5.783
  472    H    HIS  62           H        HIS  62  -8.840 -11.912  -2.512
  473    HA   HIS  62           HA       HIS  62 -11.261 -13.600  -2.379
  474   1HB   HIS  62          2HB       HIS  62  -9.125 -14.853  -2.593
  475   2HB   HIS  62          1HB       HIS  62  -8.539 -14.077  -1.128
  476    HD1  HIS  62           1HD      HIS  62  -9.077 -15.192   1.050
  477    HD2  HIS  62           2HD      HIS  62 -11.360 -16.659  -2.111
  478    HE1  HIS  62           1HE      HIS  62 -10.308 -17.181   1.966
  479    HE2  HIS  62           2HE      HIS  62 -11.584 -18.135   0.013
  480    H    GLY  63           H        GLY  63 -10.003 -10.835  -1.186
  481   1HA   GLY  63          2HA       GLY  63 -10.340 -11.389   1.645
  482   2HA   GLY  63          1HA       GLY  63  -9.706  -9.912   0.938
  483    H    ARG  64           H        ARG  64 -11.463  -9.959   3.015
  484    HA   ARG  64           HA       ARG  64 -13.585  -8.313   1.913
  485   1HB   ARG  64          2HB       ARG  64 -15.250  -9.437   3.479
  486   2HB   ARG  64          1HB       ARG  64 -14.792 -10.358   2.053
  487   1HG   ARG  64          2HG       ARG  64 -13.095 -11.526   3.521
  488   2HG   ARG  64          1HG       ARG  64 -13.912 -10.772   4.892
  489   1HD   ARG  64          2HD       ARG  64 -15.965 -11.890   4.365
  490   2HD   ARG  64          1HD       ARG  64 -15.305 -12.493   2.843
  491    HE   ARG  64           HE       ARG  64 -14.070 -13.292   5.390
  492   1HH1  ARG  64          1HH1      ARG  64 -15.951 -14.166   2.554
  493   2HH1  ARG  64          2HH1      ARG  64 -15.633 -15.868   2.719
  494   1HH2  ARG  64          1HH2      ARG  64 -13.659 -15.525   5.595
  495   2HH2  ARG  64          2HH2      ARG  64 -14.281 -16.632   4.406
  496    H    CYS  65           H        CYS  65 -14.067  -6.594   3.311
  497    HA   CYS  65           HA       CYS  65 -12.525  -6.565   5.818
  498   1HB   CYS  65          2HB       CYS  65 -11.288  -5.423   3.949
  499   2HB   CYS  65          1HB       CYS  65 -12.613  -4.269   3.849
  500    HG   CYS  65           HG       CYS  65 -10.224  -3.311   5.213
  501    H    GLU  66           H        GLU  66 -13.101  -4.547   7.130
  502    HA   GLU  66           HA       GLU  66 -15.978  -4.566   7.458
  503   1HB   GLU  66          2HB       GLU  66 -13.842  -3.213   9.113
  504   2HB   GLU  66          1HB       GLU  66 -15.523  -3.429   9.569
  505   1HG   GLU  66          2HG       GLU  66 -13.492  -5.613   9.170
  506   2HG   GLU  66          1HG       GLU  66 -14.110  -5.020  10.711
  507    H    ASN  67           H        ASN  67 -13.394  -2.230   6.785
  508    HA   ASN  67           HA       ASN  67 -15.487  -0.276   6.108
  509   1HB   ASN  67          2HB       ASN  67 -13.909   1.518   6.693
  510   2HB   ASN  67          1HB       ASN  67 -14.238   0.472   8.067
  511   1HD2  ASN  67          1HD2      ASN  67 -11.990   2.257   7.520
  512   2HD2  ASN  67          2HD2      ASN  67 -10.574   1.270   7.619
  513    H    LEU  68           H        LEU  68 -15.480   0.595   4.142
  514    HA   LEU  68           HA       LEU  68 -13.808  -0.672   2.188
  515   1HB   LEU  68          2HB       LEU  68 -15.936   1.435   1.949
  516   2HB   LEU  68          1HB       LEU  68 -15.072   0.769   0.579
  517    HG   LEU  68           HG       LEU  68 -16.922  -0.708   2.450
  518   1HD1  LEU  68          1HD1      LEU  68 -18.221  -1.089   0.416
  519   2HD1  LEU  68          2HD1      LEU  68 -17.059  -0.132  -0.504
  520   3HD1  LEU  68          3HD1      LEU  68 -18.033   0.633   0.752
  521   1HD2  LEU  68          1HD2      LEU  68 -16.485  -2.688   1.079
  522   2HD2  LEU  68          2HD2      LEU  68 -15.027  -2.137   1.905
  523   3HD2  LEU  68          3HD2      LEU  68 -15.249  -1.797   0.189
  524    H    GLY  69           H        GLY  69 -13.604   2.227   3.977
  525   1HA   GLY  69          2HA       GLY  69 -12.193   3.885   2.216
  526   2HA   GLY  69          1HA       GLY  69 -12.040   3.914   3.969
  527    H    LEU  70           H        LEU  70 -10.930   1.527   4.567
  528    HA   LEU  70           HA       LEU  70  -8.235   1.789   3.693
  529   1HB   LEU  70          2HB       LEU  70  -9.666  -0.278   5.347
  530   2HB   LEU  70          1HB       LEU  70  -7.963  -0.413   4.952
  531    HG   LEU  70           HG       LEU  70  -9.225   1.847   6.516
  532   1HD1  LEU  70          1HD1      LEU  70  -9.154  -0.263   7.749
  533   2HD1  LEU  70          2HD1      LEU  70  -8.011   0.908   8.407
  534   3HD1  LEU  70          3HD1      LEU  70  -7.433  -0.414   7.393
  535   1HD2  LEU  70          1HD2      LEU  70  -6.339   1.273   5.854
  536   2HD2  LEU  70          2HD2      LEU  70  -6.920   2.552   6.919
  537   3HD2  LEU  70          3HD2      LEU  70  -7.312   2.591   5.200
  538    H    ALA  71           H        ALA  71 -10.933  -0.203   2.748
  539    HA   ALA  71           HA       ALA  71  -9.498  -2.132   1.258
  540   1HB   ALA  71          1HB       ALA  71 -12.337  -1.186   0.886
  541   2HB   ALA  71          2HB       ALA  71 -11.811  -2.459   1.987
  542   3HB   ALA  71          3HB       ALA  71 -11.641  -2.676   0.245
  543    H    ALA  72           H        ALA  72 -10.839   1.026   0.458
  544    HA   ALA  72           HA       ALA  72 -10.361   0.899  -2.327
  545   1HB   ALA  72          1HB       ALA  72 -10.671   3.304  -2.316
  546   2HB   ALA  72          2HB       ALA  72 -10.496   3.340  -0.562
  547   3HB   ALA  72          3HB       ALA  72 -11.879   2.526  -1.293
  548    H    MET  73           H        MET  73  -8.335   1.650   0.411
  549    HA   MET  73           HA       MET  73  -6.179   2.831  -0.984
  550   1HB   MET  73          2HB       MET  73  -6.115   1.163   1.542
  551   2HB   MET  73          1HB       MET  73  -4.806   2.182   0.963
  552   1HG   MET  73          2HG       MET  73  -7.525   3.094   1.867
  553   2HG   MET  73          1HG       MET  73  -6.009   3.270   2.747
  554   1HE   MET  73          1HE       MET  73  -6.364   5.818   3.111
  555   2HE   MET  73          2HE       MET  73  -7.927   5.717   2.300
  556   3HE   MET  73          3HE       MET  73  -6.768   6.961   1.829
  557    H    VAL  74           H        VAL  74  -6.891  -0.512  -0.070
  558    HA   VAL  74           HA       VAL  74  -4.596  -1.675  -1.240
  559    HB   VAL  74           HB       VAL  74  -7.279  -3.003  -0.810
  560   1HG1  VAL  74          1HG1      VAL  74  -5.952  -5.053  -0.624
  561   2HG1  VAL  74          2HG1      VAL  74  -4.488  -4.132  -0.970
  562   3HG1  VAL  74          3HG1      VAL  74  -5.746  -4.283  -2.197
  563   1HG2  VAL  74          1HG2      VAL  74  -4.970  -2.735   1.121
  564   2HG2  VAL  74          2HG2      VAL  74  -6.439  -3.672   1.391
  565   3HG2  VAL  74          3HG2      VAL  74  -6.528  -1.917   1.252
  566    H    ASP  75           H        ASP  75  -7.819  -0.951  -2.442
  567    HA   ASP  75           HA       ASP  75  -7.803  -2.237  -4.900
  568   1HB   ASP  75          2HB       ASP  75  -9.788  -1.137  -4.071
  569   2HB   ASP  75          1HB       ASP  75  -8.986   0.428  -4.088
  570    H    LYS  76           H        LYS  76  -6.519   0.949  -4.050
  571    HA   LYS  76           HA       LYS  76  -5.671   1.614  -6.668
  572   1HB   LYS  76          2HB       LYS  76  -4.642   2.655  -4.024
  573   2HB   LYS  76          1HB       LYS  76  -4.410   3.414  -5.594
  574   1HG   LYS  76          2HG       LYS  76  -6.894   3.619  -5.770
  575   2HG   LYS  76          1HG       LYS  76  -6.995   3.058  -4.100
  576   1HD   LYS  76          2HD       LYS  76  -5.600   4.951  -3.396
  577   2HD   LYS  76          1HD       LYS  76  -5.543   5.520  -5.066
  578   1HE   LYS  76          2HE       LYS  76  -7.948   5.319  -3.264
  579   2HE   LYS  76          1HE       LYS  76  -7.225   6.778  -3.939
  580   1HZ   LYS  76          1HZ       LYS  76  -7.810   5.866  -6.179
  581   2HZ   LYS  76          2HZ       LYS  76  -9.139   6.291  -5.218
  582   3HZ   LYS  76          3HZ       LYS  76  -8.710   4.661  -5.394
  583    H    ILE  77           H        ILE  77  -4.129  -0.013  -3.964
  584    HA   ILE  77           HA       ILE  77  -1.526  -0.171  -5.033
  585    HB   ILE  77           HB       ILE  77  -2.918  -2.119  -3.180
  586   1HG1  ILE  77          2HG1      ILE  77  -1.075   0.207  -2.578
  587   2HG1  ILE  77          1HG1      ILE  77  -2.816   0.198  -2.324
  588   1HG2  ILE  77          1HG2      ILE  77   0.023  -1.746  -3.757
  589   2HG2  ILE  77          2HG2      ILE  77  -0.964  -3.127  -4.233
  590   3HG2  ILE  77          3HG2      ILE  77  -0.655  -2.813  -2.525
  591   1HD1  ILE  77          1HD1      ILE  77  -0.826  -1.577  -0.933
  592   2HD1  ILE  77          2HD1      ILE  77  -2.570  -1.586  -0.678
  593   3HD1  ILE  77          3HD1      ILE  77  -1.621  -0.162  -0.244
  594    H    VAL  78           H        VAL  78  -4.338  -2.310  -5.297
  595    HA   VAL  78           HA       VAL  78  -3.131  -4.334  -6.832
  596    HB   VAL  78           HB       VAL  78  -6.021  -3.446  -6.850
  597   1HG1  VAL  78          1HG1      VAL  78  -6.511  -5.716  -7.649
  598   2HG1  VAL  78          2HG1      VAL  78  -4.782  -6.052  -7.743
  599   3HG1  VAL  78          3HG1      VAL  78  -5.500  -4.827  -8.790
  600   1HG2  VAL  78          1HG2      VAL  78  -4.639  -5.580  -5.224
  601   2HG2  VAL  78          2HG2      VAL  78  -6.371  -5.247  -5.228
  602   3HG2  VAL  78          3HG2      VAL  78  -5.242  -4.039  -4.616
  603    H    ALA  79           H        ALA  79  -4.863  -1.385  -7.774
  604    HA   ALA  79           HA       ALA  79  -4.807  -1.721 -10.544
  605   1HB   ALA  79          1HB       ALA  79  -4.649   0.859  -8.987
  606   2HB   ALA  79          2HB       ALA  79  -6.120   0.014  -9.468
  607   3HB   ALA  79          3HB       ALA  79  -5.065   0.713 -10.696
  608    H    HIS  80           H        HIS  80  -2.376  -0.299  -8.387
  609    HA   HIS  80           HA       HIS  80  -0.573   0.435 -10.480
  610   1HB   HIS  80          2HB       HIS  80  -0.729   1.271  -8.007
  611   2HB   HIS  80          1HB       HIS  80   0.301  -0.114  -7.663
  612    HD1  HIS  80           1HD      HIS  80   2.771   0.031  -8.394
  613    HD2  HIS  80           2HD      HIS  80   0.488   3.338  -9.471
  614    HE1  HIS  80           1HE      HIS  80   4.420   1.806  -9.061
  615    HE2  HIS  80           2HE      HIS  80   3.021   3.866  -9.466
  616    H    ASN  81           H        ASN  81  -0.971  -2.351  -8.394
  617    HA   ASN  81           HA       ASN  81   1.361  -3.770  -9.023
  618   1HB   ASN  81          2HB       ASN  81  -0.161  -4.347  -7.158
  619   2HB   ASN  81          1HB       ASN  81  -1.365  -4.887  -8.322
  620   1HD2  ASN  81          1HD2      ASN  81  -1.411  -6.991  -7.653
  621   2HD2  ASN  81          2HD2      ASN  81  -0.089  -8.083  -7.853
  622    H    LEU  82           H        LEU  82  -1.678  -3.463 -10.715
  623    HA   LEU  82           HA       LEU  82  -1.567  -5.602 -12.468
  624   1HB   LEU  82          2HB       LEU  82  -3.396  -3.880 -12.166
  625   2HB   LEU  82          1HB       LEU  82  -2.472  -2.832 -13.216
  626    HG   LEU  82           HG       LEU  82  -2.649  -4.500 -15.027
  627   1HD1  LEU  82          1HD1      LEU  82  -4.448  -5.963 -13.099
  628   2HD1  LEU  82          2HD1      LEU  82  -2.878  -6.512 -13.688
  629   3HD1  LEU  82          3HD1      LEU  82  -4.234  -6.354 -14.804
  630   1HD2  LEU  82          1HD2      LEU  82  -4.251  -2.678 -14.901
  631   2HD2  LEU  82          2HD2      LEU  82  -5.284  -3.640 -13.842
  632   3HD2  LEU  82          3HD2      LEU  82  -5.018  -4.143 -15.511
  633    H    SER  83           H        SER  83   0.190  -2.583 -12.530
  634    HA   SER  83           HA       SER  83   1.240  -2.796 -15.142
  635   1HB   SER  83          2HB       SER  83   1.316  -0.722 -13.763
  636   2HB   SER  83          1HB       SER  83   2.531  -1.482 -12.736
  637    HG   SER  83           HG       SER  83   3.816  -0.544 -14.145
  638    H    LYS  84           H        LYS  84   2.409  -3.997 -12.020
  639    HA   LYS  84           HA       LYS  84   4.786  -5.187 -13.044
  640   1HB   LYS  84          2HB       LYS  84   3.154  -5.697 -10.555
  641   2HB   LYS  84          1HB       LYS  84   4.626  -6.589 -10.920
  642   1HG   LYS  84          2HG       LYS  84   5.939  -4.595 -10.818
  643   2HG   LYS  84          1HG       LYS  84   4.494  -3.592 -10.685
  644   1HD   LYS  84          2HD       LYS  84   5.635  -3.905  -8.526
  645   2HD   LYS  84          1HD       LYS  84   3.989  -4.535  -8.522
  646   1HE   LYS  84          2HE       LYS  84   5.547  -6.052  -7.387
  647   2HE   LYS  84          1HE       LYS  84   4.827  -6.800  -8.809
  648   1HZ   LYS  84          1HZ       LYS  84   7.453  -5.465  -9.000
  649   2HZ   LYS  84          2HZ       LYS  84   6.806  -6.705  -9.966
  650   3HZ   LYS  84          3HZ       LYS  84   7.334  -7.045  -8.393
  651    H    VAL  85           H        VAL  85   1.458  -6.171 -12.721
  652    HA   VAL  85           HA       VAL  85   1.815  -8.927 -13.311
  653    HB   VAL  85           HB       VAL  85  -0.626  -7.171 -13.648
  654   1HG1  VAL  85          1HG1      VAL  85  -0.413 -10.178 -13.669
  655   2HG1  VAL  85          2HG1      VAL  85  -0.825  -9.151 -15.043
  656   3HG1  VAL  85          3HG1      VAL  85  -1.916  -9.255 -13.660
  657   1HG2  VAL  85          1HG2      VAL  85   0.191  -7.304 -11.351
  658   2HG2  VAL  85          2HG2      VAL  85   0.157  -9.065 -11.437
  659   3HG2  VAL  85          3HG2      VAL  85  -1.347  -8.149 -11.530
  660    H    ARG  86           H        ARG  86   1.172  -6.085 -15.313
  661    HA   ARG  86           HA       ARG  86   0.858  -7.615 -17.722
  662   1HB   ARG  86          2HB       ARG  86   0.613  -5.517 -18.843
  663   2HB   ARG  86          1HB       ARG  86  -0.222  -5.397 -17.307
  664   1HG   ARG  86          2HG       ARG  86   1.527  -4.075 -16.370
  665   2HG   ARG  86          1HG       ARG  86   2.541  -4.331 -17.791
  666   1HD   ARG  86          2HD       ARG  86   0.950  -3.115 -19.170
  667   2HD   ARG  86          1HD       ARG  86  -0.118  -2.908 -17.783
  668    HE   ARG  86           HE       ARG  86   1.489  -1.410 -16.830
  669   1HH1  ARG  86          1HH1      ARG  86   2.203  -2.388 -20.118
  670   2HH1  ARG  86          2HH1      ARG  86   3.151  -0.971 -20.472
  671   1HH2  ARG  86          1HH2      ARG  86   2.745   0.461 -17.281
  672   2HH2  ARG  86          2HH2      ARG  86   3.477   0.628 -18.851
  673    H    LEU  87           H        LEU  87   3.484  -6.319 -15.976
  674    HA   LEU  87           HA       LEU  87   5.281  -6.255 -18.244
  675   1HB   LEU  87          2HB       LEU  87   5.483  -4.545 -16.542
  676   2HB   LEU  87          1HB       LEU  87   5.709  -5.761 -15.299
  677    HG   LEU  87           HG       LEU  87   7.817  -6.440 -16.413
  678   1HD1  LEU  87          1HD1      LEU  87   8.806  -4.935 -18.071
  679   2HD1  LEU  87          2HD1      LEU  87   7.313  -3.997 -18.102
  680   3HD1  LEU  87          3HD1      LEU  87   7.316  -5.669 -18.663
  681   1HD2  LEU  87          1HD2      LEU  87   7.634  -3.546 -15.601
  682   2HD2  LEU  87          2HD2      LEU  87   9.114  -4.504 -15.668
  683   3HD2  LEU  87          3HD2      LEU  87   7.845  -4.919 -14.516
  684    H    GLU  88           H        GLU  88   5.068  -8.023 -15.158
  685    HA   GLU  88           HA       GLU  88   7.254  -9.739 -15.883
  686   1HB   GLU  88          2HB       GLU  88   5.366  -9.773 -13.526
  687   2HB   GLU  88          1HB       GLU  88   6.739 -10.856 -13.711
  688   1HG   GLU  88          2HG       GLU  88   8.274  -9.014 -13.656
  689   2HG   GLU  88          1HG       GLU  88   6.946  -7.857 -13.650
  690    H    HIS  89           H        HIS  89   7.028 -11.238 -17.321
  691    HA   HIS  89           HA       HIS  89   6.339 -13.079 -18.439
  692   1HB   HIS  89          2HB       HIS  89   6.007 -13.916 -16.037
  693   2HB   HIS  89          1HB       HIS  89   4.292 -13.614 -16.296
  694    HD1  HIS  89           1HD      HIS  89   3.879 -16.197 -16.027
  695    HD2  HIS  89           2HD      HIS  89   6.232 -15.123 -19.288
  696    HE1  HIS  89           1HE      HIS  89   3.979 -18.238 -17.498
  697    HE2  HIS  89           2HE      HIS  89   5.526 -17.612 -19.390
  698    H    HIS  90           H        HIS  90   4.774 -10.395 -18.298
  699    HA   HIS  90           HA       HIS  90   3.422  -9.394 -19.809
  700   1HB   HIS  90          2HB       HIS  90   3.127 -12.161 -20.973
  701   2HB   HIS  90          1HB       HIS  90   2.421 -10.714 -21.682
  702    HD1  HIS  90           1HD      HIS  90   5.209 -12.801 -22.128
  703    HD2  HIS  90           2HD      HIS  90   4.702  -8.672 -22.028
  704    HE1  HIS  90           1HE      HIS  90   7.220 -11.840 -23.298
  705    HE2  HIS  90           2HE      HIS  90   6.966  -9.338 -23.088
  706    H    HIS  91           H        HIS  91   1.997 -12.441 -18.597
  707    HA   HIS  91           HA       HIS  91  -0.263 -11.008 -17.578
  708   1HB   HIS  91          2HB       HIS  91  -1.999 -11.899 -18.969
  709   2HB   HIS  91          1HB       HIS  91  -0.809 -11.155 -20.024
  710    HD1  HIS  91           1HD      HIS  91  -2.942 -13.507 -20.656
  711    HD2  HIS  91           2HD      HIS  91   1.179 -13.877 -20.205
  712    HE1  HIS  91           1HE      HIS  91  -2.307 -15.601 -21.903
  713    HE2  HIS  91           2HE      HIS  91   0.174 -15.860 -21.535
  714    H    HIS  92           H        HIS  92  -1.949 -12.543 -16.693
  715    HA   HIS  92           HA       HIS  92  -0.767 -15.143 -15.969
  716   1HB   HIS  92          2HB       HIS  92  -2.233 -13.239 -14.132
  717   2HB   HIS  92          1HB       HIS  92  -1.829 -14.898 -13.717
  718    HD1  HIS  92           1HD      HIS  92  -0.701 -11.692 -12.992
  719    HD2  HIS  92           2HD      HIS  92   1.237 -15.169 -14.183
  720    HE1  HIS  92           1HE      HIS  92   1.698 -11.406 -12.283
  721    HE2  HIS  92           2HE      HIS  92   2.782 -13.624 -12.793
  722    H    HIS  93           H        HIS  93  -2.017 -16.689 -16.775
  723    HA   HIS  93           HA       HIS  93  -4.764 -16.176 -17.496
  724   1HB   HIS  93          2HB       HIS  93  -3.331 -17.509 -18.972
  725   2HB   HIS  93          1HB       HIS  93  -3.086 -18.691 -17.693
  726    HD1  HIS  93           1HD      HIS  93  -5.609 -17.524 -20.207
  727    HD2  HIS  93           2HD      HIS  93  -5.177 -20.513 -17.341
  728    HE1  HIS  93           1HE      HIS  93  -7.475 -19.153 -20.632
  729    HE2  HIS  93           2HE      HIS  93  -7.192 -20.964 -18.905
  730    H    HIS  94           H        HIS  94  -6.562 -16.851 -16.460
  731    HA   HIS  94           HA       HIS  94  -6.210 -18.349 -13.950
  732   1HB   HIS  94          2HB       HIS  94  -8.425 -16.555 -14.945
  733   2HB   HIS  94          1HB       HIS  94  -8.643 -17.630 -13.569
  734    HD1  HIS  94           1HD      HIS  94  -9.081 -14.949 -12.729
  735    HD2  HIS  94           2HD      HIS  94  -5.199 -16.393 -13.090
  736    HE1  HIS  94           1HE      HIS  94  -7.663 -13.444 -11.298
  737    HE2  HIS  94           2HE      HIS  94  -5.385 -14.515 -11.322
  Start of MODEL   12
    1   1H    MET   1          1HT       MET   1  -2.283  18.221   4.546
    2   2H    MET   1          2HT       MET   1  -2.040  16.627   5.067
    3   3H    MET   1          3HT       MET   1  -0.838  17.420   4.179
    4    HA   MET   1           HA       MET   1  -0.532  19.008   5.955
    5   1HB   MET   1          2HB       MET   1  -2.615  17.306   7.312
    6   2HB   MET   1          1HB       MET   1  -1.529  18.371   8.198
    7   1HG   MET   1          2HG       MET   1  -2.382  20.280   6.935
    8   2HG   MET   1          1HG       MET   1  -3.486  19.210   6.072
    9   1HE   MET   1          1HE       MET   1  -5.742  21.365   8.522
   10   2HE   MET   1          2HE       MET   1  -5.337  21.041   6.836
   11   3HE   MET   1          3HE       MET   1  -4.200  21.911   7.863
   12    H    TYR   2           H        TYR   2  -0.790  15.492   5.865
   13    HA   TYR   2           HA       TYR   2   1.408  14.949   7.535
   14   1HB   TYR   2          2HB       TYR   2   0.249  13.491   5.180
   15   2HB   TYR   2          1HB       TYR   2   1.688  12.899   5.997
   16    HD1  TYR   2           2HD      TYR   2   1.533  12.471   8.504
   17    HD2  TYR   2           1HD      TYR   2  -1.896  12.971   6.038
   18    HE1  TYR   2           2HE      TYR   2   0.152  11.380  10.218
   19    HE2  TYR   2           1HE      TYR   2  -3.293  11.888   7.753
   20    HH   TYR   2           HH       TYR   2  -2.960  10.266   9.679
   21    H    THR   3           H        THR   3   3.255  15.904   7.367
   22    HA   THR   3           HA       THR   3   4.143  17.031   4.851
   23    HB   THR   3           HB       THR   3   5.885  18.098   6.361
   24    HG1  THR   3           1HG      THR   3   4.701  17.929   8.671
   25   1HG2  THR   3          1HG2      THR   3   3.859  19.285   5.660
   26   2HG2  THR   3          2HG2      THR   3   4.301  19.705   7.315
   27   3HG2  THR   3          3HG2      THR   3   2.975  18.582   7.014
   28    H    ALA   4           H        ALA   4   6.727  17.193   4.883
   29    HA   ALA   4           HA       ALA   4   7.789  14.700   4.203
   30   1HB   ALA   4          1HB       ALA   4   9.952  15.818   4.180
   31   2HB   ALA   4          2HB       ALA   4   9.274  17.176   5.075
   32   3HB   ALA   4          3HB       ALA   4   8.717  16.835   3.436
   33    H    GLU   5           H        GLU   5   7.684  16.389   7.273
   34    HA   GLU   5           HA       GLU   5   9.470  14.747   8.699
   35   1HB   GLU   5          2HB       GLU   5   8.570  16.919   9.538
   36   2HB   GLU   5          1HB       GLU   5   6.994  16.162   9.733
   37   1HG   GLU   5          2HG       GLU   5   8.221  14.480  11.228
   38   2HG   GLU   5          1HG       GLU   5   9.515  15.673  11.258
   39    H    GLN   6           H        GLN   6   5.966  14.629   8.220
   40    HA   GLN   6           HA       GLN   6   5.535  12.382   9.863
   41   1HB   GLN   6          2HB       GLN   6   3.876  13.725   7.752
   42   2HB   GLN   6          1HB       GLN   6   3.314  12.280   8.584
   43   1HG   GLN   6          2HG       GLN   6   4.100  14.862   9.922
   44   2HG   GLN   6          1HG       GLN   6   2.448  14.336   9.592
   45   1HE2  GLN   6          1HE2      GLN   6   3.817  14.911  12.140
   46   2HE2  GLN   6          2HE2      GLN   6   3.642  13.468  13.081
   47    H    LYS   7           H        LYS   7   5.970  12.663   6.340
   48    HA   LYS   7           HA       LYS   7   5.396   9.966   5.790
   49   1HB   LYS   7          2HB       LYS   7   6.432  10.274   3.642
   50   2HB   LYS   7          1HB       LYS   7   5.521  11.720   4.043
   51   1HG   LYS   7          2HG       LYS   7   7.529  12.915   4.559
   52   2HG   LYS   7          1HG       LYS   7   8.498  11.447   4.397
   53   1HD   LYS   7          2HD       LYS   7   6.946  12.813   2.193
   54   2HD   LYS   7          1HD       LYS   7   8.698  12.843   2.403
   55   1HE   LYS   7          2HE       LYS   7   8.733  10.383   2.146
   56   2HE   LYS   7          1HE       LYS   7   6.997  10.414   1.847
   57   1HZ   LYS   7          1HZ       LYS   7   8.192  10.314  -0.223
   58   2HZ   LYS   7          2HZ       LYS   7   9.092  11.697   0.176
   59   3HZ   LYS   7          3HZ       LYS   7   7.425  11.823  -0.101
   60    H    ALA   8           H        ALA   8   8.330  11.540   6.879
   61    HA   ALA   8           HA       ALA   8  10.038   9.274   6.533
   62   1HB   ALA   8          1HB       ALA   8  10.922  11.564   6.724
   63   2HB   ALA   8          2HB       ALA   8  11.612  10.491   7.941
   64   3HB   ALA   8          3HB       ALA   8  10.349  11.638   8.391
   65    H    ARG   9           H        ARG   9   8.147  10.578   9.212
   66    HA   ARG   9           HA       ARG   9   8.872   8.678  11.158
   67   1HB   ARG   9          2HB       ARG   9   6.285  10.220  10.826
   68   2HB   ARG   9          1HB       ARG   9   6.759   9.349  12.280
   69   1HG   ARG   9          2HG       ARG   9   8.565  10.825  12.687
   70   2HG   ARG   9          1HG       ARG   9   8.402  11.563  11.093
   71   1HD   ARG   9          2HD       ARG   9   7.495  13.017  12.823
   72   2HD   ARG   9          1HD       ARG   9   6.226  12.468  11.730
   73    HE   ARG   9           HE       ARG   9   5.976  10.686  13.661
   74   1HH1  ARG   9          1HH1      ARG   9   6.430  14.162  13.880
   75   2HH1  ARG   9          2HH1      ARG   9   5.603  14.285  15.406
   76   1HH2  ARG   9          1HH2      ARG   9   4.870  10.851  15.622
   77   2HH2  ARG   9          2HH2      ARG   9   4.694  12.406  16.396
   78    H    ILE  10           H        ILE  10   6.493   8.668   8.599
   79    HA   ILE  10           HA       ILE  10   5.203   6.240   9.232
   80    HB   ILE  10           HB       ILE  10   5.593   7.597   6.558
   81   1HG1  ILE  10          2HG1      ILE  10   3.208   7.478   8.417
   82   2HG1  ILE  10          1HG1      ILE  10   4.280   8.860   8.230
   83   1HG2  ILE  10          1HG2      ILE  10   5.192   5.225   6.209
   84   2HG2  ILE  10          2HG2      ILE  10   3.774   6.163   5.742
   85   3HG2  ILE  10          3HG2      ILE  10   3.787   5.289   7.273
   86   1HD1  ILE  10          1HD1      ILE  10   2.526   7.691   6.087
   87   2HD1  ILE  10          2HD1      ILE  10   3.594   9.081   5.903
   88   3HD1  ILE  10          3HD1      ILE  10   2.213   9.169   6.998
   89    H    LYS  11           H        LYS  11   8.051   6.972   7.233
   90    HA   LYS  11           HA       LYS  11   8.526   4.412   6.240
   91   1HB   LYS  11          2HB       LYS  11   9.744   6.759   5.843
   92   2HB   LYS  11          1HB       LYS  11  10.889   6.072   6.985
   93   1HG   LYS  11          2HG       LYS  11  10.023   4.707   4.439
   94   2HG   LYS  11          1HG       LYS  11  11.467   5.706   4.584
   95   1HD   LYS  11          2HD       LYS  11  12.528   4.175   5.996
   96   2HD   LYS  11          1HD       LYS  11  11.015   3.377   6.420
   97   1HE   LYS  11          2HE       LYS  11  12.239   1.924   4.968
   98   2HE   LYS  11          1HE       LYS  11  10.863   2.559   4.070
   99   1HZ   LYS  11          1HZ       LYS  11  12.829   2.596   2.706
  100   2HZ   LYS  11          2HZ       LYS  11  13.680   3.489   3.868
  101   3HZ   LYS  11          3HZ       LYS  11  12.371   4.194   3.051
  102    H    TRP  12           H        TRP  12   9.379   5.826   9.367
  103    HA   TRP  12           HA       TRP  12  11.013   3.769  10.334
  104   1HB   TRP  12          2HB       TRP  12   9.112   5.596  11.791
  105   2HB   TRP  12          1HB       TRP  12  10.118   4.434  12.624
  106    HD1  TRP  12           HD       TRP  12  10.378   7.718  10.634
  107    HE1  TRP  12           1HE      TRP  12  12.672   8.776  11.161
  108    HE3  TRP  12           3HE      TRP  12  12.361   3.918  13.328
  109    HZ2  TRP  12           2HZ      TRP  12  15.032   8.052  12.558
  110    HZ3  TRP  12           3HZ      TRP  12  14.646   4.145  14.244
  111    HH2  TRP  12           HH       TRP  12  15.953   6.178  13.864
  112    H    ALA  13           H        ALA  13   7.523   3.938  10.025
  113    HA   ALA  13           HA       ALA  13   7.265   1.294  11.282
  114   1HB   ALA  13          1HB       ALA  13   5.138   3.331  10.620
  115   2HB   ALA  13          2HB       ALA  13   5.835   3.050  12.215
  116   3HB   ALA  13          3HB       ALA  13   4.871   1.793  11.440
  117    H    CYS  14           H        CYS  14   8.421   1.444   8.749
  118    HA   CYS  14           HA       CYS  14   6.667   1.137   6.585
  119   1HB   CYS  14          2HB       CYS  14   8.656  -0.133   5.568
  120   2HB   CYS  14          1HB       CYS  14   8.915   1.542   6.043
  121    HG   CYS  14           HG       CYS  14  10.577   1.116   8.043
  122    H    ARG  15           H        ARG  15   7.577  -1.049   9.089
  123    HA   ARG  15           HA       ARG  15   6.718  -3.039   9.748
  124   1HB   ARG  15          2HB       ARG  15   4.961  -2.794   7.305
  125   2HB   ARG  15          1HB       ARG  15   4.830  -4.079   8.496
  126   1HG   ARG  15          2HG       ARG  15   4.426  -1.138   9.007
  127   2HG   ARG  15          1HG       ARG  15   3.162  -2.363   8.877
  128   1HD   ARG  15          2HD       ARG  15   4.026  -3.497  10.838
  129   2HD   ARG  15          1HD       ARG  15   5.359  -2.350  10.942
  130    HE   ARG  15           HE       ARG  15   2.987  -0.894  11.007
  131   1HH1  ARG  15          1HH1      ARG  15   4.600  -3.319  12.951
  132   2HH1  ARG  15          2HH1      ARG  15   3.987  -2.712  14.458
  133   1HH2  ARG  15          1HH2      ARG  15   2.207  -0.070  12.995
  134   2HH2  ARG  15          2HH2      ARG  15   2.620  -0.860  14.483
  135    H    ARG  16           H        ARG  16   6.681  -5.359   9.135
  136    HA   ARG  16           HA       ARG  16   8.663  -5.872   7.008
  137   1HB   ARG  16          2HB       ARG  16   8.451  -7.428   9.584
  138   2HB   ARG  16          1HB       ARG  16   9.730  -7.515   8.384
  139   1HG   ARG  16          2HG       ARG  16   9.147  -5.154  10.168
  140   2HG   ARG  16          1HG       ARG  16  10.449  -6.328  10.384
  141   1HD   ARG  16          2HD       ARG  16  11.531  -5.619   8.398
  142   2HD   ARG  16          1HD       ARG  16  10.138  -4.656   7.904
  143    HE   ARG  16           HE       ARG  16  11.006  -3.692  10.377
  144   1HH1  ARG  16          1HH1      ARG  16  12.164  -3.889   7.081
  145   2HH1  ARG  16          2HH1      ARG  16  13.131  -2.453   7.203
  146   1HH2  ARG  16          1HH2      ARG  16  12.260  -1.797  10.533
  147   2HH2  ARG  16          2HH2      ARG  16  13.175  -1.264   9.157
  148    H    GLY  17           H        GLY  17   7.606  -6.893   5.436
  149   1HA   GLY  17          2HA       GLY  17   5.910  -9.177   6.199
  150   2HA   GLY  17          1HA       GLY  17   5.336  -8.000   5.024
  151    H    MET  18           H        MET  18   7.208  -7.572   3.286
  152    HA   MET  18           HA       MET  18   8.660  -9.911   2.494
  153   1HB   MET  18          2HB       MET  18   6.433 -10.643   1.836
  154   2HB   MET  18          1HB       MET  18   6.155  -9.136   0.981
  155   1HG   MET  18          2HG       MET  18   6.655 -11.010  -0.513
  156   2HG   MET  18          1HG       MET  18   7.820  -9.695  -0.656
  157   1HE   MET  18          1HE       MET  18   9.432 -11.408  -1.991
  158   2HE   MET  18          2HE       MET  18   8.238 -12.686  -1.774
  159   3HE   MET  18          3HE       MET  18   9.922 -12.969  -1.331
  160    H    LEU  19           H        LEU  19  10.183  -9.424   0.931
  161    HA   LEU  19           HA       LEU  19  10.939  -6.743   0.657
  162   1HB   LEU  19          2HB       LEU  19  11.772  -9.122  -1.000
  163   2HB   LEU  19          1HB       LEU  19  12.612  -7.590  -0.923
  164    HG   LEU  19           HG       LEU  19  12.292  -9.559   1.338
  165   1HD1  LEU  19          1HD1      LEU  19  13.901 -10.258  -0.352
  166   2HD1  LEU  19          2HD1      LEU  19  14.712  -9.804   1.147
  167   3HD1  LEU  19          3HD1      LEU  19  14.720  -8.700  -0.228
  168   1HD2  LEU  19          1HD2      LEU  19  12.235  -7.283   2.184
  169   2HD2  LEU  19          2HD2      LEU  19  13.695  -6.892   1.277
  170   3HD2  LEU  19          3HD2      LEU  19  13.764  -8.058   2.598
  171    H    GLU  20           H        GLU  20   9.168  -8.893  -1.504
  172    HA   GLU  20           HA       GLU  20   9.009  -7.161  -3.718
  173   1HB   GLU  20          2HB       GLU  20   7.235  -9.390  -2.750
  174   2HB   GLU  20          1HB       GLU  20   6.905  -8.502  -4.231
  175   1HG   GLU  20          2HG       GLU  20   9.427 -10.033  -3.653
  176   2HG   GLU  20          1HG       GLU  20   8.078 -10.610  -4.625
  177    H    LEU  21           H        LEU  21   7.013  -7.552  -0.853
  178    HA   LEU  21           HA       LEU  21   4.882  -5.896  -1.730
  179   1HB   LEU  21          2HB       LEU  21   4.923  -7.755   0.073
  180   2HB   LEU  21          1HB       LEU  21   5.531  -6.511   1.144
  181    HG   LEU  21           HG       LEU  21   2.992  -5.969  -0.326
  182   1HD1  LEU  21          1HD1      LEU  21   1.714  -7.113   1.417
  183   2HD1  LEU  21          2HD1      LEU  21   3.213  -7.743   2.102
  184   3HD1  LEU  21          3HD1      LEU  21   2.699  -8.246   0.491
  185   1HD2  LEU  21          1HD2      LEU  21   2.446  -4.822   1.768
  186   2HD2  LEU  21          2HD2      LEU  21   3.972  -4.242   1.094
  187   3HD2  LEU  21          3HD2      LEU  21   3.978  -5.359   2.459
  188    H    ASP  22           H        ASP  22   7.793  -5.374   0.176
  189    HA   ASP  22           HA       ASP  22   7.285  -2.826   1.183
  190   1HB   ASP  22          2HB       ASP  22   9.184  -4.131   1.932
  191   2HB   ASP  22          1HB       ASP  22   9.900  -4.083   0.325
  192    H    VAL  23           H        VAL  23   8.676  -3.788  -1.924
  193    HA   VAL  23           HA       VAL  23   9.319  -1.189  -2.824
  194    HB   VAL  23           HB       VAL  23   8.726  -3.633  -4.505
  195   1HG1  VAL  23          1HG1      VAL  23   8.760  -1.590  -5.820
  196   2HG1  VAL  23          2HG1      VAL  23  10.187  -2.567  -6.164
  197   3HG1  VAL  23          3HG1      VAL  23  10.319  -1.149  -5.123
  198   1HG2  VAL  23          1HG2      VAL  23  10.428  -4.129  -2.853
  199   2HG2  VAL  23          2HG2      VAL  23  11.326  -2.683  -3.314
  200   3HG2  VAL  23          3HG2      VAL  23  11.151  -4.014  -4.458
  201    H    VAL  24           H        VAL  24   6.342  -2.912  -2.675
  202    HA   VAL  24           HA       VAL  24   5.080  -1.161  -4.643
  203    HB   VAL  24           HB       VAL  24   3.701  -3.304  -3.027
  204   1HG1  VAL  24          1HG1      VAL  24   2.174  -3.368  -4.940
  205   2HG1  VAL  24          2HG1      VAL  24   3.117  -2.106  -5.735
  206   3HG1  VAL  24          3HG1      VAL  24   2.256  -1.752  -4.238
  207   1HG2  VAL  24          1HG2      VAL  24   4.125  -4.858  -4.858
  208   2HG2  VAL  24          2HG2      VAL  24   5.632  -4.324  -4.113
  209   3HG2  VAL  24          3HG2      VAL  24   5.125  -3.650  -5.662
  210    H    ILE  25           H        ILE  25   5.937  -0.887  -1.516
  211    HA   ILE  25           HA       ILE  25   3.479   0.497  -0.690
  212    HB   ILE  25           HB       ILE  25   5.846  -0.394   0.965
  213   1HG1  ILE  25          2HG1      ILE  25   4.371  -2.225   0.270
  214   2HG1  ILE  25          1HG1      ILE  25   4.242  -1.936   2.000
  215   1HG2  ILE  25          1HG2      ILE  25   3.334   1.042   1.820
  216   2HG2  ILE  25          2HG2      ILE  25   4.980   1.674   1.865
  217   3HG2  ILE  25          3HG2      ILE  25   4.522   0.333   2.915
  218   1HD1  ILE  25          1HD1      ILE  25   2.156  -0.739   1.659
  219   2HD1  ILE  25          2HD1      ILE  25   2.070  -2.372   0.996
  220   3HD1  ILE  25          3HD1      ILE  25   2.288  -0.992  -0.082
  221    H    MET  26           H        MET  26   7.007   0.998  -0.329
  222    HA   MET  26           HA       MET  26   6.610   3.681   0.494
  223   1HB   MET  26          2HB       MET  26   8.516   2.258   1.221
  224   2HB   MET  26          1HB       MET  26   9.194   2.411  -0.395
  225   1HG   MET  26          2HG       MET  26  10.230   3.943   1.209
  226   2HG   MET  26          1HG       MET  26   9.436   4.789  -0.118
  227   1HE   MET  26          1HE       MET  26   8.979   3.612   3.640
  228   2HE   MET  26          2HE       MET  26   7.520   3.074   2.809
  229   3HE   MET  26          3HE       MET  26   7.426   4.357   4.015
  230    HA   PRO  27           HA       PRO  27   8.315   4.980  -3.866
  231   1HB   PRO  27          2HB       PRO  27   7.729   2.568  -5.482
  232   2HB   PRO  27          1HB       PRO  27   9.143   3.628  -5.511
  233   1HG   PRO  27          2HG       PRO  27   9.284   1.174  -4.467
  234   2HG   PRO  27          1HG       PRO  27  10.165   2.535  -3.748
  235   1HD   PRO  27          2HD       PRO  27   7.606   1.253  -2.859
  236   2HD   PRO  27          1HD       PRO  27   8.981   1.816  -1.885
  237    H    PHE  28           H        PHE  28   5.646   2.726  -3.505
  238    HA   PHE  28           HA       PHE  28   3.960   3.934  -5.450
  239   1HB   PHE  28          2HB       PHE  28   3.499   1.666  -4.762
  240   2HB   PHE  28          1HB       PHE  28   3.323   2.165  -3.082
  241    HD1  PHE  28           1HD      PHE  28   1.858   2.812  -6.446
  242    HD2  PHE  28           2HD      PHE  28   1.215   2.559  -2.245
  243    HE1  PHE  28           1HE      PHE  28  -0.554   3.166  -6.794
  244    HE2  PHE  28           2HE      PHE  28  -1.192   2.913  -2.585
  245    HZ   PHE  28           HZ       PHE  28  -2.077   3.216  -4.862
  246    H    PHE  29           H        PHE  29   4.495   4.407  -2.006
  247    HA   PHE  29           HA       PHE  29   2.376   6.123  -1.427
  248   1HB   PHE  29          2HB       PHE  29   3.888   5.183   0.283
  249   2HB   PHE  29          1HB       PHE  29   5.193   6.204  -0.313
  250    HD1  PHE  29           1HD      PHE  29   1.863   6.265   1.298
  251    HD2  PHE  29           2HD      PHE  29   5.427   8.422   0.429
  252    HE1  PHE  29           1HE      PHE  29   1.155   8.045   2.841
  253    HE2  PHE  29           2HE      PHE  29   4.722  10.209   1.967
  254    HZ   PHE  29           HZ       PHE  29   2.585  10.022   3.175
  255    H    GLU  30           H        GLU  30   5.554   6.801  -2.805
  256    HA   GLU  30           HA       GLU  30   5.466   9.568  -2.899
  257   1HB   GLU  30          2HB       GLU  30   6.608   7.676  -4.959
  258   2HB   GLU  30          1HB       GLU  30   7.053   9.350  -4.741
  259   1HG   GLU  30          2HG       GLU  30   7.425   7.224  -2.714
  260   2HG   GLU  30          1HG       GLU  30   8.672   7.815  -3.787
  261    H    GLU  31           H        GLU  31   4.240   7.211  -5.235
  262    HA   GLU  31           HA       GLU  31   3.207   9.130  -7.073
  263   1HB   GLU  31          2HB       GLU  31   2.219   6.302  -6.728
  264   2HB   GLU  31          1HB       GLU  31   2.175   7.285  -8.181
  265   1HG   GLU  31          2HG       GLU  31   4.608   7.165  -8.342
  266   2HG   GLU  31          1HG       GLU  31   4.655   6.186  -6.876
  267    H    CYS  32           H        CYS  32   1.721   7.114  -4.570
  268    HA   CYS  32           HA       CYS  32  -0.940   7.863  -5.203
  269   1HB   CYS  32          2HB       CYS  32  -0.176   5.712  -4.120
  270   2HB   CYS  32          1HB       CYS  32   0.030   6.625  -2.629
  271    HG   CYS  32           HG       CYS  32  -2.363   5.059  -2.656
  272    H    PHE  33           H        PHE  33   1.443   9.100  -2.951
  273    HA   PHE  33           HA       PHE  33  -0.160  10.420  -1.119
  274   1HB   PHE  33          2HB       PHE  33   2.204  10.237  -0.756
  275   2HB   PHE  33          1HB       PHE  33   2.558  11.159  -2.210
  276    HD1  PHE  33           1HD      PHE  33   1.057  11.408   1.169
  277    HD2  PHE  33           2HD      PHE  33   2.776  13.481  -2.124
  278    HE1  PHE  33           1HE      PHE  33   1.129  13.468   2.509
  279    HE2  PHE  33           2HE      PHE  33   2.855  15.545  -0.789
  280    HZ   PHE  33           HZ       PHE  33   2.029  15.540   1.531
  281    H    ASP  34           H        ASP  34   0.783  11.432  -4.354
  282    HA   ASP  34           HA       ASP  34  -0.091  14.123  -4.103
  283   1HB   ASP  34          2HB       ASP  34   1.515  13.327  -5.839
  284   2HB   ASP  34          1HB       ASP  34   0.188  12.490  -6.638
  285    H    SER  35           H        SER  35  -1.756  11.173  -4.539
  286    HA   SER  35           HA       SER  35  -4.163  12.564  -5.498
  287   1HB   SER  35          2HB       SER  35  -3.585   9.592  -5.475
  288   2HB   SER  35          1HB       SER  35  -4.967  10.390  -6.225
  289    HG   SER  35           HG       SER  35  -2.243  10.494  -6.982
  290    H    LEU  36           H        LEU  36  -2.770  11.449  -2.696
  291    HA   LEU  36           HA       LEU  36  -5.217  10.447  -1.487
  292   1HB   LEU  36          2HB       LEU  36  -2.394  10.726  -0.486
  293   2HB   LEU  36          1HB       LEU  36  -3.717  10.265   0.565
  294    HG   LEU  36           HG       LEU  36  -2.815   8.720  -1.869
  295   1HD1  LEU  36          1HD1      LEU  36  -2.429   8.167   1.072
  296   2HD1  LEU  36          2HD1      LEU  36  -1.172   8.657  -0.062
  297   3HD1  LEU  36          3HD1      LEU  36  -1.969   7.095  -0.251
  298   1HD2  LEU  36          1HD2      LEU  36  -4.868   8.105   0.254
  299   2HD2  LEU  36          2HD2      LEU  36  -4.311   6.972  -0.978
  300   3HD2  LEU  36          3HD2      LEU  36  -5.183   8.432  -1.450
  301    H    THR  37           H        THR  37  -6.394  11.444   0.046
  302    HA   THR  37           HA       THR  37  -5.626  14.185   0.783
  303    HB   THR  37           HB       THR  37  -8.020  14.443   1.459
  304    HG1  THR  37           1HG      THR  37  -8.861  12.277  -0.040
  305   1HG2  THR  37          1HG2      THR  37  -8.925  14.563  -0.828
  306   2HG2  THR  37          2HG2      THR  37  -7.558  13.611  -1.409
  307   3HG2  THR  37          3HG2      THR  37  -7.289  15.219  -0.735
  308    H    GLU  38           H        GLU  38  -6.283  14.793   3.078
  309    HA   GLU  38           HA       GLU  38  -4.943  13.202   4.936
  310   1HB   GLU  38          2HB       GLU  38  -7.062  15.321   5.300
  311   2HB   GLU  38          1HB       GLU  38  -6.231  14.568   6.654
  312   1HG   GLU  38          2HG       GLU  38  -4.849  16.050   4.432
  313   2HG   GLU  38          1HG       GLU  38  -5.305  16.760   5.979
  314    H    SER  39           H        SER  39  -8.357  13.310   4.101
  315    HA   SER  39           HA       SER  39  -9.402  11.715   6.115
  316   1HB   SER  39          2HB       SER  39 -10.335  11.686   3.248
  317   2HB   SER  39          1HB       SER  39 -11.299  11.486   4.709
  318    HG   SER  39           HG       SER  39 -10.807  13.718   3.412
  319    H    GLU  40           H        GLU  40  -8.195  10.744   2.903
  320    HA   GLU  40           HA       GLU  40  -8.503   7.949   3.395
  321   1HB   GLU  40          2HB       GLU  40  -6.856   9.421   1.335
  322   2HB   GLU  40          1HB       GLU  40  -7.132   7.687   1.336
  323   1HG   GLU  40          2HG       GLU  40  -9.516   8.052   1.049
  324   2HG   GLU  40          1HG       GLU  40  -9.261   9.796   1.084
  325    H    GLN  41           H        GLN  41  -5.864  10.245   3.662
  326    HA   GLN  41           HA       GLN  41  -3.763   8.428   4.023
  327   1HB   GLN  41          2HB       GLN  41  -4.157  11.310   4.754
  328   2HB   GLN  41          1HB       GLN  41  -2.692  10.460   5.221
  329   1HG   GLN  41          2HG       GLN  41  -2.239   9.946   2.881
  330   2HG   GLN  41          1HG       GLN  41  -3.721  10.776   2.411
  331   1HE2  GLN  41          1HE2      GLN  41  -0.474  11.159   3.598
  332   2HE2  GLN  41          2HE2      GLN  41  -0.354  12.854   3.298
  333    H    ASP  42           H        ASP  42  -5.962   9.915   6.360
  334    HA   ASP  42           HA       ASP  42  -4.616   9.019   8.680
  335   1HB   ASP  42          2HB       ASP  42  -6.301  10.764   8.811
  336   2HB   ASP  42          1HB       ASP  42  -7.543   9.652   8.247
  337    H    ASP  43           H        ASP  43  -7.267   7.634   6.825
  338    HA   ASP  43           HA       ASP  43  -7.632   5.315   8.396
  339   1HB   ASP  43          2HB       ASP  43  -9.167   6.335   6.597
  340   2HB   ASP  43          1HB       ASP  43  -8.156   5.495   5.429
  341    H    PHE  44           H        PHE  44  -5.547   6.106   5.690
  342    HA   PHE  44           HA       PHE  44  -4.527   3.505   5.226
  343   1HB   PHE  44          2HB       PHE  44  -4.373   5.300   3.566
  344   2HB   PHE  44          1HB       PHE  44  -3.302   6.204   4.629
  345    HD1  PHE  44           2HD      PHE  44  -3.524   2.810   3.093
  346    HD2  PHE  44           1HD      PHE  44  -1.059   6.105   4.181
  347    HE1  PHE  44           2HE      PHE  44  -1.586   1.690   2.073
  348    HE2  PHE  44           1HE      PHE  44   0.885   4.992   3.162
  349    HZ   PHE  44           HZ       PHE  44   0.622   2.778   2.109
  350    H    VAL  45           H        VAL  45  -3.321   6.233   7.178
  351    HA   VAL  45           HA       VAL  45  -0.951   4.974   8.048
  352    HB   VAL  45           HB       VAL  45  -2.588   7.135   9.392
  353   1HG1  VAL  45          1HG1      VAL  45  -0.589   7.616  10.720
  354   2HG1  VAL  45          2HG1      VAL  45   0.211   6.207  10.024
  355   3HG1  VAL  45          3HG1      VAL  45  -1.207   5.998  11.052
  356   1HG2  VAL  45          1HG2      VAL  45  -1.673   7.766   7.217
  357   2HG2  VAL  45          2HG2      VAL  45  -0.066   7.272   7.745
  358   3HG2  VAL  45          3HG2      VAL  45  -0.867   8.637   8.521
  359    H    ALA  46           H        ALA  46  -4.218   5.058   9.423
  360    HA   ALA  46           HA       ALA  46  -3.695   3.572  11.746
  361   1HB   ALA  46          1HB       ALA  46  -6.211   3.684  10.086
  362   2HB   ALA  46          2HB       ALA  46  -5.785   4.765  11.413
  363   3HB   ALA  46          3HB       ALA  46  -6.100   3.058  11.730
  364    H    LEU  47           H        LEU  47  -4.262   2.598   8.441
  365    HA   LEU  47           HA       LEU  47  -4.558  -0.183   8.875
  366   1HB   LEU  47          2HB       LEU  47  -5.240   0.947   6.809
  367   2HB   LEU  47          1HB       LEU  47  -3.570   1.333   6.458
  368    HG   LEU  47           HG       LEU  47  -3.101  -1.112   6.288
  369   1HD1  LEU  47          1HD1      LEU  47  -5.005  -2.630   6.000
  370   2HD1  LEU  47          2HD1      LEU  47  -6.101  -1.329   6.470
  371   3HD1  LEU  47          3HD1      LEU  47  -4.932  -1.959   7.631
  372   1HD2  LEU  47          1HD2      LEU  47  -3.477   0.257   4.311
  373   2HD2  LEU  47          2HD2      LEU  47  -5.216  -0.002   4.445
  374   3HD2  LEU  47          3HD2      LEU  47  -4.147  -1.358   4.087
  375    H    LEU  48           H        LEU  48  -1.761   1.900   8.379
  376    HA   LEU  48           HA       LEU  48   0.089  -0.203   7.867
  377   1HB   LEU  48          2HB       LEU  48   0.553   2.649   8.721
  378   2HB   LEU  48          1HB       LEU  48   1.809   1.550   8.184
  379    HG   LEU  48           HG       LEU  48  -0.501   2.543   6.513
  380   1HD1  LEU  48          1HD1      LEU  48   1.169   4.262   6.953
  381   2HD1  LEU  48          2HD1      LEU  48   1.210   3.751   5.265
  382   3HD1  LEU  48          3HD1      LEU  48   2.442   3.180   6.389
  383   1HD2  LEU  48          1HD2      LEU  48   1.822   0.762   5.780
  384   2HD2  LEU  48          2HD2      LEU  48   0.647   1.432   4.648
  385   3HD2  LEU  48          3HD2      LEU  48   0.129   0.281   5.880
  386    H    GLU  49           H        GLU  49  -1.234   1.065  10.761
  387    HA   GLU  49           HA       GLU  49   0.952   0.114  12.399
  388   1HB   GLU  49          2HB       GLU  49  -1.673   1.417  13.045
  389   2HB   GLU  49          1HB       GLU  49  -0.658   0.718  14.298
  390   1HG   GLU  49          2HG       GLU  49   1.195   2.189  13.532
  391   2HG   GLU  49          1HG       GLU  49   0.060   2.961  12.427
  392    H    SER  50           H        SER  50  -1.716  -1.269  10.941
  393    HA   SER  50           HA       SER  50  -2.476  -3.097  12.985
  394   1HB   SER  50          2HB       SER  50  -2.916  -3.252   9.996
  395   2HB   SER  50          1HB       SER  50  -3.767  -4.202  11.215
  396    HG   SER  50           HG       SER  50  -4.959  -2.363  10.534
  397    H    ASP  51           H        ASP  51  -2.473  -5.553  12.299
  398    HA   ASP  51           HA       ASP  51   0.288  -6.383  12.096
  399   1HB   ASP  51          2HB       ASP  51  -1.382  -7.398  13.682
  400   2HB   ASP  51          1HB       ASP  51  -2.207  -8.086  12.289
  401    H    ASP  52           H        ASP  52  -1.486  -5.257   9.870
  402    HA   ASP  52           HA       ASP  52  -2.005  -5.498   7.685
  403   1HB   ASP  52          2HB       ASP  52   0.439  -7.255   7.530
  404   2HB   ASP  52          1HB       ASP  52  -0.231  -6.211   6.287
  405    HA   PRO  53           HA       PRO  53  -3.407  -9.945   7.906
  406   1HB   PRO  53          2HB       PRO  53  -5.921  -9.448   9.112
  407   2HB   PRO  53          1HB       PRO  53  -4.519 -10.200   9.870
  408   1HG   PRO  53          2HG       PRO  53  -5.625  -7.719  10.549
  409   2HG   PRO  53          1HG       PRO  53  -4.036  -8.323  11.044
  410   1HD   PRO  53          2HD       PRO  53  -4.749  -6.425   8.856
  411   2HD   PRO  53          1HD       PRO  53  -3.308  -6.468   9.896
  412    H    ASP  54           H        ASP  54  -5.894  -7.403   7.771
  413    HA   ASP  54           HA       ASP  54  -7.215  -8.537   5.521
  414   1HB   ASP  54          2HB       ASP  54  -8.489  -6.387   5.498
  415   2HB   ASP  54          1HB       ASP  54  -8.507  -7.205   7.052
  416    H    LEU  55           H        LEU  55  -4.758  -6.094   5.995
  417    HA   LEU  55           HA       LEU  55  -4.608  -5.087   3.386
  418   1HB   LEU  55          2HB       LEU  55  -3.432  -4.244   5.467
  419   2HB   LEU  55          1HB       LEU  55  -2.279  -5.541   5.255
  420    HG   LEU  55           HG       LEU  55  -2.739  -3.463   3.118
  421   1HD1  LEU  55          1HD1      LEU  55  -2.122  -2.316   5.185
  422   2HD1  LEU  55          2HD1      LEU  55  -0.814  -2.265   4.005
  423   3HD1  LEU  55          3HD1      LEU  55  -0.731  -3.384   5.364
  424   1HD2  LEU  55          1HD2      LEU  55  -0.494  -4.106   2.413
  425   2HD2  LEU  55          2HD2      LEU  55  -1.567  -5.506   2.436
  426   3HD2  LEU  55          3HD2      LEU  55  -0.399  -5.268   3.737
  427    H    PHE  56           H        PHE  56  -2.850  -7.801   4.907
  428    HA   PHE  56           HA       PHE  56  -1.455  -8.596   2.595
  429   1HB   PHE  56          2HB       PHE  56  -1.012  -9.273   5.018
  430   2HB   PHE  56          1HB       PHE  56  -2.328 -10.419   4.837
  431    HD1  PHE  56           2HD      PHE  56   0.835  -9.436   3.130
  432    HD2  PHE  56           1HD      PHE  56  -1.833 -12.572   4.213
  433    HE1  PHE  56           2HE      PHE  56   2.398 -11.088   2.189
  434    HE2  PHE  56           1HE      PHE  56  -0.274 -14.229   3.275
  435    HZ   PHE  56           HZ       PHE  56   1.845 -13.487   2.262
  436    H    ALA  57           H        ALA  57  -4.598  -9.464   3.895
  437    HA   ALA  57           HA       ALA  57  -5.228 -11.667   2.318
  438   1HB   ALA  57          1HB       ALA  57  -6.515 -10.959   4.276
  439   2HB   ALA  57          2HB       ALA  57  -7.547 -11.196   2.867
  440   3HB   ALA  57          3HB       ALA  57  -7.113  -9.565   3.377
  441    H    TRP  58           H        TRP  58  -5.830  -8.204   1.648
  442    HA   TRP  58           HA       TRP  58  -7.187  -8.816  -0.791
  443   1HB   TRP  58          2HB       TRP  58  -6.278  -6.249   0.452
  444   2HB   TRP  58          1HB       TRP  58  -6.935  -6.290  -1.184
  445    HD1  TRP  58           HD       TRP  58  -7.988  -7.494   2.331
  446    HE1  TRP  58           1HE      TRP  58 -10.532  -7.207   2.555
  447    HE3  TRP  58           3HE      TRP  58  -9.023  -5.790  -2.368
  448    HZ2  TRP  58           2HZ      TRP  58 -12.696  -6.393   0.951
  449    HZ3  TRP  58           3HZ      TRP  58 -11.369  -5.285  -2.942
  450    HH2  TRP  58           HH       TRP  58 -13.159  -5.584  -1.316
  451    H    VAL  59           H        VAL  59  -3.879  -8.059   0.058
  452    HA   VAL  59           HA       VAL  59  -2.887  -7.484  -2.501
  453    HB   VAL  59           HB       VAL  59  -1.502  -8.918  -0.221
  454   1HG1  VAL  59          1HG1      VAL  59  -0.384  -9.383  -2.347
  455   2HG1  VAL  59          2HG1      VAL  59   0.591  -8.326  -1.326
  456   3HG1  VAL  59          3HG1      VAL  59  -0.306  -7.653  -2.685
  457   1HG2  VAL  59          1HG2      VAL  59  -2.243  -6.661   0.329
  458   2HG2  VAL  59          2HG2      VAL  59  -1.435  -6.037  -1.109
  459   3HG2  VAL  59          3HG2      VAL  59  -0.485  -6.731   0.206
  460    H    MET  60           H        MET  60  -3.404 -10.586  -0.867
  461    HA   MET  60           HA       MET  60  -2.589 -12.060  -3.234
  462   1HB   MET  60          2HB       MET  60  -3.691 -13.014  -0.581
  463   2HB   MET  60          1HB       MET  60  -3.131 -14.069  -1.873
  464   1HG   MET  60          2HG       MET  60  -0.891 -13.047  -1.682
  465   2HG   MET  60          1HG       MET  60  -1.476 -12.095  -0.320
  466   1HE   MET  60          1HE       MET  60  -0.501 -15.643  -1.638
  467   2HE   MET  60          2HE       MET  60  -2.221 -15.852  -1.309
  468   3HE   MET  60          3HE       MET  60  -1.026 -16.688  -0.318
  469    H    GLY  61           H        GLY  61  -5.466 -10.812  -1.828
  470   1HA   GLY  61          2HA       GLY  61  -7.504 -10.542  -2.928
  471   2HA   GLY  61          1HA       GLY  61  -6.978 -11.703  -4.140
  472    H    HIS  62           H        HIS  62  -6.975 -12.228  -0.654
  473    HA   HIS  62           HA       HIS  62  -9.293 -13.934  -0.724
  474   1HB   HIS  62          2HB       HIS  62  -6.510 -15.081  -0.573
  475   2HB   HIS  62          1HB       HIS  62  -7.881 -15.913   0.144
  476    HD1  HIS  62           1HD      HIS  62  -6.026 -15.600  -2.940
  477    HD2  HIS  62           2HD      HIS  62  -9.934 -16.563  -1.888
  478    HE1  HIS  62           1HE      HIS  62  -7.014 -16.728  -4.956
  479    HE2  HIS  62           2HE      HIS  62  -9.288 -17.509  -4.212
  480    H    GLY  63           H        GLY  63 -10.078 -12.768   0.996
  481   1HA   GLY  63          2HA       GLY  63  -9.731 -13.738   3.501
  482   2HA   GLY  63          1HA       GLY  63  -8.514 -12.480   3.414
  483    H    ARG  64           H        ARG  64 -10.194 -10.812   1.673
  484    HA   ARG  64           HA       ARG  64 -11.603  -9.051   1.869
  485   1HB   ARG  64          2HB       ARG  64 -13.083 -10.976   3.653
  486   2HB   ARG  64          1HB       ARG  64 -13.692  -9.375   3.263
  487   1HG   ARG  64          2HG       ARG  64 -13.684  -9.952   0.888
  488   2HG   ARG  64          1HG       ARG  64 -13.096 -11.566   1.291
  489   1HD   ARG  64          2HD       ARG  64 -15.691 -10.365   2.243
  490   2HD   ARG  64          1HD       ARG  64 -15.530 -11.509   0.912
  491    HE   ARG  64           HE       ARG  64 -14.434 -12.435   3.420
  492   1HH1  ARG  64          1HH1      ARG  64 -17.326 -12.206   1.463
  493   2HH1  ARG  64          2HH1      ARG  64 -18.077 -13.601   2.177
  494   1HH2  ARG  64          1HH2      ARG  64 -15.394 -14.267   4.352
  495   2HH2  ARG  64          2HH2      ARG  64 -16.954 -14.808   3.798
  496    H    CYS  65           H        CYS  65 -12.889  -7.752   3.806
  497    HA   CYS  65           HA       CYS  65 -11.166  -7.528   6.124
  498   1HB   CYS  65          2HB       CYS  65 -10.809  -5.110   5.719
  499   2HB   CYS  65          1HB       CYS  65 -10.026  -6.119   4.508
  500    HG   CYS  65           HG       CYS  65 -11.698  -3.567   3.879
  501    H    GLU  66           H        GLU  66 -12.027  -5.379   7.343
  502    HA   GLU  66           HA       GLU  66 -14.892  -5.846   7.673
  503   1HB   GLU  66          2HB       GLU  66 -12.973  -4.242   9.370
  504   2HB   GLU  66          1HB       GLU  66 -14.631  -4.648   9.781
  505   1HG   GLU  66          2HG       GLU  66 -12.424  -6.648   9.369
  506   2HG   GLU  66          1HG       GLU  66 -12.970  -6.048  10.933
  507    H    ASN  67           H        ASN  67 -12.575  -3.331   6.885
  508    HA   ASN  67           HA       ASN  67 -14.821  -1.587   6.104
  509   1HB   ASN  67          2HB       ASN  67 -13.625  -0.542   7.917
  510   2HB   ASN  67          1HB       ASN  67 -12.077  -0.845   7.136
  511   1HD2  ASN  67          1HD2      ASN  67 -11.562   1.358   7.238
  512   2HD2  ASN  67          2HD2      ASN  67 -12.280   2.502   6.152
  513    H    LEU  68           H        LEU  68 -15.033  -1.353   3.986
  514    HA   LEU  68           HA       LEU  68 -13.072  -2.336   2.164
  515   1HB   LEU  68          2HB       LEU  68 -15.579  -0.724   1.725
  516   2HB   LEU  68          1HB       LEU  68 -14.574  -1.323   0.423
  517    HG   LEU  68           HG       LEU  68 -16.145  -2.966   2.409
  518   1HD1  LEU  68          1HD1      LEU  68 -17.332  -3.748   0.449
  519   2HD1  LEU  68          2HD1      LEU  68 -16.319  -2.746  -0.591
  520   3HD1  LEU  68          3HD1      LEU  68 -17.428  -1.990   0.555
  521   1HD2  LEU  68          1HD2      LEU  68 -14.234  -3.884   0.265
  522   2HD2  LEU  68          2HD2      LEU  68 -15.304  -4.929   1.200
  523   3HD2  LEU  68          3HD2      LEU  68 -14.006  -4.047   2.005
  524    H    GLY  69           H        GLY  69 -13.580   0.680   3.689
  525   1HA   GLY  69          2HA       GLY  69 -12.292   2.411   1.880
  526   2HA   GLY  69          1HA       GLY  69 -12.376   2.635   3.624
  527    H    LEU  70           H        LEU  70 -10.976   0.543   4.612
  528    HA   LEU  70           HA       LEU  70  -8.281   1.146   4.260
  529   1HB   LEU  70          2HB       LEU  70  -9.601  -1.385   5.232
  530   2HB   LEU  70          1HB       LEU  70  -7.878  -1.093   5.329
  531    HG   LEU  70           HG       LEU  70  -9.964   0.614   6.685
  532   1HD1  LEU  70          1HD1      LEU  70  -9.947  -1.630   7.628
  533   2HD1  LEU  70          2HD1      LEU  70  -9.229  -0.474   8.751
  534   3HD1  LEU  70          3HD1      LEU  70  -8.195  -1.553   7.815
  535   1HD2  LEU  70          1HD2      LEU  70  -8.062   1.515   7.919
  536   2HD2  LEU  70          2HD2      LEU  70  -7.886   1.791   6.185
  537   3HD2  LEU  70          3HD2      LEU  70  -6.966   0.510   6.971
  538    H    ALA  71           H        ALA  71 -10.299  -1.354   2.834
  539    HA   ALA  71           HA       ALA  71  -8.286  -2.680   1.367
  540   1HB   ALA  71          1HB       ALA  71 -10.436  -3.705   1.892
  541   2HB   ALA  71          2HB       ALA  71 -10.126  -3.722   0.156
  542   3HB   ALA  71          3HB       ALA  71 -11.251  -2.547   0.840
  543    H    ALA  72           H        ALA  72 -10.124   0.207   0.755
  544    HA   ALA  72           HA       ALA  72  -9.844   0.320  -2.044
  545   1HB   ALA  72          1HB       ALA  72 -11.387   1.763  -0.775
  546   2HB   ALA  72          2HB       ALA  72 -10.338   2.680  -1.855
  547   3HB   ALA  72          3HB       ALA  72 -10.001   2.641  -0.125
  548    H    MET  73           H        MET  73  -7.773   1.556   0.583
  549    HA   MET  73           HA       MET  73  -5.803   2.625  -1.162
  550   1HB   MET  73          2HB       MET  73  -5.807   1.910   1.755
  551   2HB   MET  73          1HB       MET  73  -4.311   2.367   0.949
  552   1HG   MET  73          2HG       MET  73  -5.093   4.342   1.891
  553   2HG   MET  73          1HG       MET  73  -5.557   4.458   0.197
  554   1HE   MET  73          1HE       MET  73  -6.683   4.181   3.867
  555   2HE   MET  73          2HE       MET  73  -7.109   2.563   3.313
  556   3HE   MET  73          3HE       MET  73  -8.377   3.709   3.751
  557    H    VAL  74           H        VAL  74  -6.208  -0.505   0.431
  558    HA   VAL  74           HA       VAL  74  -3.737  -1.618  -0.324
  559    HB   VAL  74           HB       VAL  74  -6.346  -3.107   0.054
  560   1HG1  VAL  74          1HG1      VAL  74  -3.483  -4.043   0.255
  561   2HG1  VAL  74          2HG1      VAL  74  -4.611  -4.442  -1.041
  562   3HG1  VAL  74          3HG1      VAL  74  -4.913  -5.016   0.599
  563   1HG2  VAL  74          1HG2      VAL  74  -5.613  -3.440   2.363
  564   2HG2  VAL  74          2HG2      VAL  74  -5.820  -1.727   2.000
  565   3HG2  VAL  74          3HG2      VAL  74  -4.203  -2.426   2.063
  566    H    ASP  75           H        ASP  75  -6.867  -1.531  -1.948
  567    HA   ASP  75           HA       ASP  75  -6.235  -3.104  -4.175
  568   1HB   ASP  75          2HB       ASP  75  -8.526  -2.439  -3.649
  569   2HB   ASP  75          1HB       ASP  75  -8.127  -0.752  -3.950
  570    H    LYS  76           H        LYS  76  -5.763   0.335  -3.549
  571    HA   LYS  76           HA       LYS  76  -4.776   1.072  -6.081
  572   1HB   LYS  76          2HB       LYS  76  -4.113   2.203  -3.349
  573   2HB   LYS  76          1HB       LYS  76  -3.713   2.975  -4.878
  574   1HG   LYS  76          2HG       LYS  76  -6.055   3.248  -5.399
  575   2HG   LYS  76          1HG       LYS  76  -6.512   2.352  -3.950
  576   1HD   LYS  76          2HD       LYS  76  -5.414   4.092  -2.576
  577   2HD   LYS  76          1HD       LYS  76  -5.083   5.008  -4.047
  578   1HE   LYS  76          2HE       LYS  76  -7.477   5.185  -4.493
  579   2HE   LYS  76          1HE       LYS  76  -7.825   4.227  -3.056
  580   1HZ   LYS  76          1HZ       LYS  76  -6.616   6.942  -3.144
  581   2HZ   LYS  76          2HZ       LYS  76  -6.731   6.005  -1.742
  582   3HZ   LYS  76          3HZ       LYS  76  -8.134   6.517  -2.527
  583    H    ILE  77           H        ILE  77  -3.205  -0.209  -3.197
  584    HA   ILE  77           HA       ILE  77  -0.547  -0.199  -4.133
  585    HB   ILE  77           HB       ILE  77  -1.864  -2.098  -2.179
  586   1HG1  ILE  77          2HG1      ILE  77  -0.273   0.423  -1.663
  587   2HG1  ILE  77          1HG1      ILE  77  -2.029   0.308  -1.575
  588   1HG2  ILE  77          1HG2      ILE  77   0.405  -2.487  -1.325
  589   2HG2  ILE  77          2HG2      ILE  77   1.056  -1.488  -2.624
  590   3HG2  ILE  77          3HG2      ILE  77   0.236  -3.004  -3.003
  591   1HD1  ILE  77          1HD1      ILE  77  -1.828  -1.298   0.249
  592   2HD1  ILE  77          2HD1      ILE  77  -1.019   0.222   0.631
  593   3HD1  ILE  77          3HD1      ILE  77  -0.071  -1.188   0.154
  594    H    VAL  78           H        VAL  78  -3.076  -2.686  -4.222
  595    HA   VAL  78           HA       VAL  78  -1.652  -4.723  -5.483
  596    HB   VAL  78           HB       VAL  78  -4.599  -4.073  -5.723
  597   1HG1  VAL  78          1HG1      VAL  78  -4.880  -6.438  -6.321
  598   2HG1  VAL  78          2HG1      VAL  78  -3.128  -6.632  -6.343
  599   3HG1  VAL  78          3HG1      VAL  78  -3.913  -5.570  -7.512
  600   1HG2  VAL  78          1HG2      VAL  78  -3.878  -4.424  -3.424
  601   2HG2  VAL  78          2HG2      VAL  78  -3.120  -5.950  -3.883
  602   3HG2  VAL  78          3HG2      VAL  78  -4.871  -5.771  -3.978
  603    H    ALA  79           H        ALA  79  -3.257  -1.900  -6.848
  604    HA   ALA  79           HA       ALA  79  -3.160  -2.607  -9.555
  605   1HB   ALA  79          1HB       ALA  79  -4.392  -0.668  -8.639
  606   2HB   ALA  79          2HB       ALA  79  -3.396  -0.256 -10.035
  607   3HB   ALA  79          3HB       ALA  79  -2.855   0.165  -8.409
  608    H    HIS  80           H        HIS  80  -0.756  -0.896  -7.564
  609    HA   HIS  80           HA       HIS  80   1.149  -0.620  -9.658
  610   1HB   HIS  80          2HB       HIS  80   1.109   0.730  -7.510
  611   2HB   HIS  80          1HB       HIS  80   1.744  -0.687  -6.686
  612    HD1  HIS  80           1HD      HIS  80   2.866   2.371  -8.136
  613    HD2  HIS  80           2HD      HIS  80   4.342  -1.521  -8.035
  614    HE1  HIS  80           1HE      HIS  80   5.316   2.560  -8.635
  615    HE2  HIS  80           2HE      HIS  80   6.136   0.186  -8.792
  616    H    ASN  81           H        ASN  81   0.527  -3.080  -7.223
  617    HA   ASN  81           HA       ASN  81   2.815  -4.675  -7.676
  618   1HB   ASN  81          2HB       ASN  81   1.282  -4.929  -5.727
  619   2HB   ASN  81          1HB       ASN  81   0.056  -5.581  -6.808
  620   1HD2  ASN  81          1HD2      ASN  81  -0.028  -7.553  -5.765
  621   2HD2  ASN  81          2HD2      ASN  81   1.253  -8.714  -5.844
  622    H    LEU  82           H        LEU  82  -0.460  -4.846  -9.037
  623    HA   LEU  82           HA       LEU  82  -0.074  -6.984 -10.790
  624   1HB   LEU  82          2HB       LEU  82  -2.233  -5.775 -10.167
  625   2HB   LEU  82          1HB       LEU  82  -1.793  -4.567 -11.354
  626    HG   LEU  82           HG       LEU  82  -2.054  -7.459 -12.137
  627   1HD1  LEU  82          1HD1      LEU  82  -4.257  -5.406 -12.023
  628   2HD1  LEU  82          2HD1      LEU  82  -4.129  -6.848 -11.014
  629   3HD1  LEU  82          3HD1      LEU  82  -4.373  -7.006 -12.753
  630   1HD2  LEU  82          1HD2      LEU  82  -1.005  -5.947 -13.744
  631   2HD2  LEU  82          2HD2      LEU  82  -2.395  -4.865 -13.645
  632   3HD2  LEU  82          3HD2      LEU  82  -2.584  -6.483 -14.319
  633    H    SER  83           H        SER  83   0.652  -3.576 -11.084
  634    HA   SER  83           HA       SER  83   1.332  -3.521 -13.807
  635   1HB   SER  83          2HB       SER  83   0.878  -1.513 -12.384
  636   2HB   SER  83          1HB       SER  83   2.433  -1.762 -11.596
  637    HG   SER  83           HG       SER  83   1.871  -0.969 -14.239
  638    H    LYS  84           H        LYS  84   3.356  -4.108 -10.911
  639    HA   LYS  84           HA       LYS  84   5.760  -4.307 -12.425
  640   1HB   LYS  84          2HB       LYS  84   6.852  -4.910 -10.452
  641   2HB   LYS  84          1HB       LYS  84   5.538  -3.891  -9.891
  642   1HG   LYS  84          2HG       LYS  84   4.252  -5.930  -9.326
  643   2HG   LYS  84          1HG       LYS  84   5.648  -6.901  -9.801
  644   1HD   LYS  84          2HD       LYS  84   5.589  -4.834  -7.600
  645   2HD   LYS  84          1HD       LYS  84   5.560  -6.581  -7.377
  646   1HE   LYS  84          2HE       LYS  84   7.797  -5.081  -8.729
  647   2HE   LYS  84          1HE       LYS  84   7.798  -5.525  -7.025
  648   1HZ   LYS  84          1HZ       LYS  84   9.042  -7.093  -8.386
  649   2HZ   LYS  84          2HZ       LYS  84   7.655  -7.439  -9.298
  650   3HZ   LYS  84          3HZ       LYS  84   7.718  -7.850  -7.651
  651    H    VAL  85           H        VAL  85   3.190  -6.495 -11.660
  652    HA   VAL  85           HA       VAL  85   4.583  -8.888 -12.396
  653    HB   VAL  85           HB       VAL  85   1.613  -8.351 -12.197
  654   1HG1  VAL  85          1HG1      VAL  85   1.349 -10.787 -12.160
  655   2HG1  VAL  85          2HG1      VAL  85   3.082 -10.981 -12.422
  656   3HG1  VAL  85          3HG1      VAL  85   2.078 -10.249 -13.674
  657   1HG2  VAL  85          1HG2      VAL  85   2.762  -8.093 -10.067
  658   2HG2  VAL  85          2HG2      VAL  85   3.534  -9.665 -10.276
  659   3HG2  VAL  85          3HG2      VAL  85   1.787  -9.563 -10.063
  660    H    ARG  86           H        ARG  86   2.271  -6.742 -14.048
  661    HA   ARG  86           HA       ARG  86   2.197  -8.215 -16.460
  662   1HB   ARG  86          2HB       ARG  86   1.089  -6.296 -17.433
  663   2HB   ARG  86          1HB       ARG  86   0.461  -6.622 -15.833
  664   1HG   ARG  86          2HG       ARG  86   0.586  -4.336 -15.905
  665   2HG   ARG  86          1HG       ARG  86   2.035  -4.794 -15.023
  666   1HD   ARG  86          2HD       ARG  86   2.532  -3.034 -16.618
  667   2HD   ARG  86          1HD       ARG  86   3.356  -4.524 -17.067
  668    HE   ARG  86           HE       ARG  86   1.478  -4.808 -18.721
  669   1HH1  ARG  86          1HH1      ARG  86   2.458  -1.643 -17.576
  670   2HH1  ARG  86          2HH1      ARG  86   1.996  -0.836 -19.050
  671   1HH2  ARG  86          1HH2      ARG  86   0.883  -3.734 -20.678
  672   2HH2  ARG  86          2HH2      ARG  86   1.110  -2.011 -20.788
  673    H    LEU  87           H        LEU  87   4.434  -6.003 -15.166
  674    HA   LEU  87           HA       LEU  87   5.663  -5.156 -17.570
  675   1HB   LEU  87          2HB       LEU  87   5.863  -3.922 -15.478
  676   2HB   LEU  87          1HB       LEU  87   6.697  -5.276 -14.739
  677    HG   LEU  87           HG       LEU  87   8.528  -4.981 -16.380
  678   1HD1  LEU  87          1HD1      LEU  87   8.657  -2.851 -17.613
  679   2HD1  LEU  87          2HD1      LEU  87   7.004  -2.488 -17.117
  680   3HD1  LEU  87          3HD1      LEU  87   7.327  -3.873 -18.159
  681   1HD2  LEU  87          1HD2      LEU  87   9.496  -3.019 -15.302
  682   2HD2  LEU  87          2HD2      LEU  87   8.671  -4.041 -14.126
  683   3HD2  LEU  87          3HD2      LEU  87   7.906  -2.558 -14.696
  684    H    GLU  88           H        GLU  88   6.202  -7.869 -15.369
  685    HA   GLU  88           HA       GLU  88   8.588  -8.628 -16.849
  686   1HB   GLU  88          2HB       GLU  88   7.394  -9.593 -14.273
  687   2HB   GLU  88          1HB       GLU  88   8.656 -10.505 -15.090
  688   1HG   GLU  88          2HG       GLU  88  10.023  -8.370 -15.038
  689   2HG   GLU  88          1HG       GLU  88   8.811  -7.755 -13.911
  690    H    HIS  89           H        HIS  89   6.149 -10.847 -15.485
  691    HA   HIS  89           HA       HIS  89   5.744 -12.044 -18.079
  692   1HB   HIS  89          2HB       HIS  89   6.742 -14.215 -17.520
  693   2HB   HIS  89          1HB       HIS  89   7.947 -12.937 -17.528
  694    HD1  HIS  89           1HD      HIS  89   7.479 -15.843 -15.806
  695    HD2  HIS  89           2HD      HIS  89   7.864 -11.919 -14.484
  696    HE1  HIS  89           1HE      HIS  89   8.282 -16.003 -13.421
  697    HE2  HIS  89           2HE      HIS  89   8.681 -13.609 -12.713
  698    H    HIS  90           H        HIS  90   3.638 -12.182 -17.976
  699    HA   HIS  90           HA       HIS  90   2.338 -14.340 -16.924
  700   1HB   HIS  90          2HB       HIS  90   2.750 -13.233 -14.667
  701   2HB   HIS  90          1HB       HIS  90   1.678 -11.940 -15.195
  702    HD1  HIS  90           1HD      HIS  90  -0.733 -12.261 -14.635
  703    HD2  HIS  90           2HD      HIS  90   1.357 -15.859 -14.690
  704    HE1  HIS  90           1HE      HIS  90  -2.373 -14.013 -13.892
  705    HE2  HIS  90           2HE      HIS  90  -1.151 -16.197 -14.143
  706    H    HIS  91           H        HIS  91   0.693 -14.496 -18.337
  707    HA   HIS  91           HA       HIS  91   0.105 -12.419 -20.107
  708   1HB   HIS  91          2HB       HIS  91  -0.529 -15.122 -19.942
  709   2HB   HIS  91          1HB       HIS  91  -2.090 -14.306 -19.901
  710    HD1  HIS  91           1HD      HIS  91   0.790 -15.057 -22.117
  711    HD2  HIS  91           2HD      HIS  91  -2.725 -12.833 -22.242
  712    HE1  HIS  91           1HE      HIS  91   0.485 -14.395 -24.527
  713    HE2  HIS  91           2HE      HIS  91  -1.508 -12.858 -24.527
  714    H    HIS  92           H        HIS  92  -1.349 -10.840 -20.181
  715    HA   HIS  92           HA       HIS  92  -3.309 -10.572 -18.029
  716   1HB   HIS  92          2HB       HIS  92  -2.446  -8.246 -17.558
  717   2HB   HIS  92          1HB       HIS  92  -1.386  -9.547 -17.023
  718    HD1  HIS  92           1HD      HIS  92  -1.598  -6.729 -19.479
  719    HD2  HIS  92           2HD      HIS  92   1.053  -9.744 -18.397
  720    HE1  HIS  92           1HE      HIS  92   0.580  -6.157 -20.596
  721    HE2  HIS  92           2HE      HIS  92   2.124  -8.074 -20.054
  722    H    HIS  93           H        HIS  93  -4.990  -9.140 -18.498
  723    HA   HIS  93           HA       HIS  93  -4.885  -7.385 -20.755
  724   1HB   HIS  93          2HB       HIS  93  -5.344  -9.744 -21.705
  725   2HB   HIS  93          1HB       HIS  93  -6.929  -9.591 -20.959
  726    HD1  HIS  93           1HD      HIS  93  -8.498  -7.655 -21.919
  727    HD2  HIS  93           2HD      HIS  93  -5.024  -8.418 -24.080
  728    HE1  HIS  93           1HE      HIS  93  -8.819  -6.531 -24.146
  729    HE2  HIS  93           2HE      HIS  93  -6.750  -7.094 -25.476
  730    H    HIS  94           H        HIS  94  -6.413  -5.802 -20.584
  731    HA   HIS  94           HA       HIS  94  -8.609  -6.256 -18.681
  732   1HB   HIS  94          2HB       HIS  94  -6.796  -3.896 -18.969
  733   2HB   HIS  94          1HB       HIS  94  -8.477  -3.608 -18.534
  734    HD1  HIS  94           1HD      HIS  94  -5.604  -3.492 -16.812
  735    HD2  HIS  94           2HD      HIS  94  -8.908  -5.974 -16.355
  736    HE1  HIS  94           1HE      HIS  94  -5.533  -4.282 -14.430
  737    HE2  HIS  94           2HE      HIS  94  -7.695  -5.535 -14.112
  Start of MODEL   13
    1   1H    MET   1          1HT       MET   1  -1.566  18.956   3.678
    2   2H    MET   1          2HT       MET   1  -1.096  19.646   5.154
    3   3H    MET   1          3HT       MET   1  -1.856  18.131   5.129
    4    HA   MET   1           HA       MET   1  -0.027  17.109   4.084
    5   1HB   MET   1          2HB       MET   1   0.584  18.995   2.624
    6   2HB   MET   1          1HB       MET   1   1.215  19.866   4.015
    7   1HG   MET   1          2HG       MET   1   2.979  18.831   2.675
    8   2HG   MET   1          1HG       MET   1   2.940  18.217   4.327
    9   1HE   MET   1          1HE       MET   1   1.308  15.889   0.689
   10   2HE   MET   1          2HE       MET   1   1.996  17.511   0.595
   11   3HE   MET   1          3HE       MET   1   0.461  17.252   1.421
   12    H    TYR   2           H        TYR   2   0.980  15.959   5.570
   13    HA   TYR   2           HA       TYR   2   1.343  17.065   8.220
   14   1HB   TYR   2          2HB       TYR   2   2.056  14.698   8.772
   15   2HB   TYR   2          1HB       TYR   2   0.404  14.897   8.204
   16    HD1  TYR   2           2HD      TYR   2   3.805  14.175   6.797
   17    HD2  TYR   2           1HD      TYR   2  -0.370  13.380   6.662
   18    HE1  TYR   2           2HE      TYR   2   4.191  12.465   5.077
   19    HE2  TYR   2           1HE      TYR   2   0.008  11.664   4.944
   20    HH   TYR   2           HH       TYR   2   1.692  11.108   3.240
   21    H    THR   3           H        THR   3   3.382  16.528   9.436
   22    HA   THR   3           HA       THR   3   5.623  17.415   7.780
   23    HB   THR   3           HB       THR   3   6.625  18.123   9.966
   24    HG1  THR   3           1HG      THR   3   5.680  17.455  11.723
   25   1HG2  THR   3          1HG2      THR   3   5.430  19.712   8.542
   26   2HG2  THR   3          2HG2      THR   3   5.175  20.076  10.248
   27   3HG2  THR   3          3HG2      THR   3   3.909  19.272   9.319
   28    H    ALA   4           H        ALA   4   7.748  16.858   9.311
   29    HA   ALA   4           HA       ALA   4   8.442  14.278   8.550
   30   1HB   ALA   4          1HB       ALA   4   9.747  15.974  10.674
   31   2HB   ALA   4          2HB       ALA   4  10.056  16.072   8.940
   32   3HB   ALA   4          3HB       ALA   4  10.479  14.609   9.830
   33    H    GLU   5           H        GLU   5   7.177  15.405  11.649
   34    HA   GLU   5           HA       GLU   5   7.759  13.099  13.142
   35   1HB   GLU   5          2HB       GLU   5   6.077  15.457  13.466
   36   2HB   GLU   5          1HB       GLU   5   5.423  14.024  14.249
   37   1HG   GLU   5          2HG       GLU   5   6.851  15.374  15.720
   38   2HG   GLU   5          1HG       GLU   5   7.429  13.728  15.517
   39    H    GLN   6           H        GLN   6   5.030  13.869  11.041
   40    HA   GLN   6           HA       GLN   6   3.557  11.508  11.679
   41   1HB   GLN   6          2HB       GLN   6   2.579  13.566  10.625
   42   2HB   GLN   6          1HB       GLN   6   3.412  13.136   9.137
   43   1HG   GLN   6          2HG       GLN   6   1.119  12.438   9.001
   44   2HG   GLN   6          1HG       GLN   6   2.158  11.017   9.076
   45   1HE2  GLN   6          1HE2      GLN   6   2.106   9.711  10.885
   46   2HE2  GLN   6          2HE2      GLN   6   0.855   9.823  12.076
   47    H    LYS   7           H        LYS   7   5.986  12.379   9.318
   48    HA   LYS   7           HA       LYS   7   5.984  10.076   7.729
   49   1HB   LYS   7          2HB       LYS   7   8.212  11.963   8.494
   50   2HB   LYS   7          1HB       LYS   7   8.420  10.662   7.333
   51   1HG   LYS   7          2HG       LYS   7   6.358  12.827   7.022
   52   2HG   LYS   7          1HG       LYS   7   7.993  12.940   6.371
   53   1HD   LYS   7          2HD       LYS   7   7.595  10.851   5.106
   54   2HD   LYS   7          1HD       LYS   7   5.935  10.839   5.699
   55   1HE   LYS   7          2HE       LYS   7   6.016  11.759   3.456
   56   2HE   LYS   7          1HE       LYS   7   5.545  13.007   4.608
   57   1HZ   LYS   7          1HZ       LYS   7   7.182  13.781   2.966
   58   2HZ   LYS   7          2HZ       LYS   7   8.299  12.643   3.540
   59   3HZ   LYS   7          3HZ       LYS   7   7.768  13.895   4.551
   60    H    ALA   8           H        ALA   8   7.336  10.699  10.895
   61    HA   ALA   8           HA       ALA   8   9.162   8.604  11.090
   62   1HB   ALA   8          1HB       ALA   8   8.991   8.866  13.492
   63   2HB   ALA   8          2HB       ALA   8   7.486   9.765  13.307
   64   3HB   ALA   8          3HB       ALA   8   8.998  10.445  12.705
   65    H    ARG   9           H        ARG   9   5.672   8.610  11.612
   66    HA   ARG   9           HA       ARG   9   5.434   6.028  12.720
   67   1HB   ARG   9          2HB       ARG   9   3.510   7.619  11.017
   68   2HB   ARG   9          1HB       ARG   9   3.090   6.125  11.837
   69   1HG   ARG   9          2HG       ARG   9   4.130   8.511  13.329
   70   2HG   ARG   9          1HG       ARG   9   2.421   8.313  12.943
   71   1HD   ARG   9          2HD       ARG   9   2.499   7.369  15.029
   72   2HD   ARG   9          1HD       ARG   9   2.755   5.952  14.016
   73    HE   ARG   9           HE       ARG   9   5.201   7.216  14.851
   74   1HH1  ARG   9          1HH1      ARG   9   2.712   4.897  15.685
   75   2HH1  ARG   9          2HH1      ARG   9   3.674   4.116  16.912
   76   1HH2  ARG   9          1HH2      ARG   9   6.485   6.164  16.457
   77   2HH2  ARG   9          2HH2      ARG   9   5.811   4.823  17.329
   78    H    ILE  10           H        ILE  10   5.394   7.210   9.407
   79    HA   ILE  10           HA       ILE  10   4.998   4.735   8.092
   80    HB   ILE  10           HB       ILE  10   6.418   7.210   7.084
   81   1HG1  ILE  10          2HG1      ILE  10   3.508   6.422   6.824
   82   2HG1  ILE  10          1HG1      ILE  10   4.123   7.656   7.917
   83   1HG2  ILE  10          1HG2      ILE  10   5.139   4.935   5.581
   84   2HG2  ILE  10          2HG2      ILE  10   6.865   5.277   5.691
   85   3HG2  ILE  10          3HG2      ILE  10   5.794   6.401   4.850
   86   1HD1  ILE  10          1HD1      ILE  10   4.904   8.955   5.998
   87   2HD1  ILE  10          2HD1      ILE  10   3.166   8.659   5.936
   88   3HD1  ILE  10          3HD1      ILE  10   4.256   7.725   4.912
   89    H    LYS  11           H        LYS  11   7.839   6.571   9.020
   90    HA   LYS  11           HA       LYS  11   9.879   5.119   7.846
   91   1HB   LYS  11          2HB       LYS  11  10.151   7.298   8.929
   92   2HB   LYS  11          1HB       LYS  11   9.842   6.570  10.495
   93   1HG   LYS  11          2HG       LYS  11  11.894   5.316  10.368
   94   2HG   LYS  11          1HG       LYS  11  12.190   5.917   8.732
   95   1HD   LYS  11          2HD       LYS  11  12.257   8.219   9.616
   96   2HD   LYS  11          1HD       LYS  11  12.021   7.584  11.243
   97   1HE   LYS  11          2HE       LYS  11  14.334   6.840   9.466
   98   2HE   LYS  11          1HE       LYS  11  14.385   8.141  10.654
   99   1HZ   LYS  11          1HZ       LYS  11  15.322   6.197  11.613
  100   2HZ   LYS  11          2HZ       LYS  11  13.983   5.249  11.186
  101   3HZ   LYS  11          3HZ       LYS  11  13.825   6.463  12.365
  102    H    TRP  12           H        TRP  12   8.145   4.479  10.847
  103    HA   TRP  12           HA       TRP  12   9.880   2.478  11.842
  104   1HB   TRP  12          2HB       TRP  12   7.072   3.312  12.433
  105   2HB   TRP  12          1HB       TRP  12   7.660   1.784  13.080
  106    HD1  TRP  12           HD       TRP  12   9.345   5.295  12.913
  107    HE1  TRP  12           1HE      TRP  12  10.179   5.871  15.282
  108    HE3  TRP  12           3HE      TRP  12   7.699   1.136  15.386
  109    HZ2  TRP  12           2HZ      TRP  12  10.149   4.703  17.857
  110    HZ3  TRP  12           3HZ      TRP  12   8.146   0.937  17.795
  111    HH2  TRP  12           HH       TRP  12   9.347   2.685  19.006
  112    H    ALA  13           H        ALA  13   7.406   2.375   9.404
  113    HA   ALA  13           HA       ALA  13   7.331  -0.560   9.535
  114   1HB   ALA  13          1HB       ALA  13   5.373  -0.427   8.115
  115   2HB   ALA  13          2HB       ALA  13   5.582   1.315   7.952
  116   3HB   ALA  13          3HB       ALA  13   5.176   0.620   9.521
  117    H    CYS  14           H        CYS  14   7.762   2.068   7.180
  118    HA   CYS  14           HA       CYS  14   8.343   0.416   4.983
  119   1HB   CYS  14          2HB       CYS  14   8.982   3.313   5.512
  120   2HB   CYS  14          1HB       CYS  14   9.297   2.514   3.973
  121    HG   CYS  14           HG       CYS  14   6.375   1.698   4.108
  122    H    ARG  15           H        ARG  15  10.350   1.476   7.607
  123    HA   ARG  15           HA       ARG  15  12.903   1.339   6.559
  124   1HB   ARG  15          2HB       ARG  15  13.669   0.716   8.798
  125   2HB   ARG  15          1HB       ARG  15  12.449   1.977   8.878
  126   1HG   ARG  15          2HG       ARG  15  10.773   0.384   9.550
  127   2HG   ARG  15          1HG       ARG  15  11.914  -0.949   9.347
  128   1HD   ARG  15          2HD       ARG  15  12.144   1.318  11.321
  129   2HD   ARG  15          1HD       ARG  15  11.693  -0.345  11.692
  130    HE   ARG  15           HE       ARG  15  14.277   0.023  10.408
  131   1HH1  ARG  15          1HH1      ARG  15  12.491  -0.435  13.388
  132   2HH1  ARG  15          2HH1      ARG  15  13.883  -0.957  14.287
  133   1HH2  ARG  15          1HH2      ARG  15  16.097  -0.652  11.573
  134   2HH2  ARG  15          2HH2      ARG  15  15.953  -1.052  13.263
  135    H    ARG  16           H        ARG  16  10.738  -1.307   7.403
  136    HA   ARG  16           HA       ARG  16  12.720  -3.213   6.372
  137   1HB   ARG  16          2HB       ARG  16  11.587  -3.752   8.536
  138   2HB   ARG  16          1HB       ARG  16  10.054  -3.804   7.677
  139   1HG   ARG  16          2HG       ARG  16  10.923  -5.632   6.278
  140   2HG   ARG  16          1HG       ARG  16  12.426  -5.598   7.202
  141   1HD   ARG  16          2HD       ARG  16   9.670  -6.269   8.219
  142   2HD   ARG  16          1HD       ARG  16  11.042  -7.362   8.053
  143    HE   ARG  16           HE       ARG  16  10.898  -5.133   9.982
  144   1HH1  ARG  16          1HH1      ARG  16  11.943  -8.358   9.085
  145   2HH1  ARG  16          2HH1      ARG  16  12.795  -8.633  10.577
  146   1HH2  ARG  16          1HH2      ARG  16  11.996  -5.506  11.948
  147   2HH2  ARG  16          2HH2      ARG  16  12.805  -7.019  12.208
  148    H    GLY  17           H        GLY  17   9.309  -2.284   6.031
  149   1HA   GLY  17          2HA       GLY  17   8.233  -1.792   4.025
  150   2HA   GLY  17          1HA       GLY  17   9.583  -2.496   3.151
  151    H    MET  18           H        MET  18   9.427  -4.973   4.821
  152    HA   MET  18           HA       MET  18   8.573  -7.066   4.591
  153   1HB   MET  18          2HB       MET  18   6.520  -6.429   5.557
  154   2HB   MET  18          1HB       MET  18   6.078  -5.435   4.178
  155   1HG   MET  18          2HG       MET  18   5.491  -7.292   2.887
  156   2HG   MET  18          1HG       MET  18   6.314  -8.410   3.958
  157   1HE   MET  18          1HE       MET  18   4.227 -10.026   4.056
  158   2HE   MET  18          2HE       MET  18   3.385  -8.967   2.924
  159   3HE   MET  18          3HE       MET  18   2.584  -9.481   4.407
  160    H    LEU  19           H        LEU  19   9.566  -8.026   2.920
  161    HA   LEU  19           HA       LEU  19   9.954  -6.791   0.467
  162   1HB   LEU  19          2HB       LEU  19  10.259  -9.682   1.236
  163   2HB   LEU  19          1HB       LEU  19  10.872  -8.989  -0.248
  164    HG   LEU  19           HG       LEU  19  11.748  -8.266   2.549
  165   1HD1  LEU  19          1HD1      LEU  19  13.874  -9.240   1.889
  166   2HD1  LEU  19          2HD1      LEU  19  13.220  -9.641   0.302
  167   3HD1  LEU  19          3HD1      LEU  19  12.581 -10.431   1.744
  168   1HD2  LEU  19          1HD2      LEU  19  13.414  -6.848   1.444
  169   2HD2  LEU  19          2HD2      LEU  19  11.769  -6.306   1.112
  170   3HD2  LEU  19          3HD2      LEU  19  12.667  -7.198  -0.116
  171    H    GLU  20           H        GLU  20   7.459  -9.076   1.394
  172    HA   GLU  20           HA       GLU  20   6.611  -9.737  -1.228
  173   1HB   GLU  20          2HB       GLU  20   4.922  -9.704   1.276
  174   2HB   GLU  20          1HB       GLU  20   4.616 -10.622  -0.191
  175   1HG   GLU  20          2HG       GLU  20   5.537 -12.285   1.009
  176   2HG   GLU  20          1HG       GLU  20   7.037 -11.578   0.414
  177    H    LEU  21           H        LEU  21   6.240  -6.912   0.649
  178    HA   LEU  21           HA       LEU  21   4.053  -5.956  -1.082
  179   1HB   LEU  21          2HB       LEU  21   4.559  -5.605   1.849
  180   2HB   LEU  21          1HB       LEU  21   3.605  -4.432   0.980
  181    HG   LEU  21           HG       LEU  21   2.979  -7.369   1.262
  182   1HD1  LEU  21          1HD1      LEU  21   2.606  -6.090   3.309
  183   2HD1  LEU  21          2HD1      LEU  21   1.078  -6.598   2.587
  184   3HD1  LEU  21          3HD1      LEU  21   1.624  -4.931   2.412
  185   1HD2  LEU  21          1HD2      LEU  21   0.853  -6.794   0.149
  186   2HD2  LEU  21          2HD2      LEU  21   2.250  -6.566  -0.902
  187   3HD2  LEU  21          3HD2      LEU  21   1.473  -5.171  -0.155
  188    H    ASP  22           H        ASP  22   7.114  -5.250   0.404
  189    HA   ASP  22           HA       ASP  22   7.316  -2.511   0.194
  190   1HB   ASP  22          2HB       ASP  22   8.968  -3.888   1.336
  191   2HB   ASP  22          1HB       ASP  22   9.475  -4.593  -0.195
  192    H    VAL  23           H        VAL  23   8.027  -4.927  -2.293
  193    HA   VAL  23           HA       VAL  23   9.136  -3.122  -4.159
  194    HB   VAL  23           HB       VAL  23   8.807  -4.923  -5.823
  195   1HG1  VAL  23          1HG1      VAL  23  10.790  -4.905  -4.409
  196   2HG1  VAL  23          2HG1      VAL  23  10.279  -6.557  -4.747
  197   3HG1  VAL  23          3HG1      VAL  23   9.937  -5.831  -3.175
  198   1HG2  VAL  23          1HG2      VAL  23   7.433  -6.350  -3.544
  199   2HG2  VAL  23          2HG2      VAL  23   7.909  -7.091  -5.072
  200   3HG2  VAL  23          3HG2      VAL  23   6.688  -5.819  -5.053
  201    H    VAL  24           H        VAL  24   5.922  -3.587  -3.202
  202    HA   VAL  24           HA       VAL  24   4.895  -2.456  -5.720
  203    HB   VAL  24           HB       VAL  24   3.318  -3.712  -3.464
  204   1HG1  VAL  24          1HG1      VAL  24   1.472  -3.728  -5.081
  205   2HG1  VAL  24          2HG1      VAL  24   2.494  -2.889  -6.247
  206   3HG1  VAL  24          3HG1      VAL  24   2.034  -2.090  -4.744
  207   1HG2  VAL  24          1HG2      VAL  24   4.735  -5.375  -4.552
  208   2HG2  VAL  24          2HG2      VAL  24   4.111  -4.889  -6.129
  209   3HG2  VAL  24          3HG2      VAL  24   3.037  -5.641  -4.948
  210    H    ILE  25           H        ILE  25   4.777  -2.090  -2.197
  211    HA   ILE  25           HA       ILE  25   3.058   0.155  -2.191
  212    HB   ILE  25           HB       ILE  25   4.973  -0.823  -0.074
  213   1HG1  ILE  25          2HG1      ILE  25   1.993  -1.207  -0.441
  214   2HG1  ILE  25          1HG1      ILE  25   3.236  -2.438  -0.659
  215   1HG2  ILE  25          1HG2      ILE  25   2.751   1.204   0.140
  216   2HG2  ILE  25          2HG2      ILE  25   4.479   1.517   0.301
  217   3HG2  ILE  25          3HG2      ILE  25   3.648   0.524   1.498
  218   1HD1  ILE  25          1HD1      ILE  25   2.572  -1.056   1.936
  219   2HD1  ILE  25          2HD1      ILE  25   3.770  -2.330   1.707
  220   3HD1  ILE  25          3HD1      ILE  25   2.059  -2.677   1.465
  221    H    MET  26           H        MET  26   6.614  -0.101  -1.993
  222    HA   MET  26           HA       MET  26   7.098   2.555  -1.271
  223   1HB   MET  26          2HB       MET  26   8.832   0.863  -1.091
  224   2HB   MET  26          1HB       MET  26   8.869   0.677  -2.838
  225   1HG   MET  26          2HG       MET  26   9.575   3.056  -3.014
  226   2HG   MET  26          1HG       MET  26   9.702   3.093  -1.256
  227   1HE   MET  26          1HE       MET  26  11.381   1.526   0.122
  228   2HE   MET  26          2HE       MET  26  12.511   0.403  -0.636
  229   3HE   MET  26          3HE       MET  26  10.776   0.099  -0.716
  230    HA   PRO  27           HA       PRO  27   7.753   3.670  -5.955
  231   1HB   PRO  27          2HB       PRO  27   6.458   2.047  -7.751
  232   2HB   PRO  27          1HB       PRO  27   8.170   1.902  -7.341
  233   1HG   PRO  27          2HG       PRO  27   5.835   0.334  -6.322
  234   2HG   PRO  27          1HG       PRO  27   7.455  -0.230  -6.773
  235   1HD   PRO  27          2HD       PRO  27   6.735   0.115  -4.208
  236   2HD   PRO  27          1HD       PRO  27   8.386   0.448  -4.771
  237    H    PHE  28           H        PHE  28   4.746   1.997  -5.081
  238    HA   PHE  28           HA       PHE  28   2.974   3.637  -6.520
  239   1HB   PHE  28          2HB       PHE  28   2.215   1.526  -5.591
  240   2HB   PHE  28          1HB       PHE  28   2.540   2.089  -3.954
  241    HD1  PHE  28           2HD      PHE  28   0.388   2.611  -6.913
  242    HD2  PHE  28           1HD      PHE  28   0.946   3.337  -2.760
  243    HE1  PHE  28           2HE      PHE  28  -1.909   3.477  -6.761
  244    HE2  PHE  28           1HE      PHE  28  -1.349   4.209  -2.600
  245    HZ   PHE  28           HZ       PHE  28  -2.782   4.279  -4.604
  246    H    PHE  29           H        PHE  29   4.160   3.843  -3.182
  247    HA   PHE  29           HA       PHE  29   2.662   6.067  -2.401
  248   1HB   PHE  29          2HB       PHE  29   3.892   4.648  -0.815
  249   2HB   PHE  29          1HB       PHE  29   5.418   5.236  -1.463
  250    HD1  PHE  29           1HD      PHE  29   2.281   6.450   0.132
  251    HD2  PHE  29           2HD      PHE  29   6.450   7.049  -0.474
  252    HE1  PHE  29           1HE      PHE  29   2.247   8.304   1.750
  253    HE2  PHE  29           2HE      PHE  29   6.425   8.898   1.147
  254    HZ   PHE  29           HZ       PHE  29   4.322   9.530   2.262
  255    H    GLU  30           H        GLU  30   5.928   5.911  -3.803
  256    HA   GLU  30           HA       GLU  30   6.504   8.645  -3.672
  257   1HB   GLU  30          2HB       GLU  30   7.443   6.610  -5.699
  258   2HB   GLU  30          1HB       GLU  30   8.166   8.193  -5.446
  259   1HG   GLU  30          2HG       GLU  30   8.428   7.408  -3.011
  260   2HG   GLU  30          1HG       GLU  30   8.204   5.796  -3.679
  261    H    GLU  31           H        GLU  31   5.033   6.748  -6.228
  262    HA   GLU  31           HA       GLU  31   4.822   8.914  -8.074
  263   1HB   GLU  31          2HB       GLU  31   3.417   6.243  -7.999
  264   2HB   GLU  31          1HB       GLU  31   3.345   7.368  -9.346
  265   1HG   GLU  31          2HG       GLU  31   5.775   7.156  -9.631
  266   2HG   GLU  31          1HG       GLU  31   5.810   5.985  -8.310
  267    H    CYS  32           H        CYS  32   2.462   7.293  -5.965
  268    HA   CYS  32           HA       CYS  32   0.326   8.860  -7.113
  269   1HB   CYS  32          2HB       CYS  32   0.221   6.388  -6.455
  270   2HB   CYS  32          1HB       CYS  32   0.063   6.959  -4.798
  271    HG   CYS  32           HG       CYS  32  -2.125   7.553  -7.366
  272    H    PHE  33           H        PHE  33   2.366   9.138  -4.357
  273    HA   PHE  33           HA       PHE  33   0.753  10.271  -2.426
  274   1HB   PHE  33          2HB       PHE  33   3.089   9.740  -2.026
  275   2HB   PHE  33          1HB       PHE  33   3.598  10.996  -3.146
  276    HD1  PHE  33           2HD      PHE  33   1.700  10.511   0.019
  277    HD2  PHE  33           1HD      PHE  33   4.103  13.106  -2.348
  278    HE1  PHE  33           2HE      PHE  33   1.779  12.126   1.874
  279    HE2  PHE  33           1HE      PHE  33   4.189  14.721  -0.496
  280    HZ   PHE  33           HZ       PHE  33   3.024  14.232   1.619
  281    H    ASP  34           H        ASP  34   2.136  11.811  -5.268
  282    HA   ASP  34           HA       ASP  34   1.486  14.483  -4.594
  283   1HB   ASP  34          2HB       ASP  34   3.154  13.993  -6.277
  284   2HB   ASP  34          1HB       ASP  34   1.968  13.149  -7.264
  285    H    SER  35           H        SER  35  -0.424  11.873  -5.727
  286    HA   SER  35           HA       SER  35  -2.603  13.701  -6.493
  287   1HB   SER  35          2HB       SER  35  -2.160  10.830  -7.342
  288   2HB   SER  35          1HB       SER  35  -3.441  11.899  -7.911
  289    HG   SER  35           HG       SER  35  -1.530  11.699  -9.303
  290    H    LEU  36           H        LEU  36  -1.611  11.893  -3.959
  291    HA   LEU  36           HA       LEU  36  -4.181  10.676  -3.339
  292   1HB   LEU  36          2HB       LEU  36  -1.534  10.686  -1.902
  293   2HB   LEU  36          1HB       LEU  36  -2.988  10.011  -1.196
  294    HG   LEU  36           HG       LEU  36  -1.708   9.064  -3.761
  295   1HD1  LEU  36          1HD1      LEU  36  -1.076   7.094  -2.477
  296   2HD1  LEU  36          2HD1      LEU  36  -1.753   7.815  -1.016
  297   3HD1  LEU  36          3HD1      LEU  36  -0.351   8.549  -1.795
  298   1HD2  LEU  36          1HD2      LEU  36  -4.003   7.931  -2.164
  299   2HD2  LEU  36          2HD2      LEU  36  -3.285   7.213  -3.606
  300   3HD2  LEU  36          3HD2      LEU  36  -4.135   8.753  -3.719
  301    H    THR  37           H        THR  37  -5.640  11.446  -1.940
  302    HA   THR  37           HA       THR  37  -5.301  14.134  -0.945
  303    HB   THR  37           HB       THR  37  -7.600  12.476  -0.036
  304    HG1  THR  37           1HG      THR  37  -7.310  11.839  -2.253
  305   1HG2  THR  37          1HG2      THR  37  -7.482  14.849   0.504
  306   2HG2  THR  37          2HG2      THR  37  -8.828  14.538  -0.594
  307   3HG2  THR  37          3HG2      THR  37  -7.334  15.247  -1.207
  308    H    GLU  38           H        GLU  38  -5.772  14.615   1.398
  309    HA   GLU  38           HA       GLU  38  -3.820  13.281   2.936
  310   1HB   GLU  38          2HB       GLU  38  -5.924  15.291   3.704
  311   2HB   GLU  38          1HB       GLU  38  -4.670  14.723   4.798
  312   1HG   GLU  38          2HG       GLU  38  -3.016  15.461   3.052
  313   2HG   GLU  38          1HG       GLU  38  -4.355  16.270   2.251
  314    H    SER  39           H        SER  39  -7.350  13.044   2.911
  315    HA   SER  39           HA       SER  39  -7.702  11.319   5.051
  316   1HB   SER  39          2HB       SER  39  -9.131  11.171   2.386
  317   2HB   SER  39          1HB       SER  39  -9.734  10.612   3.943
  318    HG   SER  39           HG       SER  39 -10.161  12.929   2.921
  319    H    GLU  40           H        GLU  40  -6.929  10.537   1.669
  320    HA   GLU  40           HA       GLU  40  -6.683   7.757   1.960
  321   1HB   GLU  40          2HB       GLU  40  -5.182   9.568   0.056
  322   2HB   GLU  40          1HB       GLU  40  -5.412   7.836  -0.131
  323   1HG   GLU  40          2HG       GLU  40  -7.809   8.169  -0.380
  324   2HG   GLU  40          1HG       GLU  40  -7.600   9.905  -0.151
  325    H    GLN  41           H        GLN  41  -4.417  10.392   2.386
  326    HA   GLN  41           HA       GLN  41  -2.083   8.865   2.785
  327   1HB   GLN  41          2HB       GLN  41  -2.866  11.648   3.656
  328   2HB   GLN  41          1HB       GLN  41  -1.259  10.989   3.889
  329   1HG   GLN  41          2HG       GLN  41  -0.932  10.791   1.516
  330   2HG   GLN  41          1HG       GLN  41  -2.603  11.265   1.210
  331   1HE2  GLN  41          1HE2      GLN  41  -1.967  13.010  -0.063
  332   2HE2  GLN  41          2HE2      GLN  41  -1.269  14.435   0.620
  333    H    ASP  42           H        ASP  42  -4.568  10.056   4.998
  334    HA   ASP  42           HA       ASP  42  -3.269   9.327   7.407
  335   1HB   ASP  42          2HB       ASP  42  -5.115  10.905   7.414
  336   2HB   ASP  42          1HB       ASP  42  -6.207   9.681   6.780
  337    H    ASP  43           H        ASP  43  -5.697   7.673   5.416
  338    HA   ASP  43           HA       ASP  43  -5.912   5.351   6.967
  339   1HB   ASP  43          2HB       ASP  43  -6.378   5.931   4.058
  340   2HB   ASP  43          1HB       ASP  43  -6.475   4.279   4.655
  341    H    PHE  44           H        PHE  44  -3.590   6.278   4.493
  342    HA   PHE  44           HA       PHE  44  -2.273   3.806   4.244
  343   1HB   PHE  44          2HB       PHE  44  -1.946   5.673   2.671
  344   2HB   PHE  44          1HB       PHE  44  -1.142   6.597   3.934
  345    HD1  PHE  44           2HD      PHE  44  -0.885   3.496   1.916
  346    HD2  PHE  44           1HD      PHE  44   1.157   6.371   4.303
  347    HE1  PHE  44           2HE      PHE  44   1.268   2.502   1.265
  348    HE2  PHE  44           1HE      PHE  44   3.315   5.384   3.648
  349    HZ   PHE  44           HZ       PHE  44   3.372   3.446   2.130
  350    H    VAL  45           H        VAL  45  -1.717   6.547   6.433
  351    HA   VAL  45           HA       VAL  45   0.551   5.441   7.720
  352    HB   VAL  45           HB       VAL  45  -1.444   7.444   8.789
  353   1HG1  VAL  45          1HG1      VAL  45   0.322   8.105  10.341
  354   2HG1  VAL  45          2HG1      VAL  45   1.351   6.811   9.727
  355   3HG1  VAL  45          3HG1      VAL  45  -0.143   6.422  10.580
  356   1HG2  VAL  45          1HG2      VAL  45   1.190   7.856   7.382
  357   2HG2  VAL  45          2HG2      VAL  45   0.207   9.129   8.103
  358   3HG2  VAL  45          3HG2      VAL  45  -0.411   8.209   6.731
  359    H    ALA  46           H        ALA  46  -2.898   5.501   8.592
  360    HA   ALA  46           HA       ALA  46  -2.720   4.034  10.970
  361   1HB   ALA  46          1HB       ALA  46  -4.733   5.258  10.274
  362   2HB   ALA  46          2HB       ALA  46  -5.093   3.584  10.695
  363   3HB   ALA  46          3HB       ALA  46  -5.007   4.066   9.001
  364    H    LEU  47           H        LEU  47  -3.016   2.969   7.632
  365    HA   LEU  47           HA       LEU  47  -3.379   0.243   7.946
  366   1HB   LEU  47          2HB       LEU  47  -3.509   1.198   5.783
  367   2HB   LEU  47          1HB       LEU  47  -1.884   1.847   5.891
  368    HG   LEU  47           HG       LEU  47  -1.046  -0.520   5.912
  369   1HD1  LEU  47          1HD1      LEU  47  -3.068  -1.637   6.606
  370   2HD1  LEU  47          2HD1      LEU  47  -2.537  -2.247   5.038
  371   3HD1  LEU  47          3HD1      LEU  47  -3.886  -1.116   5.131
  372   1HD2  LEU  47          1HD2      LEU  47  -1.304  -0.813   3.487
  373   2HD2  LEU  47          2HD2      LEU  47  -0.927   0.855   3.912
  374   3HD2  LEU  47          3HD2      LEU  47  -2.578   0.407   3.483
  375    H    LEU  48           H        LEU  48  -0.329   2.056   7.856
  376    HA   LEU  48           HA       LEU  48   1.278  -0.264   7.861
  377   1HB   LEU  48          2HB       LEU  48   1.978   2.574   8.601
  378   2HB   LEU  48          1HB       LEU  48   3.144   1.293   8.342
  379    HG   LEU  48           HG       LEU  48   1.272   2.423   6.260
  380   1HD1  LEU  48          1HD1      LEU  48   3.053   3.964   6.857
  381   2HD1  LEU  48          2HD1      LEU  48   3.317   3.300   5.245
  382   3HD1  LEU  48          3HD1      LEU  48   4.254   2.695   6.612
  383   1HD2  LEU  48          1HD2      LEU  48   2.540   1.043   4.683
  384   2HD2  LEU  48          2HD2      LEU  48   1.693   0.060   5.876
  385   3HD2  LEU  48          3HD2      LEU  48   3.431   0.329   6.026
  386    H    GLU  49           H        GLU  49  -0.119   1.628  10.433
  387    HA   GLU  49           HA       GLU  49   1.569   0.521  12.483
  388   1HB   GLU  49          2HB       GLU  49  -1.019   2.067  12.685
  389   2HB   GLU  49          1HB       GLU  49  -0.029   1.599  14.058
  390   1HG   GLU  49          2HG       GLU  49   1.846   2.912  12.931
  391   2HG   GLU  49          1HG       GLU  49   0.586   3.583  11.897
  392    H    SER  50           H        SER  50  -1.060  -0.653  10.737
  393    HA   SER  50           HA       SER  50  -2.092  -2.214  12.993
  394   1HB   SER  50          2HB       SER  50  -3.306  -1.824  10.251
  395   2HB   SER  50          1HB       SER  50  -4.083  -2.552  11.657
  396    HG   SER  50           HG       SER  50  -3.298   0.154  11.289
  397    H    ASP  51           H        ASP  51  -2.351  -4.442  12.875
  398    HA   ASP  51           HA       ASP  51  -0.734  -5.845  10.902
  399   1HB   ASP  51          2HB       ASP  51  -0.477  -6.461  13.281
  400   2HB   ASP  51          1HB       ASP  51  -2.187  -6.871  13.356
  401    H    ASP  52           H        ASP  52  -1.812  -6.176   9.018
  402    HA   ASP  52           HA       ASP  52  -4.665  -6.884   9.209
  403   1HB   ASP  52          2HB       ASP  52  -3.361  -4.907   7.363
  404   2HB   ASP  52          1HB       ASP  52  -4.964  -5.570   7.071
  405    HA   PRO  53           HA       PRO  53  -2.873 -10.132   6.525
  406   1HB   PRO  53          2HB       PRO  53  -4.653 -11.914   7.974
  407   2HB   PRO  53          1HB       PRO  53  -2.894 -11.970   7.851
  408   1HG   PRO  53          2HG       PRO  53  -4.201 -11.353  10.156
  409   2HG   PRO  53          1HG       PRO  53  -2.591 -10.728   9.755
  410   1HD   PRO  53          2HD       PRO  53  -5.259  -9.385   9.520
  411   2HD   PRO  53          1HD       PRO  53  -3.710  -8.724  10.091
  412    H    ASP  54           H        ASP  54  -6.169  -9.524   7.660
  413    HA   ASP  54           HA       ASP  54  -7.466 -10.771   5.452
  414   1HB   ASP  54          2HB       ASP  54  -9.503  -9.722   6.266
  415   2HB   ASP  54          1HB       ASP  54  -8.601 -10.381   7.624
  416    H    LEU  55           H        LEU  55  -6.252  -7.584   6.137
  417    HA   LEU  55           HA       LEU  55  -7.330  -6.288   3.854
  418   1HB   LEU  55          2HB       LEU  55  -5.790  -5.597   6.101
  419   2HB   LEU  55          1HB       LEU  55  -4.819  -5.162   4.716
  420    HG   LEU  55           HG       LEU  55  -7.577  -4.170   5.412
  421   1HD1  LEU  55          1HD1      LEU  55  -6.455  -1.988   5.425
  422   2HD1  LEU  55          2HD1      LEU  55  -4.917  -2.791   5.104
  423   3HD1  LEU  55          3HD1      LEU  55  -5.774  -3.098   6.614
  424   1HD2  LEU  55          1HD2      LEU  55  -7.491  -2.833   3.373
  425   2HD2  LEU  55          2HD2      LEU  55  -7.474  -4.557   3.005
  426   3HD2  LEU  55          3HD2      LEU  55  -5.982  -3.622   2.912
  427    H    PHE  56           H        PHE  56  -4.327  -8.033   4.505
  428    HA   PHE  56           HA       PHE  56  -3.012  -7.631   2.083
  429   1HB   PHE  56          2HB       PHE  56  -2.058  -8.795   4.072
  430   2HB   PHE  56          1HB       PHE  56  -3.070 -10.184   3.705
  431    HD1  PHE  56           1HD      PHE  56  -0.326  -8.082   2.376
  432    HD2  PHE  56           2HD      PHE  56  -2.380 -11.804   2.159
  433    HE1  PHE  56           1HE      PHE  56   1.424  -8.959   0.885
  434    HE2  PHE  56           2HE      PHE  56  -0.636 -12.683   0.664
  435    HZ   PHE  56           HZ       PHE  56   1.270 -11.263   0.028
  436    H    ALA  57           H        ALA  57  -5.711  -9.672   2.915
  437    HA   ALA  57           HA       ALA  57  -5.782 -11.212   0.539
  438   1HB   ALA  57          1HB       ALA  57  -8.073 -10.483   2.357
  439   2HB   ALA  57          2HB       ALA  57  -6.977 -11.846   2.588
  440   3HB   ALA  57          3HB       ALA  57  -8.039 -11.798   1.182
  441    H    TRP  58           H        TRP  58  -6.733  -7.934   1.235
  442    HA   TRP  58           HA       TRP  58  -8.341  -7.678  -1.131
  443   1HB   TRP  58          2HB       TRP  58  -7.313  -5.768   0.911
  444   2HB   TRP  58          1HB       TRP  58  -7.818  -5.132  -0.654
  445    HD1  TRP  58           HD       TRP  58  -9.217  -7.227   2.236
  446    HE1  TRP  58           1HE      TRP  58 -11.749  -6.830   2.377
  447    HE3  TRP  58           3HE      TRP  58  -9.793  -4.287  -1.887
  448    HZ2  TRP  58           2HZ      TRP  58 -13.746  -5.465   0.913
  449    HZ3  TRP  58           3HZ      TRP  58 -12.046  -3.479  -2.456
  450    HH2  TRP  58           HH       TRP  58 -13.981  -4.057  -1.086
  451    H    VAL  59           H        VAL  59  -4.996  -7.221  -0.252
  452    HA   VAL  59           HA       VAL  59  -4.056  -5.917  -2.544
  453    HB   VAL  59           HB       VAL  59  -2.601  -8.065  -0.989
  454   1HG1  VAL  59          1HG1      VAL  59  -0.565  -6.994  -1.771
  455   2HG1  VAL  59          2HG1      VAL  59  -1.511  -5.791  -2.647
  456   3HG1  VAL  59          3HG1      VAL  59  -1.559  -7.482  -3.143
  457   1HG2  VAL  59          1HG2      VAL  59  -2.726  -5.091  -0.516
  458   2HG2  VAL  59          2HG2      VAL  59  -1.650  -6.212   0.317
  459   3HG2  VAL  59          3HG2      VAL  59  -3.396  -6.352   0.523
  460    H    MET  60           H        MET  60  -4.832  -9.302  -1.984
  461    HA   MET  60           HA       MET  60  -4.102  -9.955  -4.742
  462   1HB   MET  60          2HB       MET  60  -4.470 -12.285  -4.119
  463   2HB   MET  60          1HB       MET  60  -3.357 -11.507  -3.005
  464   1HG   MET  60          2HG       MET  60  -5.274 -11.189  -1.443
  465   2HG   MET  60          1HG       MET  60  -6.245 -12.179  -2.532
  466   1HE   MET  60          1HE       MET  60  -4.245 -15.581  -2.421
  467   2HE   MET  60          2HE       MET  60  -3.980 -14.244  -3.539
  468   3HE   MET  60          3HE       MET  60  -5.623 -14.737  -3.128
  469    H    GLY  61           H        GLY  61  -6.774  -8.965  -2.964
  470   1HA   GLY  61          2HA       GLY  61  -8.839  -8.352  -3.780
  471   2HA   GLY  61          1HA       GLY  61  -8.405  -9.065  -5.322
  472    H    HIS  62           H        HIS  62  -8.475 -10.739  -2.200
  473    HA   HIS  62           HA       HIS  62 -10.856 -12.219  -3.090
  474   1HB   HIS  62          2HB       HIS  62  -8.148 -13.312  -2.500
  475   2HB   HIS  62          1HB       HIS  62  -9.538 -14.261  -2.001
  476    HD1  HIS  62           1HD      HIS  62  -8.039 -15.738  -3.932
  477    HD2  HIS  62           2HD      HIS  62 -10.668 -12.769  -5.187
  478    HE1  HIS  62           1HE      HIS  62  -8.533 -16.241  -6.350
  479    HE2  HIS  62           2HE      HIS  62 -10.266 -14.541  -7.031
  480    H    GLY  63           H        GLY  63 -10.154 -10.172  -0.920
  481   1HA   GLY  63          2HA       GLY  63 -11.150 -11.796   1.334
  482   2HA   GLY  63          1HA       GLY  63  -9.866 -10.619   1.560
  483    H    ARG  64           H        ARG  64 -11.762 -10.191   3.213
  484    HA   ARG  64           HA       ARG  64 -13.089  -7.808   2.168
  485   1HB   ARG  64          2HB       ARG  64 -14.418 -10.105   3.537
  486   2HB   ARG  64          1HB       ARG  64 -15.022  -8.480   3.825
  487   1HG   ARG  64          2HG       ARG  64 -14.684  -9.691   1.091
  488   2HG   ARG  64          1HG       ARG  64 -16.196  -9.705   2.006
  489   1HD   ARG  64          2HD       ARG  64 -16.411  -7.375   1.906
  490   2HD   ARG  64          1HD       ARG  64 -14.720  -7.149   1.467
  491    HE   ARG  64           HE       ARG  64 -15.700  -8.542  -0.631
  492   1HH1  ARG  64          1HH1      ARG  64 -16.852  -5.675   1.040
  493   2HH1  ARG  64          2HH1      ARG  64 -17.464  -4.927  -0.407
  494   1HH2  ARG  64          1HH2      ARG  64 -16.517  -7.562  -2.535
  495   2HH2  ARG  64          2HH2      ARG  64 -17.259  -5.987  -2.440
  496    H    CYS  65           H        CYS  65 -13.452  -6.194   3.703
  497    HA   CYS  65           HA       CYS  65 -12.131  -6.540   6.290
  498   1HB   CYS  65          2HB       CYS  65 -11.537  -4.384   4.261
  499   2HB   CYS  65          1HB       CYS  65 -11.078  -4.268   5.958
  500    HG   CYS  65           HG       CYS  65  -9.493  -6.622   5.852
  501    H    GLU  66           H        GLU  66 -12.651  -4.778   7.813
  502    HA   GLU  66           HA       GLU  66 -15.489  -4.370   7.719
  503   1HB   GLU  66          2HB       GLU  66 -13.469  -3.486   9.779
  504   2HB   GLU  66          1HB       GLU  66 -15.216  -3.467   9.980
  505   1HG   GLU  66          2HG       GLU  66 -13.502  -5.905   9.569
  506   2HG   GLU  66          1HG       GLU  66 -14.232  -5.385  11.086
  507    H    ASN  67           H        ASN  67 -12.647  -2.269   7.428
  508    HA   ASN  67           HA       ASN  67 -14.516  -0.069   6.879
  509   1HB   ASN  67          2HB       ASN  67 -12.655   1.481   7.386
  510   2HB   ASN  67          1HB       ASN  67 -13.107   0.486   8.760
  511   1HD2  ASN  67          1HD2      ASN  67 -10.646   1.923   8.212
  512   2HD2  ASN  67          2HD2      ASN  67  -9.383   0.741   8.268
  513    H    LEU  68           H        LEU  68 -14.805   0.315   4.842
  514    HA   LEU  68           HA       LEU  68 -13.110  -0.795   2.841
  515   1HB   LEU  68          2HB       LEU  68 -15.466   1.065   2.691
  516   2HB   LEU  68          1HB       LEU  68 -14.619   0.477   1.275
  517    HG   LEU  68           HG       LEU  68 -16.152  -1.170   3.287
  518   1HD1  LEU  68          1HD1      LEU  68 -17.580  -1.706   1.401
  519   2HD1  LEU  68          2HD1      LEU  68 -16.588  -0.703   0.342
  520   3HD1  LEU  68          3HD1      LEU  68 -17.514   0.040   1.648
  521   1HD2  LEU  68          1HD2      LEU  68 -14.553  -2.096   0.903
  522   2HD2  LEU  68          2HD2      LEU  68 -15.592  -3.107   1.909
  523   3HD2  LEU  68          3HD2      LEU  68 -14.145  -2.370   2.597
  524    H    GLY  69           H        GLY  69 -12.999   2.130   4.548
  525   1HA   GLY  69          2HA       GLY  69 -11.762   3.860   2.742
  526   2HA   GLY  69          1HA       GLY  69 -11.447   3.829   4.473
  527    H    LEU  70           H        LEU  70 -10.288   1.418   4.863
  528    HA   LEU  70           HA       LEU  70  -7.659   1.744   3.885
  529   1HB   LEU  70          2HB       LEU  70  -9.051  -0.510   5.320
  530   2HB   LEU  70          1HB       LEU  70  -7.374  -0.632   4.809
  531    HG   LEU  70           HG       LEU  70  -8.512   1.357   6.771
  532   1HD1  LEU  70          1HD1      LEU  70  -7.100   0.201   8.379
  533   2HD1  LEU  70          2HD1      LEU  70  -6.556  -0.909   7.122
  534   3HD1  LEU  70          3HD1      LEU  70  -8.244  -0.918   7.637
  535   1HD2  LEU  70          1HD2      LEU  70  -6.761   2.386   5.415
  536   2HD2  LEU  70          2HD2      LEU  70  -5.684   1.038   5.776
  537   3HD2  LEU  70          3HD2      LEU  70  -6.209   2.116   7.069
  538    H    ALA  71           H        ALA  71 -10.332  -0.331   2.967
  539    HA   ALA  71           HA       ALA  71  -8.983  -1.988   1.160
  540   1HB   ALA  71          1HB       ALA  71 -11.187  -2.513   0.276
  541   2HB   ALA  71          2HB       ALA  71 -11.870  -1.128   1.127
  542   3HB   ALA  71          3HB       ALA  71 -11.206  -2.484   2.040
  543    H    ALA  72           H        ALA  72 -10.557   1.142   0.721
  544    HA   ALA  72           HA       ALA  72 -10.420   1.274  -2.076
  545   1HB   ALA  72          1HB       ALA  72 -11.773   2.792  -0.702
  546   2HB   ALA  72          2HB       ALA  72 -10.721   3.670  -1.812
  547   3HB   ALA  72          3HB       ALA  72 -10.299   3.553  -0.104
  548    H    MET  73           H        MET  73  -8.121   2.367   0.408
  549    HA   MET  73           HA       MET  73  -6.214   3.461  -1.334
  550   1HB   MET  73          2HB       MET  73  -6.163   2.445   1.462
  551   2HB   MET  73          1HB       MET  73  -4.623   2.655   0.647
  552   1HG   MET  73          2HG       MET  73  -5.143   4.604   1.953
  553   2HG   MET  73          1HG       MET  73  -5.162   5.006   0.240
  554   1HE   MET  73          1HE       MET  73  -7.075   6.253  -0.888
  555   2HE   MET  73          2HE       MET  73  -8.769   5.929  -0.526
  556   3HE   MET  73          3HE       MET  73  -7.722   4.624  -1.085
  557    H    VAL  74           H        VAL  74  -6.510   0.192   0.008
  558    HA   VAL  74           HA       VAL  74  -4.198  -0.859  -1.213
  559    HB   VAL  74           HB       VAL  74  -6.687  -2.282  -0.259
  560   1HG1  VAL  74          1HG1      VAL  74  -5.267  -4.293  -0.191
  561   2HG1  VAL  74          2HG1      VAL  74  -3.973  -3.386  -0.973
  562   3HG1  VAL  74          3HG1      VAL  74  -5.484  -3.685  -1.832
  563   1HG2  VAL  74          1HG2      VAL  74  -5.385  -2.751   1.734
  564   2HG2  VAL  74          2HG2      VAL  74  -5.493  -1.010   1.468
  565   3HG2  VAL  74          3HG2      VAL  74  -4.010  -1.876   1.064
  566    H    ASP  75           H        ASP  75  -7.577  -0.753  -2.246
  567    HA   ASP  75           HA       ASP  75  -7.436  -2.344  -4.523
  568   1HB   ASP  75          2HB       ASP  75  -9.538  -1.483  -3.617
  569   2HB   ASP  75          1HB       ASP  75  -9.072   0.158  -4.046
  570    H    LYS  76           H        LYS  76  -6.708   1.090  -4.126
  571    HA   LYS  76           HA       LYS  76  -6.071   1.555  -6.847
  572   1HB   LYS  76          2HB       LYS  76  -5.220   3.057  -4.366
  573   2HB   LYS  76          1HB       LYS  76  -5.030   3.640  -6.016
  574   1HG   LYS  76          2HG       LYS  76  -7.438   3.640  -6.322
  575   2HG   LYS  76          1HG       LYS  76  -7.659   2.985  -4.705
  576   1HD   LYS  76          2HD       LYS  76  -8.094   5.368  -4.718
  577   2HD   LYS  76          1HD       LYS  76  -6.660   5.015  -3.754
  578   1HE   LYS  76          2HE       LYS  76  -5.218   5.784  -5.465
  579   2HE   LYS  76          1HE       LYS  76  -6.530   5.845  -6.639
  580   1HZ   LYS  76          1HZ       LYS  76  -7.514   7.663  -5.484
  581   2HZ   LYS  76          2HZ       LYS  76  -5.883   8.048  -5.742
  582   3HZ   LYS  76          3HZ       LYS  76  -6.407   7.552  -4.204
  583    H    ILE  77           H        ILE  77  -4.188   0.493  -4.072
  584    HA   ILE  77           HA       ILE  77  -1.630   0.600  -5.278
  585    HB   ILE  77           HB       ILE  77  -2.626  -1.290  -3.132
  586   1HG1  ILE  77          2HG1      ILE  77  -1.166   1.352  -2.878
  587   2HG1  ILE  77          1HG1      ILE  77  -2.872   1.094  -2.528
  588   1HG2  ILE  77          1HG2      ILE  77  -0.244  -1.505  -2.529
  589   2HG2  ILE  77          2HG2      ILE  77   0.178  -0.548  -3.949
  590   3HG2  ILE  77          3HG2      ILE  77  -0.595  -2.121  -4.144
  591   1HD1  ILE  77          1HD1      ILE  77  -0.571  -0.199  -1.076
  592   2HD1  ILE  77          2HD1      ILE  77  -2.284  -0.415  -0.713
  593   3HD1  ILE  77          3HD1      ILE  77  -1.528   1.163  -0.496
  594    H    VAL  78           H        VAL  78  -4.095  -1.942  -5.075
  595    HA   VAL  78           HA       VAL  78  -2.696  -3.975  -6.400
  596    HB   VAL  78           HB       VAL  78  -5.677  -3.471  -6.398
  597   1HG1  VAL  78          1HG1      VAL  78  -5.916  -5.848  -6.896
  598   2HG1  VAL  78          2HG1      VAL  78  -4.164  -6.017  -6.982
  599   3HG1  VAL  78          3HG1      VAL  78  -5.012  -5.030  -8.172
  600   1HG2  VAL  78          1HG2      VAL  78  -3.961  -5.151  -4.577
  601   2HG2  VAL  78          2HG2      VAL  78  -5.723  -5.103  -4.559
  602   3HG2  VAL  78          3HG2      VAL  78  -4.796  -3.658  -4.148
  603    H    ALA  79           H        ALA  79  -4.784  -1.410  -7.657
  604    HA   ALA  79           HA       ALA  79  -4.755  -2.122 -10.357
  605   1HB   ALA  79          1HB       ALA  79  -4.809   0.653  -9.179
  606   2HB   ALA  79          2HB       ALA  79  -6.209  -0.385  -9.446
  607   3HB   ALA  79          3HB       ALA  79  -5.282   0.216 -10.821
  608    H    HIS  80           H        HIS  80  -2.391  -0.339  -8.440
  609    HA   HIS  80           HA       HIS  80  -0.724   0.370 -10.651
  610   1HB   HIS  80          2HB       HIS  80  -0.833   1.407  -8.264
  611   2HB   HIS  80          1HB       HIS  80   0.273   0.111  -7.826
  612    HD1  HIS  80           1HD      HIS  80   0.038   3.174  -9.996
  613    HD2  HIS  80           2HD      HIS  80   2.912   0.509  -8.595
  614    HE1  HIS  80           1HE      HIS  80   2.260   4.206 -10.569
  615    HE2  HIS  80           2HE      HIS  80   3.983   2.647  -9.608
  616    H    ASN  81           H        ASN  81  -0.830  -2.294  -8.372
  617    HA   ASN  81           HA       ASN  81   1.622  -3.513  -9.102
  618   1HB   ASN  81          2HB       ASN  81   0.392  -4.003  -6.991
  619   2HB   ASN  81          1HB       ASN  81  -0.848  -4.822  -7.935
  620   1HD2  ASN  81          1HD2      ASN  81  -0.519  -6.799  -6.970
  621   2HD2  ASN  81          2HD2      ASN  81   0.897  -7.748  -7.246
  622    H    LEU  82           H        LEU  82  -1.667  -3.778 -10.293
  623    HA   LEU  82           HA       LEU  82  -1.471  -6.003 -11.934
  624   1HB   LEU  82          2HB       LEU  82  -3.502  -4.561 -11.408
  625   2HB   LEU  82          1HB       LEU  82  -2.942  -3.471 -12.655
  626    HG   LEU  82           HG       LEU  82  -3.456  -6.359 -13.307
  627   1HD1  LEU  82          1HD1      LEU  82  -5.750  -5.764 -13.916
  628   2HD1  LEU  82          2HD1      LEU  82  -5.512  -4.148 -13.249
  629   3HD1  LEU  82          3HD1      LEU  82  -5.473  -5.555 -12.187
  630   1HD2  LEU  82          1HD2      LEU  82  -2.313  -4.979 -14.969
  631   2HD2  LEU  82          2HD2      LEU  82  -3.627  -3.805 -14.908
  632   3HD2  LEU  82          3HD2      LEU  82  -3.927  -5.430 -15.523
  633    H    SER  83           H        SER  83  -0.468  -2.671 -12.528
  634    HA   SER  83           HA       SER  83   0.317  -2.978 -15.203
  635   1HB   SER  83          2HB       SER  83   1.509  -1.117 -13.135
  636   2HB   SER  83          1HB       SER  83   1.584  -0.925 -14.888
  637    HG   SER  83           HG       SER  83  -0.169   0.159 -13.449
  638    H    LYS  84           H        LYS  84   2.096  -3.444 -12.180
  639    HA   LYS  84           HA       LYS  84   4.603  -4.014 -13.327
  640   1HB   LYS  84          2HB       LYS  84   3.351  -4.789 -10.700
  641   2HB   LYS  84          1HB       LYS  84   4.988  -5.259 -11.132
  642   1HG   LYS  84          2HG       LYS  84   5.673  -2.963 -11.273
  643   2HG   LYS  84          1HG       LYS  84   4.014  -2.415 -11.016
  644   1HD   LYS  84          2HD       LYS  84   4.003  -3.193  -8.782
  645   2HD   LYS  84          1HD       LYS  84   5.481  -4.125  -9.022
  646   1HE   LYS  84          2HE       LYS  84   5.289  -1.118  -9.117
  647   2HE   LYS  84          1HE       LYS  84   5.850  -2.053  -7.730
  648   1HZ   LYS  84          1HZ       LYS  84   7.139  -1.758 -10.384
  649   2HZ   LYS  84          2HZ       LYS  84   7.551  -3.011  -9.322
  650   3HZ   LYS  84          3HZ       LYS  84   7.779  -1.400  -8.854
  651    H    VAL  85           H        VAL  85   1.775  -5.979 -12.723
  652    HA   VAL  85           HA       VAL  85   3.061  -8.490 -13.253
  653    HB   VAL  85           HB       VAL  85   0.112  -7.805 -13.267
  654   1HG1  VAL  85          1HG1      VAL  85   0.585  -9.887 -14.455
  655   2HG1  VAL  85          2HG1      VAL  85  -0.252 -10.202 -12.935
  656   3HG1  VAL  85          3HG1      VAL  85   1.485 -10.488 -13.063
  657   1HG2  VAL  85          1HG2      VAL  85   1.164  -7.315 -11.119
  658   2HG2  VAL  85          2HG2      VAL  85   1.823  -8.950 -11.062
  659   3HG2  VAL  85          3HG2      VAL  85   0.078  -8.700 -10.999
  660    H    ARG  86           H        ARG  86   1.301  -6.113 -15.152
  661    HA   ARG  86           HA       ARG  86   1.249  -7.820 -17.488
  662   1HB   ARG  86          2HB       ARG  86   0.018  -6.129 -18.553
  663   2HB   ARG  86          1HB       ARG  86  -0.505  -6.100 -16.881
  664   1HG   ARG  86          2HG       ARG  86   0.940  -4.172 -16.458
  665   2HG   ARG  86          1HG       ARG  86   1.416  -4.180 -18.159
  666   1HD   ARG  86          2HD       ARG  86  -0.908  -3.820 -18.819
  667   2HD   ARG  86          1HD       ARG  86  -1.399  -3.836 -17.126
  668    HE   ARG  86           HE       ARG  86   0.600  -1.855 -17.819
  669   1HH1  ARG  86          1HH1      ARG  86  -2.821  -2.551 -17.522
  670   2HH1  ARG  86          2HH1      ARG  86  -3.272  -0.887 -17.280
  671   1HH2  ARG  86          1HH2      ARG  86   0.012   0.336 -17.516
  672   2HH2  ARG  86          2HH2      ARG  86  -1.659   0.747 -17.267
  673    H    LEU  87           H        LEU  87   3.496  -5.892 -15.991
  674    HA   LEU  87           HA       LEU  87   4.969  -5.199 -18.371
  675   1HB   LEU  87          2HB       LEU  87   5.565  -4.987 -15.435
  676   2HB   LEU  87          1HB       LEU  87   6.773  -4.630 -16.650
  677    HG   LEU  87           HG       LEU  87   4.130  -3.206 -16.343
  678   1HD1  LEU  87          1HD1      LEU  87   5.673  -2.683 -14.532
  679   2HD1  LEU  87          2HD1      LEU  87   5.492  -1.306 -15.617
  680   3HD1  LEU  87          3HD1      LEU  87   6.939  -2.308 -15.702
  681   1HD2  LEU  87          1HD2      LEU  87   5.011  -1.653 -18.009
  682   2HD2  LEU  87          2HD2      LEU  87   4.872  -3.284 -18.666
  683   3HD2  LEU  87          3HD2      LEU  87   6.450  -2.656 -18.191
  684    H    GLU  88           H        GLU  88   6.122  -7.024 -15.526
  685    HA   GLU  88           HA       GLU  88   7.670  -8.677 -17.410
  686   1HB   GLU  88          2HB       GLU  88   8.284  -8.026 -14.525
  687   2HB   GLU  88          1HB       GLU  88   9.269  -9.030 -15.577
  688   1HG   GLU  88          2HG       GLU  88   9.677  -7.111 -17.028
  689   2HG   GLU  88          1HG       GLU  88   8.689  -6.107 -15.965
  690    H    HIS  89           H        HIS  89   6.653 -10.541 -17.727
  691    HA   HIS  89           HA       HIS  89   5.886 -12.631 -17.353
  692   1HB   HIS  89          2HB       HIS  89   7.118 -12.114 -14.663
  693   2HB   HIS  89          1HB       HIS  89   6.256 -13.611 -15.002
  694    HD1  HIS  89           1HD      HIS  89   9.505 -11.977 -15.421
  695    HD2  HIS  89           2HD      HIS  89   7.458 -15.159 -17.147
  696    HE1  HIS  89           1HE      HIS  89  11.240 -13.310 -16.659
  697    HE2  HIS  89           2HE      HIS  89  10.017 -15.365 -17.456
  698    H    HIS  90           H        HIS  90   3.805 -12.918 -17.504
  699    HA   HIS  90           HA       HIS  90   2.029 -11.373 -15.784
  700   1HB   HIS  90          2HB       HIS  90   1.242 -13.155 -18.093
  701   2HB   HIS  90          1HB       HIS  90   0.298 -11.859 -17.366
  702    HD1  HIS  90           1HD      HIS  90   2.319  -9.567 -17.406
  703    HD2  HIS  90           2HD      HIS  90   1.777 -12.211 -20.574
  704    HE1  HIS  90           1HE      HIS  90   3.189  -8.377 -19.445
  705    HE2  HIS  90           2HE      HIS  90   2.984 -10.045 -21.318
  706    H    HIS  91           H        HIS  91   1.911 -12.380 -13.835
  707    HA   HIS  91           HA       HIS  91   0.987 -15.178 -13.832
  708   1HB   HIS  91          2HB       HIS  91   2.303 -13.602 -11.605
  709   2HB   HIS  91          1HB       HIS  91   1.738 -15.264 -11.477
  710    HD1  HIS  91           1HD      HIS  91   4.699 -13.377 -12.089
  711    HD2  HIS  91           2HD      HIS  91   3.168 -16.980 -13.490
  712    HE1  HIS  91           1HE      HIS  91   6.675 -14.651 -12.983
  713    HE2  HIS  91           2HE      HIS  91   5.749 -16.894 -13.671
  714    H    HIS  92           H        HIS  92  -1.181 -15.149 -13.823
  715    HA   HIS  92           HA       HIS  92  -2.489 -13.465 -11.782
  716   1HB   HIS  92          2HB       HIS  92  -2.781 -12.671 -14.205
  717   2HB   HIS  92          1HB       HIS  92  -3.740 -14.125 -14.452
  718    HD1  HIS  92           1HD      HIS  92  -6.143 -14.102 -13.609
  719    HD2  HIS  92           2HD      HIS  92  -3.954 -10.756 -12.450
  720    HE1  HIS  92           1HE      HIS  92  -7.821 -12.491 -12.643
  721    HE2  HIS  92           2HE      HIS  92  -6.467 -10.506 -11.869
  722    H    HIS  93           H        HIS  93  -1.679 -16.464 -12.561
  723    HA   HIS  93           HA       HIS  93  -2.421 -18.563 -12.183
  724   1HB   HIS  93          2HB       HIS  93  -4.244 -17.090 -10.279
  725   2HB   HIS  93          1HB       HIS  93  -4.243 -18.843 -10.421
  726    HD1  HIS  93           1HD      HIS  93  -2.173 -15.986  -9.172
  727    HD2  HIS  93           2HD      HIS  93  -2.063 -20.132  -9.256
  728    HE1  HIS  93           1HE      HIS  93  -0.315 -16.639  -7.616
  729    HE2  HIS  93           2HE      HIS  93  -0.126 -19.137  -7.867
  730    H    HIS  94           H        HIS  94  -3.075 -18.710 -14.352
  731    HA   HIS  94           HA       HIS  94  -5.993 -18.687 -14.743
  732   1HB   HIS  94          2HB       HIS  94  -4.795 -16.779 -15.890
  733   2HB   HIS  94          1HB       HIS  94  -3.939 -17.974 -16.851
  734    HD1  HIS  94           1HD      HIS  94  -5.786 -15.803 -18.102
  735    HD2  HIS  94           2HD      HIS  94  -6.944 -19.706 -17.259
  736    HE1  HIS  94           1HE      HIS  94  -7.742 -16.268 -19.602
  737    HE2  HIS  94           2HE      HIS  94  -8.261 -18.707 -19.251
  Start of MODEL   14
    1   1H    MET   1          1HT       MET   1   0.587  18.747   4.543
    2   2H    MET   1          2HT       MET   1  -0.750  19.780   4.647
    3   3H    MET   1          3HT       MET   1  -0.914  18.142   5.060
    4    HA   MET   1           HA       MET   1   0.675  20.185   6.495
    5   1HB   MET   1          2HB       MET   1  -1.835  20.171   6.792
    6   2HB   MET   1          1HB       MET   1  -1.681  18.549   7.457
    7   1HG   MET   1          2HG       MET   1  -0.288  19.404   9.257
    8   2HG   MET   1          1HG       MET   1  -0.376  21.023   8.568
    9   1HE   MET   1          1HE       MET   1  -1.215  22.135  10.762
   10   2HE   MET   1          2HE       MET   1  -1.048  20.583  11.584
   11   3HE   MET   1          3HE       MET   1  -2.538  21.511  11.748
   12    H    TYR   2           H        TYR   2  -0.166  16.767   6.093
   13    HA   TYR   2           HA       TYR   2   1.652  15.805   8.057
   14   1HB   TYR   2          2HB       TYR   2   0.367  14.560   5.652
   15   2HB   TYR   2          1HB       TYR   2   1.565  13.682   6.586
   16    HD1  TYR   2           1HD      TYR   2  -1.859  15.040   6.608
   17    HD2  TYR   2           2HD      TYR   2   1.080  12.895   8.802
   18    HE1  TYR   2           1HE      TYR   2  -3.585  14.312   8.206
   19    HE2  TYR   2           2HE      TYR   2  -0.630  12.160  10.399
   20    HH   TYR   2           HH       TYR   2  -3.861  12.280   9.853
   21    H    THR   3           H        THR   3   3.624  16.594   7.956
   22    HA   THR   3           HA       THR   3   5.019  16.724   5.381
   23    HB   THR   3           HB       THR   3   6.562  18.308   6.647
   24    HG1  THR   3           1HG      THR   3   6.228  18.340   8.733
   25   1HG2  THR   3          1HG2      THR   3   3.654  19.074   6.407
   26   2HG2  THR   3          2HG2      THR   3   4.841  19.105   5.102
   27   3HG2  THR   3          3HG2      THR   3   5.016  20.192   6.480
   28    H    ALA   4           H        ALA   4   7.633  16.996   6.476
   29    HA   ALA   4           HA       ALA   4   8.547  14.405   6.282
   30   1HB   ALA   4          1HB       ALA   4   9.948  16.699   7.643
   31   2HB   ALA   4          2HB       ALA   4   9.913  16.406   5.905
   32   3HB   ALA   4          3HB       ALA   4  10.704  15.252   6.978
   33    H    GLU   5           H        GLU   5   7.865  16.253   9.250
   34    HA   GLU   5           HA       GLU   5   8.913  14.400  11.077
   35   1HB   GLU   5          2HB       GLU   5   6.456  16.048  11.593
   36   2HB   GLU   5          1HB       GLU   5   7.660  15.500  12.747
   37   1HG   GLU   5          2HG       GLU   5   8.361  17.617  12.550
   38   2HG   GLU   5          1HG       GLU   5   9.231  16.957  11.171
   39    H    GLN   6           H        GLN   6   5.706  14.734   9.678
   40    HA   GLN   6           HA       GLN   6   4.557  12.542  11.067
   41   1HB   GLN   6          2HB       GLN   6   3.654  13.929   8.540
   42   2HB   GLN   6          1HB       GLN   6   2.681  12.835   9.511
   43   1HG   GLN   6          2HG       GLN   6   3.789  15.487  10.412
   44   2HG   GLN   6          1HG       GLN   6   2.115  15.155   9.972
   45   1HE2  GLN   6          1HE2      GLN   6   0.803  14.045  11.393
   46   2HE2  GLN   6          2HE2      GLN   6   1.252  13.725  13.032
   47    H    LYS   7           H        LYS   7   6.192  12.902   7.974
   48    HA   LYS   7           HA       LYS   7   5.656  10.316   6.985
   49   1HB   LYS   7          2HB       LYS   7   7.632  12.435   6.383
   50   2HB   LYS   7          1HB       LYS   7   8.087  10.799   5.916
   51   1HG   LYS   7          2HG       LYS   7   5.917  10.622   4.698
   52   2HG   LYS   7          1HG       LYS   7   5.643  12.331   5.048
   53   1HD   LYS   7          2HD       LYS   7   7.503  12.993   3.743
   54   2HD   LYS   7          1HD       LYS   7   8.120  11.341   3.652
   55   1HE   LYS   7          2HE       LYS   7   6.160  10.698   2.320
   56   2HE   LYS   7          1HE       LYS   7   5.571  12.358   2.393
   57   1HZ   LYS   7          1HZ       LYS   7   6.801  11.694   0.312
   58   2HZ   LYS   7          2HZ       LYS   7   8.211  11.654   1.247
   59   3HZ   LYS   7          3HZ       LYS   7   7.355  13.107   1.074
   60    H    ALA   8           H        ALA   8   8.066  11.527   9.239
   61    HA   ALA   8           HA       ALA   8   9.598   9.175   9.469
   62   1HB   ALA   8          1HB       ALA   8  10.317  11.338  10.383
   63   2HB   ALA   8          2HB       ALA   8  10.348  10.069  11.608
   64   3HB   ALA   8          3HB       ALA   8   9.034  11.245  11.591
   65    H    ARG   9           H        ARG   9   6.598  10.210  11.004
   66    HA   ARG   9           HA       ARG   9   6.335   8.093  12.845
   67   1HB   ARG   9          2HB       ARG   9   4.008   9.390  11.441
   68   2HB   ARG   9          1HB       ARG   9   4.062   8.722  13.066
   69   1HG   ARG   9          2HG       ARG   9   5.438  11.228  12.120
   70   2HG   ARG   9          1HG       ARG   9   3.994  11.133  13.125
   71   1HD   ARG   9          2HD       ARG   9   5.232  10.135  14.917
   72   2HD   ARG   9          1HD       ARG   9   6.670   9.997  13.902
   73    HE   ARG   9           HE       ARG   9   5.660  12.685  14.249
   74   1HH1  ARG   9          1HH1      ARG   9   7.825  10.215  15.473
   75   2HH1  ARG   9          2HH1      ARG   9   8.920  11.364  16.197
   76   1HH2  ARG   9          1HH2      ARG   9   7.093  14.190  15.195
   77   2HH2  ARG   9          2HH2      ARG   9   8.496  13.614  16.050
   78    H    ILE  10           H        ILE  10   5.414   8.486   9.488
   79    HA   ILE  10           HA       ILE  10   4.070   6.038   9.122
   80    HB   ILE  10           HB       ILE  10   5.595   7.663   7.074
   81   1HG1  ILE  10          2HG1      ILE  10   2.667   7.732   7.840
   82   2HG1  ILE  10          1HG1      ILE  10   3.856   8.962   8.257
   83   1HG2  ILE  10          1HG2      ILE  10   4.085   6.574   5.445
   84   2HG2  ILE  10          2HG2      ILE  10   3.465   5.556   6.745
   85   3HG2  ILE  10          3HG2      ILE  10   5.156   5.433   6.260
   86   1HD1  ILE  10          1HD1      ILE  10   2.456   9.627   6.368
   87   2HD1  ILE  10          2HD1      ILE  10   3.020   8.221   5.464
   88   3HD1  ILE  10          3HD1      ILE  10   4.154   9.494   5.913
   89    H    LYS  11           H        LYS  11   7.454   6.989   8.722
   90    HA   LYS  11           HA       LYS  11   8.475   4.637   7.653
   91   1HB   LYS  11          2HB       LYS  11   9.700   6.811   7.950
   92   2HB   LYS  11          1HB       LYS  11   9.891   6.411   9.650
   93   1HG   LYS  11          2HG       LYS  11  11.182   4.433   9.054
   94   2HG   LYS  11          1HG       LYS  11  10.961   4.800   7.342
   95   1HD   LYS  11          2HD       LYS  11  12.134   6.958   7.705
   96   2HD   LYS  11          1HD       LYS  11  12.440   6.474   9.374
   97   1HE   LYS  11          2HE       LYS  11  13.666   4.500   8.541
   98   2HE   LYS  11          1HE       LYS  11  13.403   5.058   6.889
   99   1HZ   LYS  11          1HZ       LYS  11  14.645   7.094   7.458
  100   2HZ   LYS  11          2HZ       LYS  11  15.585   5.694   7.621
  101   3HZ   LYS  11          3HZ       LYS  11  14.967   6.458   8.999
  102    H    TRP  12           H        TRP  12   7.779   5.450  11.032
  103    HA   TRP  12           HA       TRP  12   8.908   3.138  12.192
  104   1HB   TRP  12          2HB       TRP  12   6.804   5.077  13.081
  105   2HB   TRP  12          1HB       TRP  12   7.082   3.611  14.000
  106    HD1  TRP  12           HD       TRP  12   9.182   6.637  12.729
  107    HE1  TRP  12           1HE      TRP  12  10.958   7.144  14.532
  108    HE3  TRP  12           3HE      TRP  12   8.130   2.841  15.949
  109    HZ2  TRP  12           2HZ      TRP  12  11.793   6.050  17.007
  110    HZ3  TRP  12           3HZ      TRP  12   9.450   2.620  18.020
  111    HH2  TRP  12           HH       TRP  12  11.248   4.199  18.538
  112    H    ALA  13           H        ALA  13   5.740   3.778  10.805
  113    HA   ALA  13           HA       ALA  13   4.569   1.306  11.603
  114   1HB   ALA  13          1HB       ALA  13   2.786   1.868  10.025
  115   2HB   ALA  13          2HB       ALA  13   3.768   3.185   9.381
  116   3HB   ALA  13          3HB       ALA  13   3.198   3.244  11.049
  117    H    CYS  14           H        CYS  14   6.239   2.431   8.713
  118    HA   CYS  14           HA       CYS  14   5.848   0.083   7.174
  119   1HB   CYS  14          2HB       CYS  14   8.093   2.104   6.982
  120   2HB   CYS  14          1HB       CYS  14   7.596   0.973   5.727
  121    HG   CYS  14           HG       CYS  14   5.761   3.617   6.893
  122    H    ARG  15           H        ARG  15   8.425   1.174   9.343
  123    HA   ARG  15           HA       ARG  15   9.897  -1.298   9.014
  124   1HB   ARG  15          2HB       ARG  15  10.990   0.956   9.364
  125   2HB   ARG  15          1HB       ARG  15  10.407   0.906  11.022
  126   1HG   ARG  15          2HG       ARG  15  11.687  -1.157  11.392
  127   2HG   ARG  15          1HG       ARG  15  12.296  -1.059   9.741
  128   1HD   ARG  15          2HD       ARG  15  13.378   1.056  10.243
  129   2HD   ARG  15          1HD       ARG  15  12.719   1.024  11.880
  130    HE   ARG  15           HE       ARG  15  14.049  -1.180  12.023
  131   1HH1  ARG  15          1HH1      ARG  15  15.041   1.688  10.283
  132   2HH1  ARG  15          2HH1      ARG  15  16.740   1.321  10.401
  133   1HH2  ARG  15          1HH2      ARG  15  16.244  -1.660  12.212
  134   2HH2  ARG  15          2HH2      ARG  15  17.434  -0.594  11.511
  135    H    ARG  16           H        ARG  16   7.167  -1.371  10.071
  136    HA   ARG  16           HA       ARG  16   7.120  -1.996  12.803
  137   1HB   ARG  16          2HB       ARG  16   5.061  -1.721  11.590
  138   2HB   ARG  16          1HB       ARG  16   5.474  -3.027  10.488
  139   1HG   ARG  16          2HG       ARG  16   5.404  -4.582  12.448
  140   2HG   ARG  16          1HG       ARG  16   4.749  -3.242  13.394
  141   1HD   ARG  16          2HD       ARG  16   2.793  -3.145  12.097
  142   2HD   ARG  16          1HD       ARG  16   3.498  -4.126  10.809
  143    HE   ARG  16           HE       ARG  16   3.034  -5.294  13.465
  144   1HH1  ARG  16          1HH1      ARG  16   2.324  -5.165  10.049
  145   2HH1  ARG  16          2HH1      ARG  16   1.549  -6.711  10.006
  146   1HH2  ARG  16          1HH2      ARG  16   2.001  -7.320  13.452
  147   2HH2  ARG  16          2HH2      ARG  16   1.306  -7.923  11.976
  148    H    GLY  17           H        GLY  17   7.900  -3.919   9.962
  149   1HA   GLY  17          2HA       GLY  17   9.684  -5.672  10.924
  150   2HA   GLY  17          1HA       GLY  17   8.172  -6.362  11.505
  151    H    MET  18           H        MET  18   6.702  -5.367   9.162
  152    HA   MET  18           HA       MET  18   7.247  -7.540   7.368
  153   1HB   MET  18          2HB       MET  18   4.940  -6.754   7.906
  154   2HB   MET  18          1HB       MET  18   5.287  -5.249   7.069
  155   1HG   MET  18          2HG       MET  18   3.984  -6.781   5.694
  156   2HG   MET  18          1HG       MET  18   5.556  -6.432   4.981
  157   1HE   MET  18          1HE       MET  18   4.680 -10.162   3.961
  158   2HE   MET  18          2HE       MET  18   5.039  -8.548   3.349
  159   3HE   MET  18          3HE       MET  18   3.534  -8.847   4.219
  160    H    LEU  19           H        LEU  19   9.490  -6.689   7.067
  161    HA   LEU  19           HA       LEU  19  10.013  -4.299   5.689
  162   1HB   LEU  19          2HB       LEU  19  11.627  -6.828   5.937
  163   2HB   LEU  19          1HB       LEU  19  12.232  -5.339   5.250
  164    HG   LEU  19           HG       LEU  19  11.325  -5.724   8.102
  165   1HD1  LEU  19          1HD1      LEU  19  13.456  -6.808   7.593
  166   2HD1  LEU  19          2HD1      LEU  19  13.674  -5.420   8.659
  167   3HD1  LEU  19          3HD1      LEU  19  14.074  -5.290   6.945
  168   1HD2  LEU  19          1HD2      LEU  19  12.123  -3.462   8.482
  169   2HD2  LEU  19          2HD2      LEU  19  10.849  -3.465   7.262
  170   3HD2  LEU  19          3HD2      LEU  19  12.536  -3.301   6.775
  171    H    GLU  20           H        GLU  20   9.011  -7.408   4.607
  172    HA   GLU  20           HA       GLU  20   9.786  -7.379   1.939
  173   1HB   GLU  20          2HB       GLU  20   7.157  -8.388   3.046
  174   2HB   GLU  20          1HB       GLU  20   7.868  -8.833   1.501
  175   1HG   GLU  20          2HG       GLU  20   9.826  -9.746   2.800
  176   2HG   GLU  20          1HG       GLU  20   8.851  -9.520   4.252
  177    H    LEU  21           H        LEU  21   7.189  -5.677   3.568
  178    HA   LEU  21           HA       LEU  21   6.281  -4.552   1.031
  179   1HB   LEU  21          2HB       LEU  21   5.153  -4.311   3.819
  180   2HB   LEU  21          1HB       LEU  21   4.479  -3.515   2.410
  181    HG   LEU  21           HG       LEU  21   4.641  -6.491   2.874
  182   1HD1  LEU  21          1HD1      LEU  21   2.291  -4.613   2.729
  183   2HD1  LEU  21          2HD1      LEU  21   2.921  -5.380   4.187
  184   3HD1  LEU  21          3HD1      LEU  21   2.206  -6.364   2.910
  185   1HD2  LEU  21          1HD2      LEU  21   4.979  -6.000   0.519
  186   2HD2  LEU  21          2HD2      LEU  21   3.557  -4.956   0.514
  187   3HD2  LEU  21          3HD2      LEU  21   3.377  -6.690   0.779
  188    H    ASP  22           H        ASP  22   7.931  -3.684   3.980
  189    HA   ASP  22           HA       ASP  22   7.856  -0.947   4.002
  190   1HB   ASP  22          2HB       ASP  22   8.990  -2.103   5.747
  191   2HB   ASP  22          1HB       ASP  22  10.123  -2.838   4.620
  192    H    VAL  23           H        VAL  23   9.968  -2.987   2.037
  193    HA   VAL  23           HA       VAL  23  11.401  -0.774   0.931
  194    HB   VAL  23           HB       VAL  23  12.454  -2.446  -0.541
  195   1HG1  VAL  23          1HG1      VAL  23  13.610  -3.661   1.234
  196   2HG1  VAL  23          2HG1      VAL  23  12.324  -3.245   2.366
  197   3HG1  VAL  23          3HG1      VAL  23  13.346  -1.977   1.689
  198   1HG2  VAL  23          1HG2      VAL  23  10.620  -4.405   0.846
  199   2HG2  VAL  23          2HG2      VAL  23  11.946  -4.828  -0.238
  200   3HG2  VAL  23          3HG2      VAL  23  10.551  -3.943  -0.854
  201    H    VAL  24           H        VAL  24   8.364  -2.057   0.191
  202    HA   VAL  24           HA       VAL  24   8.586  -1.061  -2.575
  203    HB   VAL  24           HB       VAL  24   6.756  -2.528  -3.238
  204   1HG1  VAL  24          1HG1      VAL  24   9.067  -3.298  -3.441
  205   2HG1  VAL  24          2HG1      VAL  24   7.951  -4.634  -3.162
  206   3HG1  VAL  24          3HG1      VAL  24   8.958  -4.035  -1.844
  207   1HG2  VAL  24          1HG2      VAL  24   5.547  -2.690  -1.139
  208   2HG2  VAL  24          2HG2      VAL  24   6.878  -3.597  -0.421
  209   3HG2  VAL  24          3HG2      VAL  24   5.945  -4.300  -1.742
  210    H    ILE  25           H        ILE  25   6.947  -0.645   0.427
  211    HA   ILE  25           HA       ILE  25   4.566   0.535  -0.595
  212    HB   ILE  25           HB       ILE  25   5.875   0.746   2.117
  213   1HG1  ILE  25          2HG1      ILE  25   3.405  -0.722   1.163
  214   2HG1  ILE  25          1HG1      ILE  25   4.963  -1.458   1.510
  215   1HG2  ILE  25          1HG2      ILE  25   4.610   2.773   1.773
  216   2HG2  ILE  25          2HG2      ILE  25   3.755   1.731   2.910
  217   3HG2  ILE  25          3HG2      ILE  25   3.207   1.847   1.237
  218   1HD1  ILE  25          1HD1      ILE  25   3.396  -1.813   3.326
  219   2HD1  ILE  25          2HD1      ILE  25   3.194  -0.071   3.504
  220   3HD1  ILE  25          3HD1      ILE  25   4.753  -0.817   3.854
  221    H    MET  26           H        MET  26   7.711   1.829   0.335
  222    HA   MET  26           HA       MET  26   7.055   4.510   0.571
  223   1HB   MET  26          2HB       MET  26   9.636   3.203  -0.256
  224   2HB   MET  26          1HB       MET  26   9.486   4.936  -0.012
  225   1HG   MET  26          2HG       MET  26   8.862   2.879   2.091
  226   2HG   MET  26          1HG       MET  26  10.422   3.676   1.921
  227   1HE   MET  26          1HE       MET  26   6.521   5.560   3.480
  228   2HE   MET  26          2HE       MET  26   6.873   3.836   3.387
  229   3HE   MET  26          3HE       MET  26   6.578   4.757   1.911
  230    HA   PRO  27           HA       PRO  27   8.216   5.263  -4.107
  231   1HB   PRO  27          2HB       PRO  27   7.735   3.075  -5.736
  232   2HB   PRO  27          1HB       PRO  27   9.330   3.599  -5.191
  233   1HG   PRO  27          2HG       PRO  27   7.571   1.441  -4.119
  234   2HG   PRO  27          1HG       PRO  27   9.335   1.464  -4.311
  235   1HD   PRO  27          2HD       PRO  27   8.175   1.829  -1.915
  236   2HD   PRO  27          1HD       PRO  27   9.655   2.694  -2.373
  237    H    PHE  28           H        PHE  28   5.762   2.735  -3.547
  238    HA   PHE  28           HA       PHE  28   3.892   3.791  -5.389
  239   1HB   PHE  28          2HB       PHE  28   3.636   1.879  -3.080
  240   2HB   PHE  28          1HB       PHE  28   2.238   2.378  -4.026
  241    HD1  PHE  28           2HD      PHE  28   5.529   0.696  -4.239
  242    HD2  PHE  28           1HD      PHE  28   1.774   1.403  -6.108
  243    HE1  PHE  28           2HE      PHE  28   6.037  -1.045  -5.906
  244    HE2  PHE  28           1HE      PHE  28   2.271  -0.336  -7.771
  245    HZ   PHE  28           HZ       PHE  28   4.404  -1.563  -7.674
  246    H    PHE  29           H        PHE  29   4.360   4.229  -1.914
  247    HA   PHE  29           HA       PHE  29   2.098   5.767  -1.377
  248   1HB   PHE  29          2HB       PHE  29   3.521   4.916   0.404
  249   2HB   PHE  29          1HB       PHE  29   4.858   5.918  -0.149
  250    HD1  PHE  29           1HD      PHE  29   1.402   6.109   1.198
  251    HD2  PHE  29           2HD      PHE  29   5.152   8.055   0.702
  252    HE1  PHE  29           1HE      PHE  29   0.658   7.919   2.692
  253    HE2  PHE  29           2HE      PHE  29   4.418   9.868   2.191
  254    HZ   PHE  29           HZ       PHE  29   2.167   9.799   3.190
  255    H    GLU  30           H        GLU  30   5.325   6.779  -2.443
  256    HA   GLU  30           HA       GLU  30   4.893   9.542  -2.341
  257   1HB   GLU  30          2HB       GLU  30   6.727   7.919  -4.106
  258   2HB   GLU  30          1HB       GLU  30   6.810   9.655  -3.914
  259   1HG   GLU  30          2HG       GLU  30   6.946   7.887  -1.566
  260   2HG   GLU  30          1HG       GLU  30   8.369   8.181  -2.543
  261    H    GLU  31           H        GLU  31   4.479   7.271  -5.057
  262    HA   GLU  31           HA       GLU  31   3.668   9.341  -6.846
  263   1HB   GLU  31          2HB       GLU  31   3.010   7.534  -8.387
  264   2HB   GLU  31          1HB       GLU  31   4.649   7.356  -7.777
  265   1HG   GLU  31          2HG       GLU  31   4.164   5.480  -6.614
  266   2HG   GLU  31          1HG       GLU  31   2.493   5.951  -6.317
  267    H    CYS  32           H        CYS  32   1.856   6.921  -4.960
  268    HA   CYS  32           HA       CYS  32  -0.641   7.625  -6.147
  269   1HB   CYS  32          2HB       CYS  32  -0.002   6.038  -3.653
  270   2HB   CYS  32          1HB       CYS  32  -1.618   6.212  -4.326
  271    HG   CYS  32           HG       CYS  32   0.678   5.092  -6.510
  272    H    PHE  33           H        PHE  33   1.101   8.670  -3.286
  273    HA   PHE  33           HA       PHE  33  -0.927   9.992  -1.914
  274   1HB   PHE  33          2HB       PHE  33   1.315   9.665  -0.984
  275   2HB   PHE  33          1HB       PHE  33   1.982  10.797  -2.152
  276    HD1  PHE  33           2HD      PHE  33  -0.635  10.627   0.501
  277    HD2  PHE  33           1HD      PHE  33   2.291  12.982  -1.498
  278    HE1  PHE  33           2HE      PHE  33  -1.054  12.474   2.073
  279    HE2  PHE  33           1HE      PHE  33   1.879  14.832   0.069
  280    HZ   PHE  33           HZ       PHE  33   0.204  14.582   1.858
  281    H    ASP  34           H        ASP  34   0.878  10.961  -4.744
  282    HA   ASP  34           HA       ASP  34   0.246  13.678  -4.839
  283   1HB   ASP  34          2HB       ASP  34   1.872  12.467  -6.317
  284   2HB   ASP  34          1HB       ASP  34   0.501  11.824  -7.215
  285    H    SER  35           H        SER  35  -1.707  10.881  -5.504
  286    HA   SER  35           HA       SER  35  -3.892  12.623  -6.414
  287   1HB   SER  35          2HB       SER  35  -4.923  10.380  -7.143
  288   2HB   SER  35          1HB       SER  35  -3.554  10.990  -8.071
  289    HG   SER  35           HG       SER  35  -2.907   9.372  -5.919
  290    H    LEU  36           H        LEU  36  -2.837  10.614  -3.842
  291    HA   LEU  36           HA       LEU  36  -5.528  10.387  -2.706
  292   1HB   LEU  36          2HB       LEU  36  -2.888   9.258  -1.761
  293   2HB   LEU  36          1HB       LEU  36  -4.436   8.981  -0.987
  294    HG   LEU  36           HG       LEU  36  -3.707   8.093  -3.782
  295   1HD1  LEU  36          1HD1      LEU  36  -2.473   6.857  -2.090
  296   2HD1  LEU  36          2HD1      LEU  36  -3.714   5.839  -2.820
  297   3HD1  LEU  36          3HD1      LEU  36  -3.970   6.528  -1.217
  298   1HD2  LEU  36          1HD2      LEU  36  -6.147   7.512  -2.101
  299   2HD2  LEU  36          2HD2      LEU  36  -5.799   6.845  -3.696
  300   3HD2  LEU  36          3HD2      LEU  36  -6.096   8.573  -3.509
  301    H    THR  37           H        THR  37  -6.226  11.878  -1.331
  302    HA   THR  37           HA       THR  37  -4.410  13.958  -0.509
  303    HB   THR  37           HB       THR  37  -7.112  14.063   0.622
  304    HG1  THR  37           1HG      THR  37  -7.265  14.561  -2.080
  305   1HG2  THR  37          1HG2      THR  37  -5.564  15.873  -1.245
  306   2HG2  THR  37          2HG2      THR  37  -5.601  15.991   0.515
  307   3HG2  THR  37          3HG2      THR  37  -7.067  16.285  -0.419
  308    H    GLU  38           H        GLU  38  -4.886  14.822   1.870
  309    HA   GLU  38           HA       GLU  38  -3.538  12.991   3.517
  310   1HB   GLU  38          2HB       GLU  38  -4.950  15.561   4.206
  311   2HB   GLU  38          1HB       GLU  38  -3.870  14.693   5.284
  312   1HG   GLU  38          2HG       GLU  38  -2.065  14.966   3.674
  313   2HG   GLU  38          1HG       GLU  38  -3.143  15.863   2.615
  314    H    SER  39           H        SER  39  -6.936  13.941   3.396
  315    HA   SER  39           HA       SER  39  -7.891  12.538   5.597
  316   1HB   SER  39          2HB       SER  39  -9.273  12.810   2.919
  317   2HB   SER  39          1HB       SER  39 -10.034  12.605   4.494
  318    HG   SER  39           HG       SER  39  -9.559  14.651   5.027
  319    H    GLU  40           H        GLU  40  -7.144  11.434   2.338
  320    HA   GLU  40           HA       GLU  40  -8.027   8.745   2.696
  321   1HB   GLU  40          2HB       GLU  40  -6.019   9.881   0.737
  322   2HB   GLU  40          1HB       GLU  40  -6.812   8.322   0.602
  323   1HG   GLU  40          2HG       GLU  40  -8.236  10.966   0.577
  324   2HG   GLU  40          1HG       GLU  40  -7.762  10.067  -0.862
  325    H    GLN  41           H        GLN  41  -4.881  10.375   2.821
  326    HA   GLN  41           HA       GLN  41  -3.222   8.258   3.327
  327   1HB   GLN  41          2HB       GLN  41  -2.549  10.532   2.723
  328   2HB   GLN  41          1HB       GLN  41  -3.124  11.124   4.276
  329   1HG   GLN  41          2HG       GLN  41  -1.506   9.597   5.341
  330   2HG   GLN  41          1HG       GLN  41  -0.850   9.288   3.741
  331   1HE2  GLN  41          1HE2      GLN  41   1.162  10.174   4.272
  332   2HE2  GLN  41          2HE2      GLN  41   1.394  11.874   4.467
  333    H    ASP  42           H        ASP  42  -5.110  10.254   5.544
  334    HA   ASP  42           HA       ASP  42  -4.019   9.437   7.981
  335   1HB   ASP  42          2HB       ASP  42  -5.593  11.363   7.556
  336   2HB   ASP  42          1HB       ASP  42  -6.905  10.196   7.479
  337    H    ASP  43           H        ASP  43  -6.654   8.049   6.096
  338    HA   ASP  43           HA       ASP  43  -7.368   6.068   8.009
  339   1HB   ASP  43          2HB       ASP  43  -8.664   6.980   5.907
  340   2HB   ASP  43          1HB       ASP  43  -7.806   5.695   5.064
  341    H    PHE  44           H        PHE  44  -5.241   6.152   5.210
  342    HA   PHE  44           HA       PHE  44  -4.520   3.432   5.156
  343   1HB   PHE  44          2HB       PHE  44  -4.128   4.853   3.244
  344   2HB   PHE  44          1HB       PHE  44  -3.077   5.904   4.182
  345    HD1  PHE  44           1HD      PHE  44  -3.294   2.241   3.430
  346    HD2  PHE  44           2HD      PHE  44  -0.862   5.728   3.677
  347    HE1  PHE  44           1HE      PHE  44  -1.344   0.931   2.692
  348    HE2  PHE  44           2HE      PHE  44   1.093   4.424   2.950
  349    HZ   PHE  44           HZ       PHE  44   0.855   2.023   2.454
  350    H    VAL  45           H        VAL  45  -2.959   6.237   6.698
  351    HA   VAL  45           HA       VAL  45  -0.748   4.846   7.751
  352    HB   VAL  45           HB       VAL  45  -2.106   7.321   8.839
  353   1HG1  VAL  45          1HG1      VAL  45   0.639   6.209   9.415
  354   2HG1  VAL  45          2HG1      VAL  45  -0.716   6.278  10.541
  355   3HG1  VAL  45          3HG1      VAL  45   0.027   7.770   9.965
  356   1HG2  VAL  45          1HG2      VAL  45  -0.327   8.536   7.674
  357   2HG2  VAL  45          2HG2      VAL  45  -1.325   7.608   6.555
  358   3HG2  VAL  45          3HG2      VAL  45   0.272   7.015   7.011
  359    H    ALA  46           H        ALA  46  -3.954   5.530   9.093
  360    HA   ALA  46           HA       ALA  46  -3.619   4.437  11.631
  361   1HB   ALA  46          1HB       ALA  46  -6.109   4.349   9.930
  362   2HB   ALA  46          2HB       ALA  46  -5.597   5.708  10.929
  363   3HB   ALA  46          3HB       ALA  46  -6.037   4.177  11.685
  364    H    LEU  47           H        LEU  47  -4.246   2.828   8.551
  365    HA   LEU  47           HA       LEU  47  -4.727   0.242   9.623
  366   1HB   LEU  47          2HB       LEU  47  -5.371   0.842   7.346
  367   2HB   LEU  47          1HB       LEU  47  -3.687   1.062   6.916
  368    HG   LEU  47           HG       LEU  47  -3.309  -1.362   7.385
  369   1HD1  LEU  47          1HD1      LEU  47  -6.316  -1.406   7.600
  370   2HD1  LEU  47          2HD1      LEU  47  -5.162  -1.780   8.882
  371   3HD1  LEU  47          3HD1      LEU  47  -5.282  -2.827   7.468
  372   1HD2  LEU  47          1HD2      LEU  47  -5.365  -0.687   5.285
  373   2HD2  LEU  47          2HD2      LEU  47  -4.377  -2.147   5.320
  374   3HD2  LEU  47          3HD2      LEU  47  -3.612  -0.571   5.112
  375    H    LEU  48           H        LEU  48  -1.806   1.875   8.479
  376    HA   LEU  48           HA       LEU  48  -0.107  -0.373   8.526
  377   1HB   LEU  48          2HB       LEU  48   0.562   2.558   8.759
  378   2HB   LEU  48          1HB       LEU  48   1.729   1.285   8.463
  379    HG   LEU  48           HG       LEU  48  -0.534   2.057   6.616
  380   1HD1  LEU  48          1HD1      LEU  48   1.227   3.734   6.691
  381   2HD1  LEU  48          2HD1      LEU  48   1.264   2.863   5.157
  382   3HD1  LEU  48          3HD1      LEU  48   2.445   2.488   6.412
  383   1HD2  LEU  48          1HD2      LEU  48   1.684   0.037   6.287
  384   2HD2  LEU  48          2HD2      LEU  48   0.538   0.519   5.036
  385   3HD2  LEU  48          3HD2      LEU  48  -0.033  -0.321   6.478
  386    H    GLU  49           H        GLU  49  -1.221   1.694  11.059
  387    HA   GLU  49           HA       GLU  49   0.871   1.135  12.909
  388   1HB   GLU  49          2HB       GLU  49  -1.968   2.062  13.357
  389   2HB   GLU  49          1HB       GLU  49  -0.734   1.998  14.607
  390   1HG   GLU  49          2HG       GLU  49   0.611   3.611  13.374
  391   2HG   GLU  49          1HG       GLU  49  -0.610   3.666  12.105
  392    H    SER  50           H        SER  50  -1.792  -0.646  11.760
  393    HA   SER  50           HA       SER  50  -1.562  -2.566  13.979
  394   1HB   SER  50          2HB       SER  50  -3.787  -2.103  11.978
  395   2HB   SER  50          1HB       SER  50  -3.746  -3.463  13.101
  396    HG   SER  50           HG       SER  50  -3.656  -0.721  13.862
  397    H    ASP  51           H        ASP  51  -2.604  -4.793  12.680
  398    HA   ASP  51           HA       ASP  51  -0.426  -5.719  11.104
  399   1HB   ASP  51          2HB       ASP  51  -3.053  -6.858  11.962
  400   2HB   ASP  51          1HB       ASP  51  -2.201  -7.625  10.626
  401    H    ASP  52           H        ASP  52  -0.779  -6.727   8.941
  402    HA   ASP  52           HA       ASP  52  -2.375  -4.900   7.270
  403   1HB   ASP  52          2HB       ASP  52  -0.546  -5.130   5.593
  404   2HB   ASP  52          1HB       ASP  52  -0.021  -4.376   7.094
  405    HA   PRO  53           HA       PRO  53  -3.255  -9.372   6.035
  406   1HB   PRO  53          2HB       PRO  53  -5.728  -9.756   7.030
  407   2HB   PRO  53          1HB       PRO  53  -4.274 -10.076   7.982
  408   1HG   PRO  53          2HG       PRO  53  -6.135  -7.750   8.088
  409   2HG   PRO  53          1HG       PRO  53  -5.292  -8.578   9.409
  410   1HD   PRO  53          2HD       PRO  53  -4.487  -6.193   8.265
  411   2HD   PRO  53          1HD       PRO  53  -3.434  -7.290   9.174
  412    H    ASP  54           H        ASP  54  -5.403  -6.602   6.271
  413    HA   ASP  54           HA       ASP  54  -7.070  -7.121   4.077
  414   1HB   ASP  54          2HB       ASP  54  -6.155  -4.394   5.022
  415   2HB   ASP  54          1HB       ASP  54  -7.659  -4.787   4.196
  416    H    LEU  55           H        LEU  55  -4.048  -5.339   4.380
  417    HA   LEU  55           HA       LEU  55  -3.870  -4.509   1.686
  418   1HB   LEU  55          2HB       LEU  55  -2.616  -3.775   3.901
  419   2HB   LEU  55          1HB       LEU  55  -1.454  -4.980   3.389
  420    HG   LEU  55           HG       LEU  55  -2.290  -2.654   1.662
  421   1HD1  LEU  55          1HD1      LEU  55  -1.268  -1.827   3.711
  422   2HD1  LEU  55          2HD1      LEU  55  -0.199  -1.594   2.328
  423   3HD1  LEU  55          3HD1      LEU  55   0.108  -2.904   3.468
  424   1HD2  LEU  55          1HD2      LEU  55  -1.331  -4.560   0.461
  425   2HD2  LEU  55          2HD2      LEU  55   0.080  -4.515   1.518
  426   3HD2  LEU  55          3HD2      LEU  55  -0.251  -3.166   0.431
  427    H    PHE  56           H        PHE  56  -2.376  -7.164   3.494
  428    HA   PHE  56           HA       PHE  56  -0.851  -8.273   1.447
  429   1HB   PHE  56          2HB       PHE  56  -0.617  -8.821   3.830
  430   2HB   PHE  56          1HB       PHE  56  -2.169  -9.646   3.797
  431    HD1  PHE  56           1HD      PHE  56   1.200  -9.717   2.224
  432    HD2  PHE  56           2HD      PHE  56  -2.246 -11.920   3.405
  433    HE1  PHE  56           1HE      PHE  56   2.352 -11.815   1.660
  434    HE2  PHE  56           2HE      PHE  56  -1.101 -14.021   2.835
  435    HZ   PHE  56           HZ       PHE  56   1.202 -13.969   1.963
  436    H    ALA  57           H        ALA  57  -4.174  -9.060   2.445
  437    HA   ALA  57           HA       ALA  57  -4.429 -11.249   0.633
  438   1HB   ALA  57          1HB       ALA  57  -6.764 -11.283   1.301
  439   2HB   ALA  57          2HB       ALA  57  -6.581  -9.711   2.077
  440   3HB   ALA  57          3HB       ALA  57  -5.713 -11.110   2.708
  441    H    TRP  58           H        TRP  58  -5.214  -7.814   0.384
  442    HA   TRP  58           HA       TRP  58  -6.838  -8.315  -1.949
  443   1HB   TRP  58          2HB       TRP  58  -6.158  -5.818  -0.433
  444   2HB   TRP  58          1HB       TRP  58  -6.940  -5.739  -2.014
  445    HD1  TRP  58           HD       TRP  58  -7.537  -7.651   1.304
  446    HE1  TRP  58           1HE      TRP  58 -10.062  -7.699   1.757
  447    HE3  TRP  58           3HE      TRP  58  -9.154  -5.222  -2.892
  448    HZ2  TRP  58           2HZ      TRP  58 -12.432  -6.841   0.495
  449    HZ3  TRP  58           3HZ      TRP  58 -11.573  -4.887  -3.197
  450    HH2  TRP  58           HH       TRP  58 -13.176  -5.683  -1.536
  451    H    VAL  59           H        VAL  59  -3.557  -7.264  -1.316
  452    HA   VAL  59           HA       VAL  59  -2.925  -6.365  -3.903
  453    HB   VAL  59           HB       VAL  59  -1.163  -7.676  -1.820
  454   1HG1  VAL  59          1HG1      VAL  59  -0.364  -6.376  -4.428
  455   2HG1  VAL  59          2HG1      VAL  59  -0.198  -8.085  -4.030
  456   3HG1  VAL  59          3HG1      VAL  59   0.752  -6.879  -3.161
  457   1HG2  VAL  59          1HG2      VAL  59  -1.428  -4.816  -2.754
  458   2HG2  VAL  59          2HG2      VAL  59  -0.318  -5.400  -1.514
  459   3HG2  VAL  59          3HG2      VAL  59  -2.060  -5.466  -1.241
  460    H    MET  60           H        MET  60  -2.895  -9.620  -2.513
  461    HA   MET  60           HA       MET  60  -2.159 -10.788  -5.056
  462   1HB   MET  60          2HB       MET  60  -3.013 -12.065  -2.451
  463   2HB   MET  60          1HB       MET  60  -2.508 -12.957  -3.878
  464   1HG   MET  60          2HG       MET  60  -0.324 -11.737  -3.752
  465   2HG   MET  60          1HG       MET  60  -0.850 -11.110  -2.192
  466   1HE   MET  60          1HE       MET  60  -2.512 -13.601  -1.088
  467   2HE   MET  60          2HE       MET  60  -1.385 -12.707  -0.067
  468   3HE   MET  60          3HE       MET  60  -1.293 -14.465  -0.150
  469    H    GLY  61           H        GLY  61  -5.036  -9.924  -3.366
  470   1HA   GLY  61          2HA       GLY  61  -7.117  -9.633  -4.372
  471   2HA   GLY  61          1HA       GLY  61  -6.555 -10.561  -5.753
  472    H    HIS  62           H        HIS  62  -6.863 -11.319  -2.275
  473    HA   HIS  62           HA       HIS  62  -9.025 -13.150  -2.751
  474   1HB   HIS  62          2HB       HIS  62  -6.649 -14.238  -3.373
  475   2HB   HIS  62          1HB       HIS  62  -6.642 -14.541  -1.642
  476    HD1  HIS  62           1HD      HIS  62  -7.505 -16.163  -4.638
  477    HD2  HIS  62           2HD      HIS  62  -9.344 -15.817  -0.917
  478    HE1  HIS  62           1HE      HIS  62  -9.115 -18.093  -4.490
  479    HE2  HIS  62           2HE      HIS  62 -10.361 -17.735  -2.324
  480    H    GLY  63           H        GLY  63 -10.024 -11.962  -1.087
  481   1HA   GLY  63          2HA       GLY  63 -10.036 -12.951   1.439
  482   2HA   GLY  63          1HA       GLY  63  -8.772 -11.730   1.505
  483    H    ARG  64           H        ARG  64 -10.712 -11.238   3.179
  484    HA   ARG  64           HA       ARG  64 -12.572  -9.400   1.828
  485   1HB   ARG  64          2HB       ARG  64 -13.950  -9.519   3.852
  486   2HB   ARG  64          1HB       ARG  64 -13.684 -11.116   3.169
  487   1HG   ARG  64          2HG       ARG  64 -12.030 -11.612   4.848
  488   2HG   ARG  64          1HG       ARG  64 -12.147  -9.974   5.492
  489   1HD   ARG  64          2HD       ARG  64 -14.494 -11.849   5.372
  490   2HD   ARG  64          1HD       ARG  64 -13.399 -11.785   6.750
  491    HE   ARG  64           HE       ARG  64 -14.242  -9.181   6.298
  492   1HH1  ARG  64          1HH1      ARG  64 -15.686 -12.249   7.165
  493   2HH1  ARG  64          2HH1      ARG  64 -16.988 -11.531   8.069
  494   1HH2  ARG  64          1HH2      ARG  64 -15.904  -8.224   7.511
  495   2HH2  ARG  64          2HH2      ARG  64 -17.124  -9.231   8.255
  496    H    CYS  65           H        CYS  65 -13.142  -7.448   3.124
  497    HA   CYS  65           HA       CYS  65 -11.212  -6.520   5.053
  498   1HB   CYS  65          2HB       CYS  65 -10.151  -5.959   2.852
  499   2HB   CYS  65          1HB       CYS  65 -11.563  -4.982   2.467
  500    HG   CYS  65           HG       CYS  65  -9.476  -4.398   5.120
  501    H    GLU  66           H        GLU  66 -12.036  -4.853   6.303
  502    HA   GLU  66           HA       GLU  66 -14.907  -4.592   6.163
  503   1HB   GLU  66          2HB       GLU  66 -12.976  -3.404   8.158
  504   2HB   GLU  66          1HB       GLU  66 -14.717  -3.551   8.345
  505   1HG   GLU  66          2HG       GLU  66 -12.711  -5.789   8.235
  506   2HG   GLU  66          1HG       GLU  66 -13.651  -5.264   9.632
  507    H    ASN  67           H        ASN  67 -12.073  -2.580   5.774
  508    HA   ASN  67           HA       ASN  67 -13.760  -0.259   5.183
  509   1HB   ASN  67          2HB       ASN  67 -10.825  -0.501   5.849
  510   2HB   ASN  67          1HB       ASN  67 -11.560   0.998   5.291
  511   1HD2  ASN  67          1HD2      ASN  67 -10.267   0.315   7.843
  512   2HD2  ASN  67          2HD2      ASN  67 -11.436   0.666   9.066
  513    H    LEU  68           H        LEU  68 -14.334  -0.239   3.116
  514    HA   LEU  68           HA       LEU  68 -12.709  -1.396   1.064
  515   1HB   LEU  68          2HB       LEU  68 -15.243   0.223   0.943
  516   2HB   LEU  68          1HB       LEU  68 -14.452  -0.453  -0.468
  517    HG   LEU  68           HG       LEU  68 -15.683  -1.985   1.822
  518   1HD1  LEU  68          1HD1      LEU  68 -16.400  -1.810  -1.101
  519   2HD1  LEU  68          2HD1      LEU  68 -17.291  -1.080   0.235
  520   3HD1  LEU  68          3HD1      LEU  68 -17.190  -2.836   0.098
  521   1HD2  LEU  68          1HD2      LEU  68 -13.640  -3.091   1.071
  522   2HD2  LEU  68          2HD2      LEU  68 -14.215  -3.035  -0.596
  523   3HD2  LEU  68          3HD2      LEU  68 -15.073  -4.007   0.600
  524    H    GLY  69           H        GLY  69 -13.017   1.727   2.479
  525   1HA   GLY  69          2HA       GLY  69 -11.958   3.325   0.415
  526   2HA   GLY  69          1HA       GLY  69 -11.795   3.648   2.137
  527    H    LEU  70           H        LEU  70 -10.343   1.492   2.982
  528    HA   LEU  70           HA       LEU  70  -7.693   2.006   2.217
  529   1HB   LEU  70          2HB       LEU  70  -8.957  -0.353   3.609
  530   2HB   LEU  70          1HB       LEU  70  -7.228  -0.201   3.375
  531    HG   LEU  70           HG       LEU  70  -8.901   1.793   4.898
  532   1HD1  LEU  70          1HD1      LEU  70  -8.907  -0.371   6.021
  533   2HD1  LEU  70          2HD1      LEU  70  -7.914   0.792   6.901
  534   3HD1  LEU  70          3HD1      LEU  70  -7.150  -0.445   5.903
  535   1HD2  LEU  70          1HD2      LEU  70  -6.748   2.613   5.668
  536   2HD2  LEU  70          2HD2      LEU  70  -6.837   2.677   3.907
  537   3HD2  LEU  70          3HD2      LEU  70  -5.920   1.395   4.700
  538    H    ALA  71           H        ALA  71  -9.897  -0.630   1.359
  539    HA   ALA  71           HA       ALA  71  -8.173  -2.072  -0.295
  540   1HB   ALA  71          1HB       ALA  71 -10.166  -3.108  -1.214
  541   2HB   ALA  71          2HB       ALA  71 -11.166  -1.815  -0.554
  542   3HB   ALA  71          3HB       ALA  71 -10.324  -2.920   0.532
  543    H    ALA  72           H        ALA  72 -10.072   0.796  -0.916
  544    HA   ALA  72           HA       ALA  72  -9.987   0.798  -3.720
  545   1HB   ALA  72          1HB       ALA  72 -10.479   3.177  -3.560
  546   2HB   ALA  72          2HB       ALA  72 -10.063   3.156  -1.848
  547   3HB   ALA  72          3HB       ALA  72 -11.465   2.254  -2.423
  548    H    MET  73           H        MET  73  -7.741   2.205  -1.329
  549    HA   MET  73           HA       MET  73  -6.037   3.244  -3.379
  550   1HB   MET  73          2HB       MET  73  -4.526   3.907  -1.627
  551   2HB   MET  73          1HB       MET  73  -6.166   4.293  -1.145
  552   1HG   MET  73          2HG       MET  73  -5.221   3.478   0.791
  553   2HG   MET  73          1HG       MET  73  -6.077   2.077   0.154
  554   1HE   MET  73          1HE       MET  73  -1.523   2.636  -0.341
  555   2HE   MET  73          2HE       MET  73  -2.555   3.835   0.440
  556   3HE   MET  73          3HE       MET  73  -2.723   3.516  -1.286
  557    H    VAL  74           H        VAL  74  -6.237   0.255  -1.597
  558    HA   VAL  74           HA       VAL  74  -3.685  -0.766  -2.289
  559    HB   VAL  74           HB       VAL  74  -6.240  -2.276  -1.680
  560   1HG1  VAL  74          1HG1      VAL  74  -4.691  -3.704  -2.874
  561   2HG1  VAL  74          2HG1      VAL  74  -4.742  -4.176  -1.176
  562   3HG1  VAL  74          3HG1      VAL  74  -3.381  -3.237  -1.790
  563   1HG2  VAL  74          1HG2      VAL  74  -3.905  -1.568   0.095
  564   2HG2  VAL  74          2HG2      VAL  74  -5.302  -2.539   0.561
  565   3HG2  VAL  74          3HG2      VAL  74  -5.507  -0.835   0.155
  566    H    ASP  75           H        ASP  75  -6.862  -0.919  -3.810
  567    HA   ASP  75           HA       ASP  75  -6.339  -2.595  -5.961
  568   1HB   ASP  75          2HB       ASP  75  -8.579  -1.839  -5.492
  569   2HB   ASP  75          1HB       ASP  75  -8.124  -0.164  -5.770
  570    H    LYS  76           H        LYS  76  -5.660   0.820  -5.560
  571    HA   LYS  76           HA       LYS  76  -4.820   1.337  -8.211
  572   1HB   LYS  76          2HB       LYS  76  -3.948   2.779  -5.701
  573   2HB   LYS  76          1HB       LYS  76  -3.965   3.418  -7.343
  574   1HG   LYS  76          2HG       LYS  76  -6.413   3.192  -7.382
  575   2HG   LYS  76          1HG       LYS  76  -6.370   2.625  -5.714
  576   1HD   LYS  76          2HD       LYS  76  -5.294   4.790  -5.091
  577   2HD   LYS  76          1HD       LYS  76  -5.568   5.340  -6.746
  578   1HE   LYS  76          2HE       LYS  76  -7.656   4.539  -4.722
  579   2HE   LYS  76          1HE       LYS  76  -7.352   6.157  -5.352
  580   1HZ   LYS  76          1HZ       LYS  76  -8.325   3.837  -6.940
  581   2HZ   LYS  76          2HZ       LYS  76  -8.041   5.399  -7.541
  582   3HZ   LYS  76          3HZ       LYS  76  -9.272   5.138  -6.405
  583    H    ILE  77           H        ILE  77  -3.154   0.194  -5.339
  584    HA   ILE  77           HA       ILE  77  -0.544   0.169  -6.484
  585    HB   ILE  77           HB       ILE  77  -1.662  -1.477  -4.205
  586   1HG1  ILE  77          2HG1      ILE  77  -0.071   1.097  -4.163
  587   2HG1  ILE  77          1HG1      ILE  77  -1.795   0.969  -3.847
  588   1HG2  ILE  77          1HG2      ILE  77   0.351  -2.488  -5.098
  589   2HG2  ILE  77          2HG2      ILE  77   0.692  -1.752  -3.531
  590   3HG2  ILE  77          3HG2      ILE  77   1.194  -0.941  -5.015
  591   1HD1  ILE  77          1HD1      ILE  77   0.403  -0.259  -2.202
  592   2HD1  ILE  77          2HD1      ILE  77  -1.325  -0.419  -1.884
  593   3HD1  ILE  77          3HD1      ILE  77  -0.550   1.163  -1.784
  594    H    VAL  78           H        VAL  78  -3.145  -2.189  -6.141
  595    HA   VAL  78           HA       VAL  78  -1.878  -4.435  -7.210
  596    HB   VAL  78           HB       VAL  78  -4.805  -3.682  -7.341
  597   1HG1  VAL  78          1HG1      VAL  78  -3.492  -6.366  -7.756
  598   2HG1  VAL  78          2HG1      VAL  78  -4.298  -5.399  -8.992
  599   3HG1  VAL  78          3HG1      VAL  78  -5.229  -6.079  -7.657
  600   1HG2  VAL  78          1HG2      VAL  78  -5.012  -5.211  -5.412
  601   2HG2  VAL  78          2HG2      VAL  78  -4.013  -3.798  -5.068
  602   3HG2  VAL  78          3HG2      VAL  78  -3.255  -5.360  -5.380
  603    H    ALA  79           H        ALA  79  -3.465  -1.725  -8.795
  604    HA   ALA  79           HA       ALA  79  -3.643  -2.693 -11.391
  605   1HB   ALA  79          1HB       ALA  79  -2.987   0.120 -10.516
  606   2HB   ALA  79          2HB       ALA  79  -4.606  -0.560 -10.691
  607   3HB   ALA  79          3HB       ALA  79  -3.575  -0.357 -12.108
  608    H    HIS  80           H        HIS  80  -0.875  -1.169  -9.761
  609    HA   HIS  80           HA       HIS  80   0.861  -1.231 -11.992
  610   1HB   HIS  80          2HB       HIS  80   1.284  -1.036  -9.023
  611   2HB   HIS  80          1HB       HIS  80   2.646  -1.184 -10.116
  612    HD1  HIS  80           1HD      HIS  80   2.870   0.801 -11.930
  613    HD2  HIS  80           2HD      HIS  80   0.346   1.483  -8.698
  614    HE1  HIS  80           1HE      HIS  80   2.607   3.298 -11.787
  615    HE2  HIS  80           2HE      HIS  80   1.344   3.673  -9.637
  616    H    ASN  81           H        ASN  81   0.255  -3.469  -9.331
  617    HA   ASN  81           HA       ASN  81   2.307  -5.308  -9.935
  618   1HB   ASN  81          2HB       ASN  81   1.152  -5.254  -7.765
  619   2HB   ASN  81          1HB       ASN  81  -0.339  -5.772  -8.541
  620   1HD2  ASN  81          1HD2      ASN  81   2.816  -6.722  -7.452
  621   2HD2  ASN  81          2HD2      ASN  81   2.563  -8.432  -7.598
  622    H    LEU  82           H        LEU  82  -1.104  -5.157 -10.866
  623    HA   LEU  82           HA       LEU  82  -1.175  -7.538 -12.362
  624   1HB   LEU  82          2HB       LEU  82  -3.105  -6.062 -11.540
  625   2HB   LEU  82          1HB       LEU  82  -2.803  -5.073 -12.952
  626    HG   LEU  82           HG       LEU  82  -3.411  -8.012 -13.203
  627   1HD1  LEU  82          1HD1      LEU  82  -5.754  -7.395 -13.562
  628   2HD1  LEU  82          2HD1      LEU  82  -5.379  -5.728 -13.128
  629   3HD1  LEU  82          3HD1      LEU  82  -5.225  -7.007 -11.925
  630   1HD2  LEU  82          1HD2      LEU  82  -2.495  -6.902 -15.175
  631   2HD2  LEU  82          2HD2      LEU  82  -3.753  -5.670 -15.074
  632   3HD2  LEU  82          3HD2      LEU  82  -4.185  -7.343 -15.427
  633    H    SER  83           H        SER  83  -0.365  -4.202 -13.229
  634    HA   SER  83           HA       SER  83  -0.017  -4.657 -15.983
  635   1HB   SER  83          2HB       SER  83  -0.198  -2.395 -14.949
  636   2HB   SER  83          1HB       SER  83   1.412  -2.610 -14.263
  637    HG   SER  83           HG       SER  83   2.081  -1.810 -16.086
  638    H    LYS  84           H        LYS  84   2.209  -4.947 -13.237
  639    HA   LYS  84           HA       LYS  84   4.526  -5.619 -14.656
  640   1HB   LYS  84          2HB       LYS  84   3.528  -6.465 -11.940
  641   2HB   LYS  84          1HB       LYS  84   5.078  -7.003 -12.571
  642   1HG   LYS  84          2HG       LYS  84   5.774  -4.645 -12.779
  643   2HG   LYS  84          1HG       LYS  84   4.243  -4.159 -12.047
  644   1HD   LYS  84          2HD       LYS  84   6.074  -4.218 -10.407
  645   2HD   LYS  84          1HD       LYS  84   4.798  -5.373 -10.019
  646   1HE   LYS  84          2HE       LYS  84   6.910  -6.448  -9.676
  647   2HE   LYS  84          1HE       LYS  84   6.156  -7.155 -11.103
  648   1HZ   LYS  84          1HZ       LYS  84   7.572  -5.683 -12.477
  649   2HZ   LYS  84          2HZ       LYS  84   8.469  -6.770 -11.531
  650   3HZ   LYS  84          3HZ       LYS  84   8.348  -5.148 -11.064
  651    H    VAL  85           H        VAL  85   1.782  -7.587 -13.642
  652    HA   VAL  85           HA       VAL  85   2.891 -10.083 -14.395
  653    HB   VAL  85           HB       VAL  85  -0.029  -9.317 -14.193
  654   1HG1  VAL  85          1HG1      VAL  85   0.313 -11.379 -15.451
  655   2HG1  VAL  85          2HG1      VAL  85  -0.429 -11.706 -13.885
  656   3HG1  VAL  85          3HG1      VAL  85   1.287 -12.029 -14.133
  657   1HG2  VAL  85          1HG2      VAL  85   1.791 -10.564 -12.135
  658   2HG2  VAL  85          2HG2      VAL  85   0.066 -10.246 -11.943
  659   3HG2  VAL  85          3HG2      VAL  85   1.199  -8.904 -12.112
  660    H    ARG  86           H        ARG  86   0.833  -7.756 -16.111
  661    HA   ARG  86           HA       ARG  86   0.600  -9.422 -18.437
  662   1HB   ARG  86          2HB       ARG  86  -0.734  -7.743 -19.360
  663   2HB   ARG  86          1HB       ARG  86  -1.020  -7.570 -17.638
  664   1HG   ARG  86          2HG       ARG  86   0.534  -5.695 -17.557
  665   2HG   ARG  86          1HG       ARG  86   0.851  -5.880 -19.283
  666   1HD   ARG  86          2HD       ARG  86  -1.684  -5.585 -19.577
  667   2HD   ARG  86          1HD       ARG  86  -1.667  -4.976 -17.920
  668    HE   ARG  86           HE       ARG  86   0.179  -3.775 -19.840
  669   1HH1  ARG  86          1HH1      ARG  86  -2.794  -3.460 -17.973
  670   2HH1  ARG  86          2HH1      ARG  86  -2.841  -1.730 -18.158
  671   1HH2  ARG  86          1HH2      ARG  86   0.039  -1.545 -20.121
  672   2HH2  ARG  86          2HH2      ARG  86  -1.265  -0.656 -19.396
  673    H    LEU  87           H        LEU  87   2.849  -7.051 -17.304
  674    HA   LEU  87           HA       LEU  87   4.065  -6.508 -19.832
  675   1HB   LEU  87          2HB       LEU  87   4.183  -4.900 -18.022
  676   2HB   LEU  87          1HB       LEU  87   4.990  -6.068 -16.993
  677    HG   LEU  87           HG       LEU  87   6.903  -6.059 -18.569
  678   1HD1  LEU  87          1HD1      LEU  87   5.719  -5.329 -20.570
  679   2HD1  LEU  87          2HD1      LEU  87   7.075  -4.261 -20.211
  680   3HD1  LEU  87          3HD1      LEU  87   5.429  -3.752 -19.833
  681   1HD2  LEU  87          1HD2      LEU  87   6.946  -4.706 -16.548
  682   2HD2  LEU  87          2HD2      LEU  87   6.141  -3.386 -17.397
  683   3HD2  LEU  87          3HD2      LEU  87   7.769  -3.875 -17.867
  684    H    GLU  88           H        GLU  88   4.890  -8.530 -17.021
  685    HA   GLU  88           HA       GLU  88   7.169  -9.694 -18.264
  686   1HB   GLU  88          2HB       GLU  88   5.502 -10.640 -15.925
  687   2HB   GLU  88          1HB       GLU  88   7.018 -11.380 -16.429
  688   1HG   GLU  88          2HG       GLU  88   8.142  -9.196 -16.063
  689   2HG   GLU  88          1HG       GLU  88   6.625  -8.568 -15.425
  690    H    HIS  89           H        HIS  89   3.756 -10.336 -18.326
  691    HA   HIS  89           HA       HIS  89   2.548 -11.405 -19.940
  692   1HB   HIS  89          2HB       HIS  89   4.515 -10.327 -21.280
  693   2HB   HIS  89          1HB       HIS  89   5.097 -11.978 -21.426
  694    HD1  HIS  89           1HD      HIS  89   2.200  -9.786 -22.423
  695    HD2  HIS  89           2HD      HIS  89   3.864 -13.472 -23.383
  696    HE1  HIS  89           1HE      HIS  89   1.033 -10.528 -24.516
  697    HE2  HIS  89           2HE      HIS  89   2.264 -12.606 -25.225
  698    H    HIS  90           H        HIS  90   3.247 -12.940 -17.733
  699    HA   HIS  90           HA       HIS  90   4.297 -15.467 -18.761
  700   1HB   HIS  90          2HB       HIS  90   5.199 -14.414 -16.648
  701   2HB   HIS  90          1HB       HIS  90   3.657 -14.787 -15.887
  702    HD1  HIS  90           1HD      HIS  90   4.784 -16.394 -14.189
  703    HD2  HIS  90           2HD      HIS  90   5.335 -17.471 -18.176
  704    HE1  HIS  90           1HE      HIS  90   5.673 -18.745 -14.147
  705    HE2  HIS  90           2HE      HIS  90   5.977 -19.388 -16.563
  706    H    HIS  91           H        HIS  91   1.943 -15.160 -19.877
  707    HA   HIS  91           HA       HIS  91   0.196 -16.470 -20.436
  708   1HB   HIS  91          2HB       HIS  91   1.498 -18.203 -18.385
  709   2HB   HIS  91          1HB       HIS  91  -0.074 -18.661 -19.032
  710    HD1  HIS  91           1HD      HIS  91  -0.095 -19.811 -21.260
  711    HD2  HIS  91           2HD      HIS  91   3.564 -18.025 -20.414
  712    HE1  HIS  91           1HE      HIS  91   1.459 -20.540 -23.097
  713    HE2  HIS  91           2HE      HIS  91   3.598 -19.277 -22.678
  714    H    HIS  92           H        HIS  92   0.087 -14.685 -17.716
  715    HA   HIS  92           HA       HIS  92  -2.344 -15.844 -16.646
  716   1HB   HIS  92          2HB       HIS  92  -0.684 -14.778 -15.130
  717   2HB   HIS  92          1HB       HIS  92  -1.033 -13.225 -15.885
  718    HD1  HIS  92           1HD      HIS  92  -2.918 -11.910 -14.899
  719    HD2  HIS  92           2HD      HIS  92  -3.007 -15.910 -13.762
  720    HE1  HIS  92           1HE      HIS  92  -4.760 -12.097 -13.197
  721    HE2  HIS  92           2HE      HIS  92  -4.870 -14.541 -12.613
  722    H    HIS  93           H        HIS  93  -3.910 -15.713 -18.149
  723    HA   HIS  93           HA       HIS  93  -4.636 -13.050 -19.169
  724   1HB   HIS  93          2HB       HIS  93  -5.629 -15.802 -19.959
  725   2HB   HIS  93          1HB       HIS  93  -6.232 -14.296 -20.634
  726    HD1  HIS  93           1HD      HIS  93  -5.080 -13.465 -22.675
  727    HD2  HIS  93           2HD      HIS  93  -2.807 -16.256 -20.589
  728    HE1  HIS  93           1HE      HIS  93  -3.096 -13.954 -24.138
  729    HE2  HIS  93           2HE      HIS  93  -1.871 -15.815 -22.953
  730    H    HIS  94           H        HIS  94  -5.939 -15.883 -17.504
  731    HA   HIS  94           HA       HIS  94  -8.231 -14.258 -16.613
  732   1HB   HIS  94          2HB       HIS  94  -8.593 -16.306 -18.157
  733   2HB   HIS  94          1HB       HIS  94  -8.206 -17.268 -16.735
  734    HD1  HIS  94           1HD      HIS  94 -10.997 -16.027 -18.491
  735    HD2  HIS  94           2HD      HIS  94 -10.036 -16.358 -14.452
  736    HE1  HIS  94           1HE      HIS  94 -13.189 -15.916 -17.254
  737    HE2  HIS  94           2HE      HIS  94 -12.584 -16.058 -14.813
  Start of MODEL   15
    1   1H    MET   1          1HT       MET   1  -3.668  18.349   7.986
    2   2H    MET   1          2HT       MET   1  -3.353  18.368   6.319
    3   3H    MET   1          3HT       MET   1  -3.739  19.805   7.122
    4    HA   MET   1           HA       MET   1  -1.359  19.570   6.593
    5   1HB   MET   1          2HB       MET   1  -2.199  19.756   9.484
    6   2HB   MET   1          1HB       MET   1  -0.571  20.108   8.931
    7   1HG   MET   1          2HG       MET   1  -1.419  21.905   7.528
    8   2HG   MET   1          1HG       MET   1  -3.064  21.543   8.050
    9   1HE   MET   1          1HE       MET   1   0.499  22.776   9.218
   10   2HE   MET   1          2HE       MET   1   0.166  21.418  10.292
   11   3HE   MET   1          3HE       MET   1   0.213  23.059  10.936
   12    H    TYR   2           H        TYR   2  -0.209  17.860   5.980
   13    HA   TYR   2           HA       TYR   2   0.521  15.928   8.088
   14   1HB   TYR   2          2HB       TYR   2  -0.650  15.362   5.586
   15   2HB   TYR   2          1HB       TYR   2   1.033  14.877   5.457
   16    HD1  TYR   2           2HD      TYR   2  -1.534  14.706   8.164
   17    HD2  TYR   2           1HD      TYR   2   1.280  12.595   5.775
   18    HE1  TYR   2           2HE      TYR   2  -2.051  12.641   9.393
   19    HE2  TYR   2           1HE      TYR   2   0.773  10.521   6.999
   20    HH   TYR   2           HH       TYR   2  -1.900  10.260   9.169
   21    H    THR   3           H        THR   3   2.615  15.927   8.570
   22    HA   THR   3           HA       THR   3   4.411  17.373   6.750
   23    HB   THR   3           HB       THR   3   5.494  18.319   8.868
   24    HG1  THR   3           1HG      THR   3   3.817  16.801  10.098
   25   1HG2  THR   3          1HG2      THR   3   2.698  19.206   8.153
   26   2HG2  THR   3          2HG2      THR   3   4.170  19.655   7.290
   27   3HG2  THR   3          3HG2      THR   3   3.926  20.183   8.956
   28    H    ALA   4           H        ALA   4   6.742  17.257   8.194
   29    HA   ALA   4           HA       ALA   4   7.761  14.823   7.320
   30   1HB   ALA   4          1HB       ALA   4   9.829  15.460   8.393
   31   2HB   ALA   4          2HB       ALA   4   8.984  16.662   9.368
   32   3HB   ALA   4          3HB       ALA   4   9.092  16.862   7.619
   33    H    GLU   5           H        GLU   5   6.684  15.743  10.569
   34    HA   GLU   5           HA       GLU   5   7.744  13.554  11.954
   35   1HB   GLU   5          2HB       GLU   5   6.789  15.562  13.028
   36   2HB   GLU   5          1HB       GLU   5   5.184  15.053  12.530
   37   1HG   GLU   5          2HG       GLU   5   5.318  13.100  13.897
   38   2HG   GLU   5          1HG       GLU   5   6.990  13.456  14.317
   39    H    GLN   6           H        GLN   6   4.619  13.991  10.359
   40    HA   GLN   6           HA       GLN   6   3.621  11.419  10.968
   41   1HB   GLN   6          2HB       GLN   6   2.904  13.331   8.742
   42   2HB   GLN   6          1HB       GLN   6   2.031  11.843   9.066
   43   1HG   GLN   6          2HG       GLN   6   0.719  13.293  10.206
   44   2HG   GLN   6          1HG       GLN   6   1.859  12.888  11.487
   45   1HE2  GLN   6          1HE2      GLN   6   0.227  15.255  11.140
   46   2HE2  GLN   6          2HE2      GLN   6   1.328  16.599  11.105
   47    H    LYS   7           H        LYS   7   5.633  12.644   8.359
   48    HA   LYS   7           HA       LYS   7   5.502  10.355   6.709
   49   1HB   LYS   7          2HB       LYS   7   7.641  12.461   7.010
   50   2HB   LYS   7          1HB       LYS   7   7.709  11.182   5.808
   51   1HG   LYS   7          2HG       LYS   7   5.516  12.023   4.924
   52   2HG   LYS   7          1HG       LYS   7   5.688  13.401   6.015
   53   1HD   LYS   7          2HD       LYS   7   7.764  14.036   4.939
   54   2HD   LYS   7          1HD       LYS   7   7.700  12.608   3.907
   55   1HE   LYS   7          2HE       LYS   7   5.565  13.465   2.963
   56   2HE   LYS   7          1HE       LYS   7   5.786  14.935   3.908
   57   1HZ   LYS   7          1HZ       LYS   7   6.557  15.225   1.645
   58   2HZ   LYS   7          2HZ       LYS   7   7.631  13.924   1.811
   59   3HZ   LYS   7          3HZ       LYS   7   7.862  15.333   2.728
   60    H    ALA   8           H        ALA   8   7.492  11.177   9.485
   61    HA   ALA   8           HA       ALA   8   9.349   9.071   9.290
   62   1HB   ALA   8          1HB       ALA   8   9.796   9.470  11.643
   63   2HB   ALA   8          2HB       ALA   8   8.308  10.405  11.787
   64   3HB   ALA   8          3HB       ALA   8   9.630  11.002  10.783
   65    H    ARG   9           H        ARG   9   6.144   9.263  10.722
   66    HA   ARG   9           HA       ARG   9   6.088   6.743  11.972
   67   1HB   ARG   9          2HB       ARG   9   3.791   8.275  10.724
   68   2HB   ARG   9          1HB       ARG   9   3.647   6.979  11.903
   69   1HG   ARG   9          2HG       ARG   9   4.503   8.294  13.632
   70   2HG   ARG   9          1HG       ARG   9   5.183   9.476  12.513
   71   1HD   ARG   9          2HD       ARG   9   3.218  10.392  13.576
   72   2HD   ARG   9          1HD       ARG   9   2.902  10.135  11.862
   73    HE   ARG   9           HE       ARG   9   1.977   8.253  13.939
   74   1HH1  ARG   9          1HH1      ARG   9   1.424  10.113  11.025
   75   2HH1  ARG   9          2HH1      ARG   9  -0.224   9.612  10.853
   76   1HH2  ARG   9          1HH2      ARG   9  -0.200   7.595  13.737
   77   2HH2  ARG   9          2HH2      ARG   9  -1.164   8.192  12.411
   78    H    ILE  10           H        ILE  10   5.370   7.797   8.707
   79    HA   ILE  10           HA       ILE  10   4.409   5.345   7.688
   80    HB   ILE  10           HB       ILE  10   5.827   7.549   6.178
   81   1HG1  ILE  10          2HG1      ILE  10   2.855   7.206   6.636
   82   2HG1  ILE  10          1HG1      ILE  10   3.868   8.299   7.573
   83   1HG2  ILE  10          1HG2      ILE  10   5.626   5.482   4.909
   84   2HG2  ILE  10          2HG2      ILE  10   4.558   6.721   4.250
   85   3HG2  ILE  10          3HG2      ILE  10   3.897   5.426   5.248
   86   1HD1  ILE  10          1HD1      ILE  10   2.665   9.482   5.832
   87   2HD1  ILE  10          2HD1      ILE  10   3.391   8.442   4.607
   88   3HD1  ILE  10          3HD1      ILE  10   4.404   9.541   5.544
   89    H    LYS  11           H        LYS  11   7.624   6.824   7.795
   90    HA   LYS  11           HA       LYS  11   9.053   4.949   6.329
   91   1HB   LYS  11          2HB       LYS  11   9.898   6.655   8.664
   92   2HB   LYS  11          1HB       LYS  11  11.027   5.665   7.751
   93   1HG   LYS  11          2HG       LYS  11  10.394   6.902   5.705
   94   2HG   LYS  11          1HG       LYS  11   9.363   7.939   6.693
   95   1HD   LYS  11          2HD       LYS  11  11.279   8.708   7.952
   96   2HD   LYS  11          1HD       LYS  11  12.336   7.595   7.077
   97   1HE   LYS  11          2HE       LYS  11  11.822   8.768   4.985
   98   2HE   LYS  11          1HE       LYS  11  10.784   9.885   5.872
   99   1HZ   LYS  11          1HZ       LYS  11  12.703  10.632   7.128
  100   2HZ   LYS  11          2HZ       LYS  11  12.983  10.821   5.466
  101   3HZ   LYS  11          3HZ       LYS  11  13.705   9.537   6.309
  102    H    TRP  12           H        TRP  12   8.039   4.829   9.710
  103    HA   TRP  12           HA       TRP  12   9.534   2.606  10.510
  104   1HB   TRP  12          2HB       TRP  12   6.903   3.731  11.406
  105   2HB   TRP  12          1HB       TRP  12   7.495   2.220  12.081
  106    HD1  TRP  12           HD       TRP  12   9.066   5.748  11.522
  107    HE1  TRP  12           1HE      TRP  12  10.372   6.368  13.654
  108    HE3  TRP  12           3HE      TRP  12   8.170   1.531  14.241
  109    HZ2  TRP  12           2HZ      TRP  12  10.940   5.203  16.172
  110    HZ3  TRP  12           3HZ      TRP  12   9.127   1.352  16.504
  111    HH2  TRP  12           HH       TRP  12  10.483   3.153  17.448
  112    H    ALA  13           H        ALA  13   6.447   2.780   8.806
  113    HA   ALA  13           HA       ALA  13   5.901  -0.014   8.954
  114   1HB   ALA  13          1HB       ALA  13   4.123   0.441   7.364
  115   2HB   ALA  13          2HB       ALA  13   4.804   2.034   7.031
  116   3HB   ALA  13          3HB       ALA  13   4.145   1.672   8.627
  117    H    CYS  14           H        CYS  14   7.856   1.941   6.940
  118    HA   CYS  14           HA       CYS  14   7.982   0.212   4.675
  119   1HB   CYS  14          2HB       CYS  14   9.979   2.307   5.552
  120   2HB   CYS  14          1HB       CYS  14   9.815   1.623   3.939
  121    HG   CYS  14           HG       CYS  14   7.153   3.243   5.286
  122    H    ARG  15           H        ARG  15   9.393   0.213   7.770
  123    HA   ARG  15           HA       ARG  15  11.950  -0.760   7.385
  124   1HB   ARG  15          2HB       ARG  15  10.105  -0.494   9.590
  125   2HB   ARG  15          1HB       ARG  15  11.074  -1.954   9.743
  126   1HG   ARG  15          2HG       ARG  15  12.119  -0.073  10.871
  127   2HG   ARG  15          1HG       ARG  15  13.111  -0.652   9.533
  128   1HD   ARG  15          2HD       ARG  15  12.112   1.170   8.128
  129   2HD   ARG  15          1HD       ARG  15  11.363   1.801   9.595
  130    HE   ARG  15           HE       ARG  15  14.269   1.417   9.560
  131   1HH1  ARG  15          1HH1      ARG  15  11.534   3.606   9.482
  132   2HH1  ARG  15          2HH1      ARG  15  12.470   4.994   9.950
  133   1HH2  ARG  15          1HH2      ARG  15  15.500   3.230  10.124
  134   2HH2  ARG  15          2HH2      ARG  15  14.742   4.781  10.295
  135    H    ARG  16           H        ARG  16  12.639  -2.941   8.392
  136    HA   ARG  16           HA       ARG  16  12.108  -4.788   6.333
  137   1HB   ARG  16          2HB       ARG  16  13.519  -5.323   8.945
  138   2HB   ARG  16          1HB       ARG  16  13.706  -6.211   7.439
  139   1HG   ARG  16          2HG       ARG  16  14.711  -4.279   6.384
  140   2HG   ARG  16          1HG       ARG  16  14.454  -3.323   7.844
  141   1HD   ARG  16          2HD       ARG  16  15.903  -4.936   9.068
  142   2HD   ARG  16          1HD       ARG  16  16.250  -5.720   7.527
  143    HE   ARG  16           HE       ARG  16  16.965  -3.239   6.944
  144   1HH1  ARG  16          1HH1      ARG  16  17.585  -5.111   9.840
  145   2HH1  ARG  16          2HH1      ARG  16  19.095  -4.315  10.186
  146   1HH2  ARG  16          1HH2      ARG  16  18.934  -2.167   7.413
  147   2HH2  ARG  16          2HH2      ARG  16  19.828  -2.607   8.835
  148    H    GLY  17           H        GLY  17  10.464  -6.084   6.135
  149   1HA   GLY  17          2HA       GLY  17   9.627  -7.807   8.274
  150   2HA   GLY  17          1HA       GLY  17   8.421  -6.589   7.869
  151    H    MET  18           H        MET  18   8.633  -6.379   5.182
  152    HA   MET  18           HA       MET  18   8.399  -9.064   4.061
  153   1HB   MET  18          2HB       MET  18   6.124  -8.376   4.916
  154   2HB   MET  18          1HB       MET  18   6.164  -7.041   3.773
  155   1HG   MET  18          2HG       MET  18   5.004  -8.547   2.541
  156   2HG   MET  18          1HG       MET  18   6.640  -8.992   2.059
  157   1HE   MET  18          1HE       MET  18   4.014 -11.293   5.079
  158   2HE   MET  18          2HE       MET  18   3.485  -9.906   4.125
  159   3HE   MET  18          3HE       MET  18   4.658  -9.687   5.426
  160    H    LEU  19           H        LEU  19  10.102  -8.694   2.675
  161    HA   LEU  19           HA       LEU  19  10.524  -6.257   1.288
  162   1HB   LEU  19          2HB       LEU  19  11.562  -9.043   0.771
  163   2HB   LEU  19          1HB       LEU  19  12.139  -7.607  -0.044
  164    HG   LEU  19           HG       LEU  19  12.355  -8.144   2.919
  165   1HD1  LEU  19          1HD1      LEU  19  13.818  -9.568   1.574
  166   2HD1  LEU  19          2HD1      LEU  19  14.740  -8.375   2.487
  167   3HD1  LEU  19          3HD1      LEU  19  14.462  -8.142   0.761
  168   1HD2  LEU  19          1HD2      LEU  19  12.128  -5.770   2.461
  169   2HD2  LEU  19          2HD2      LEU  19  13.395  -5.863   1.238
  170   3HD2  LEU  19          3HD2      LEU  19  13.785  -6.142   2.936
  171    H    GLU  20           H        GLU  20   8.664  -9.086   0.630
  172    HA   GLU  20           HA       GLU  20   8.323  -8.823  -2.141
  173   1HB   GLU  20          2HB       GLU  20   6.401  -9.946  -0.094
  174   2HB   GLU  20          1HB       GLU  20   6.315 -10.209  -1.832
  175   1HG   GLU  20          2HG       GLU  20   8.508 -11.309  -1.749
  176   2HG   GLU  20          1HG       GLU  20   8.524 -11.099   0.002
  177    H    LEU  21           H        LEU  21   6.833  -7.176   0.559
  178    HA   LEU  21           HA       LEU  21   4.823  -5.958  -1.173
  179   1HB   LEU  21          2HB       LEU  21   5.299  -5.729   1.802
  180   2HB   LEU  21          1HB       LEU  21   4.033  -4.875   0.940
  181    HG   LEU  21           HG       LEU  21   4.280  -7.873   1.197
  182   1HD1  LEU  21          1HD1      LEU  21   2.312  -5.945   2.419
  183   2HD1  LEU  21          2HD1      LEU  21   3.618  -6.768   3.274
  184   3HD1  LEU  21          3HD1      LEU  21   2.288  -7.701   2.584
  185   1HD2  LEU  21          1HD2      LEU  21   2.139  -6.194  -0.110
  186   2HD2  LEU  21          2HD2      LEU  21   2.079  -7.940   0.130
  187   3HD2  LEU  21          3HD2      LEU  21   3.291  -7.238  -0.941
  188    H    ASP  22           H        ASP  22   7.924  -5.311   0.093
  189    HA   ASP  22           HA       ASP  22   7.945  -2.552   0.425
  190   1HB   ASP  22          2HB       ASP  22   9.828  -3.932   1.087
  191   2HB   ASP  22          1HB       ASP  22  10.128  -4.391  -0.584
  192    H    VAL  23           H        VAL  23   8.476  -4.451  -2.518
  193    HA   VAL  23           HA       VAL  23   8.980  -2.103  -4.103
  194    HB   VAL  23           HB       VAL  23   9.086  -3.668  -6.020
  195   1HG1  VAL  23          1HG1      VAL  23  11.106  -4.819  -5.307
  196   2HG1  VAL  23          2HG1      VAL  23  10.686  -4.539  -3.617
  197   3HG1  VAL  23          3HG1      VAL  23  11.069  -3.175  -4.666
  198   1HG2  VAL  23          1HG2      VAL  23   7.451  -5.315  -5.319
  199   2HG2  VAL  23          2HG2      VAL  23   8.447  -5.754  -3.931
  200   3HG2  VAL  23          3HG2      VAL  23   9.012  -6.099  -5.565
  201    H    VAL  24           H        VAL  24   6.185  -3.616  -3.038
  202    HA   VAL  24           HA       VAL  24   4.633  -2.858  -5.407
  203    HB   VAL  24           HB       VAL  24   3.741  -4.389  -2.958
  204   1HG1  VAL  24          1HG1      VAL  24   1.775  -4.959  -4.267
  205   2HG1  VAL  24          2HG1      VAL  24   2.374  -3.989  -5.614
  206   3HG1  VAL  24          3HG1      VAL  24   1.923  -3.210  -4.097
  207   1HG2  VAL  24          1HG2      VAL  24   5.424  -5.618  -4.234
  208   2HG2  VAL  24          2HG2      VAL  24   4.476  -5.401  -5.704
  209   3HG2  VAL  24          3HG2      VAL  24   3.838  -6.373  -4.379
  210    H    ILE  25           H        ILE  25   4.771  -2.328  -1.914
  211    HA   ILE  25           HA       ILE  25   2.563  -0.462  -1.980
  212    HB   ILE  25           HB       ILE  25   4.343  -1.342   0.298
  213   1HG1  ILE  25          2HG1      ILE  25   1.484  -2.053  -0.398
  214   2HG1  ILE  25          1HG1      ILE  25   2.877  -3.103  -0.622
  215   1HG2  ILE  25          1HG2      ILE  25   1.853   0.358   0.355
  216   2HG2  ILE  25          2HG2      ILE  25   3.493   0.891   0.725
  217   3HG2  ILE  25          3HG2      ILE  25   2.690  -0.280   1.771
  218   1HD1  ILE  25          1HD1      ILE  25   1.632  -3.716   1.362
  219   2HD1  ILE  25          2HD1      ILE  25   1.834  -2.088   2.007
  220   3HD1  ILE  25          3HD1      ILE  25   3.239  -3.131   1.794
  221    H    MET  26           H        MET  26   6.054  -0.278  -1.175
  222    HA   MET  26           HA       MET  26   5.998   2.390  -0.370
  223   1HB   MET  26          2HB       MET  26   7.870   0.920   0.139
  224   2HB   MET  26          1HB       MET  26   8.320   0.865  -1.559
  225   1HG   MET  26          2HG       MET  26   8.730   3.309  -1.480
  226   2HG   MET  26          1HG       MET  26   8.398   3.278   0.251
  227   1HE   MET  26          1HE       MET  26  10.795   2.086  -2.623
  228   2HE   MET  26          2HE       MET  26  10.225   0.577  -1.907
  229   3HE   MET  26          3HE       MET  26  11.912   1.051  -1.731
  230    HA   PRO  27           HA       PRO  27   7.441   3.724  -4.836
  231   1HB   PRO  27          2HB       PRO  27   6.283   1.520  -6.449
  232   2HB   PRO  27          1HB       PRO  27   7.808   2.390  -6.655
  233   1HG   PRO  27          2HG       PRO  27   7.797  -0.104  -5.722
  234   2HG   PRO  27          1HG       PRO  27   8.912   1.108  -5.064
  235   1HD   PRO  27          2HD       PRO  27   6.346   0.076  -3.917
  236   2HD   PRO  27          1HD       PRO  27   7.885   0.428  -3.102
  237    H    PHE  28           H        PHE  28   4.487   1.795  -4.481
  238    HA   PHE  28           HA       PHE  28   2.849   3.444  -6.094
  239   1HB   PHE  28          2HB       PHE  28   2.069   1.230  -5.591
  240   2HB   PHE  28          1HB       PHE  28   2.166   1.528  -3.856
  241    HD1  PHE  28           1HD      PHE  28   0.411   2.633  -6.936
  242    HD2  PHE  28           2HD      PHE  28   0.328   2.350  -2.694
  243    HE1  PHE  28           1HE      PHE  28  -1.916   3.429  -6.933
  244    HE2  PHE  28           2HE      PHE  28  -2.002   3.139  -2.684
  245    HZ   PHE  28           HZ       PHE  28  -3.126   3.678  -4.804
  246    H    PHE  29           H        PHE  29   3.538   3.356  -2.633
  247    HA   PHE  29           HA       PHE  29   1.808   5.376  -1.800
  248   1HB   PHE  29          2HB       PHE  29   3.029   3.932  -0.236
  249   2HB   PHE  29          1HB       PHE  29   4.547   4.679  -0.719
  250    HD1  PHE  29           2HD      PHE  29   1.307   5.317   0.932
  251    HD2  PHE  29           1HD      PHE  29   5.282   6.680   0.266
  252    HE1  PHE  29           2HE      PHE  29   1.009   7.025   2.674
  253    HE2  PHE  29           1HE      PHE  29   4.992   8.391   2.009
  254    HZ   PHE  29           HZ       PHE  29   2.851   8.565   3.212
  255    H    GLU  30           H        GLU  30   5.177   5.607  -2.898
  256    HA   GLU  30           HA       GLU  30   5.400   8.390  -2.605
  257   1HB   GLU  30          2HB       GLU  30   6.825   6.664  -4.629
  258   2HB   GLU  30          1HB       GLU  30   7.362   8.213  -3.995
  259   1HG   GLU  30          2HG       GLU  30   7.148   6.923  -1.698
  260   2HG   GLU  30          1HG       GLU  30   7.393   5.529  -2.742
  261    H    GLU  31           H        GLU  31   4.232   6.418  -5.241
  262    HA   GLU  31           HA       GLU  31   3.883   8.478  -7.156
  263   1HB   GLU  31          2HB       GLU  31   2.565   5.791  -6.782
  264   2HB   GLU  31          1HB       GLU  31   2.194   6.844  -8.137
  265   1HG   GLU  31          2HG       GLU  31   4.967   5.869  -7.523
  266   2HG   GLU  31          1HG       GLU  31   3.846   5.012  -8.581
  267    H    CYS  32           H        CYS  32   1.620   6.976  -4.861
  268    HA   CYS  32           HA       CYS  32  -0.570   8.556  -5.864
  269   1HB   CYS  32          2HB       CYS  32  -0.702   6.130  -5.155
  270   2HB   CYS  32          1HB       CYS  32  -0.582   6.693  -3.493
  271    HG   CYS  32           HG       CYS  32  -3.042   7.926  -5.494
  272    H    PHE  33           H        PHE  33   1.588   8.669  -3.142
  273    HA   PHE  33           HA       PHE  33   0.162  10.131  -1.276
  274   1HB   PHE  33          2HB       PHE  33   2.379   9.163  -0.881
  275   2HB   PHE  33          1HB       PHE  33   3.102  10.341  -1.962
  276    HD1  PHE  33           2HD      PHE  33   1.501   9.833   1.299
  277    HD2  PHE  33           1HD      PHE  33   3.573  12.569  -1.217
  278    HE1  PHE  33           2HE      PHE  33   1.846  11.330   3.220
  279    HE2  PHE  33           1HE      PHE  33   3.927  14.067   0.702
  280    HZ   PHE  33           HZ       PHE  33   3.060  13.451   2.921
  281    H    ASP  34           H        ASP  34   1.776  11.227  -4.183
  282    HA   ASP  34           HA       ASP  34   1.691  13.996  -3.744
  283   1HB   ASP  34          2HB       ASP  34   3.054  13.118  -5.506
  284   2HB   ASP  34          1HB       ASP  34   1.667  12.365  -6.283
  285    H    SER  35           H        SER  35  -0.741  11.765  -4.924
  286    HA   SER  35           HA       SER  35  -2.516  13.916  -5.735
  287   1HB   SER  35          2HB       SER  35  -2.426  11.939  -7.150
  288   2HB   SER  35          1HB       SER  35  -2.842  10.905  -5.784
  289    HG   SER  35           HG       SER  35  -4.885  11.731  -5.767
  290    H    LEU  36           H        LEU  36  -2.274  11.454  -3.227
  291    HA   LEU  36           HA       LEU  36  -4.865  11.770  -2.150
  292   1HB   LEU  36          2HB       LEU  36  -2.347  10.850  -0.760
  293   2HB   LEU  36          1HB       LEU  36  -3.985  10.585  -0.198
  294    HG   LEU  36           HG       LEU  36  -2.844   9.445  -2.748
  295   1HD1  LEU  36          1HD1      LEU  36  -2.817   7.318  -1.537
  296   2HD1  LEU  36          2HD1      LEU  36  -3.298   8.157  -0.061
  297   3HD1  LEU  36          3HD1      LEU  36  -1.737   8.504  -0.803
  298   1HD2  LEU  36          1HD2      LEU  36  -4.846   8.027  -2.712
  299   2HD2  LEU  36          2HD2      LEU  36  -5.258   9.739  -2.836
  300   3HD2  LEU  36          3HD2      LEU  36  -5.432   8.900  -1.294
  301    H    THR  37           H        THR  37  -5.709  13.198  -0.738
  302    HA   THR  37           HA       THR  37  -4.080  15.325   0.354
  303    HB   THR  37           HB       THR  37  -6.207  15.998   1.509
  304    HG1  THR  37           1HG      THR  37  -7.301  13.833  -0.013
  305   1HG2  THR  37          1HG2      THR  37  -7.356  16.732  -0.514
  306   2HG2  THR  37          2HG2      THR  37  -6.460  15.553  -1.470
  307   3HG2  THR  37          3HG2      THR  37  -5.610  16.897  -0.707
  308    H    GLU  38           H        GLU  38  -4.227  15.768   2.763
  309    HA   GLU  38           HA       GLU  38  -2.870  13.801   4.135
  310   1HB   GLU  38          2HB       GLU  38  -4.642  15.884   5.409
  311   2HB   GLU  38          1HB       GLU  38  -3.291  15.061   6.161
  312   1HG   GLU  38          2HG       GLU  38  -2.334  17.044   5.626
  313   2HG   GLU  38          1HG       GLU  38  -1.953  16.115   4.181
  314    H    SER  39           H        SER  39  -6.366  14.419   4.245
  315    HA   SER  39           HA       SER  39  -7.007  12.528   6.185
  316   1HB   SER  39          2HB       SER  39  -8.657  13.443   3.821
  317   2HB   SER  39          1HB       SER  39  -9.275  12.632   5.255
  318    HG   SER  39           HG       SER  39  -8.266  14.441   6.450
  319    H    GLU  40           H        GLU  40  -6.805  12.152   2.649
  320    HA   GLU  40           HA       GLU  40  -7.498   9.403   2.593
  321   1HB   GLU  40          2HB       GLU  40  -5.821  11.021   0.659
  322   2HB   GLU  40          1HB       GLU  40  -6.502   9.434   0.330
  323   1HG   GLU  40          2HG       GLU  40  -8.718  10.282   0.371
  324   2HG   GLU  40          1HG       GLU  40  -8.177  11.834   1.010
  325    H    GLN  41           H        GLN  41  -4.487  11.164   2.817
  326    HA   GLN  41           HA       GLN  41  -2.675   9.034   2.686
  327   1HB   GLN  41          2HB       GLN  41  -2.473  11.684   4.137
  328   2HB   GLN  41          1HB       GLN  41  -1.119  10.620   3.819
  329   1HG   GLN  41          2HG       GLN  41  -1.401  10.909   1.436
  330   2HG   GLN  41          1HG       GLN  41  -2.831  11.902   1.707
  331   1HE2  GLN  41          1HE2      GLN  41  -0.490  12.641   0.271
  332   2HE2  GLN  41          2HE2      GLN  41   0.223  13.981   1.097
  333    H    ASP  42           H        ASP  42  -4.360  10.518   5.402
  334    HA   ASP  42           HA       ASP  42  -2.931   9.243   7.461
  335   1HB   ASP  42          2HB       ASP  42  -4.393  11.310   7.631
  336   2HB   ASP  42          1HB       ASP  42  -5.777  10.222   7.655
  337    H    ASP  43           H        ASP  43  -6.044   8.424   5.938
  338    HA   ASP  43           HA       ASP  43  -6.596   6.139   7.475
  339   1HB   ASP  43          2HB       ASP  43  -7.530   7.247   4.923
  340   2HB   ASP  43          1HB       ASP  43  -7.625   5.492   5.020
  341    H    PHE  44           H        PHE  44  -4.677   6.560   4.545
  342    HA   PHE  44           HA       PHE  44  -4.106   3.808   4.157
  343   1HB   PHE  44          2HB       PHE  44  -3.859   5.667   2.453
  344   2HB   PHE  44          1HB       PHE  44  -2.393   6.148   3.300
  345    HD1  PHE  44           1HD      PHE  44  -3.989   3.374   1.464
  346    HD2  PHE  44           2HD      PHE  44  -0.352   5.069   2.880
  347    HE1  PHE  44           1HE      PHE  44  -2.722   1.747   0.133
  348    HE2  PHE  44           2HE      PHE  44   0.925   3.445   1.545
  349    HZ   PHE  44           HZ       PHE  44  -0.259   1.781   0.171
  350    H    VAL  45           H        VAL  45  -2.425   6.424   5.876
  351    HA   VAL  45           HA       VAL  45  -0.143   4.942   6.625
  352    HB   VAL  45           HB       VAL  45  -1.437   7.299   8.013
  353   1HG1  VAL  45          1HG1      VAL  45  -0.031   6.073   9.585
  354   2HG1  VAL  45          2HG1      VAL  45   0.715   7.609   9.148
  355   3HG1  VAL  45          3HG1      VAL  45   1.306   6.108   8.435
  356   1HG2  VAL  45          1HG2      VAL  45  -0.692   7.791   5.754
  357   2HG2  VAL  45          2HG2      VAL  45   0.901   7.130   6.118
  358   3HG2  VAL  45          3HG2      VAL  45   0.345   8.593   6.933
  359    H    ALA  46           H        ALA  46  -3.297   5.406   8.169
  360    HA   ALA  46           HA       ALA  46  -2.826   4.057  10.571
  361   1HB   ALA  46          1HB       ALA  46  -4.852   5.364  10.138
  362   2HB   ALA  46          2HB       ALA  46  -5.246   3.729  10.671
  363   3HB   ALA  46          3HB       ALA  46  -5.381   4.157   8.967
  364    H    LEU  47           H        LEU  47  -3.655   2.846   7.374
  365    HA   LEU  47           HA       LEU  47  -3.918   0.115   8.077
  366   1HB   LEU  47          2HB       LEU  47  -3.197   1.486   5.490
  367   2HB   LEU  47          1HB       LEU  47  -3.390  -0.249   5.621
  368    HG   LEU  47           HG       LEU  47  -5.546   1.785   6.191
  369   1HD1  LEU  47          1HD1      LEU  47  -5.011   1.697   3.828
  370   2HD1  LEU  47          2HD1      LEU  47  -6.570   0.929   4.130
  371   3HD1  LEU  47          3HD1      LEU  47  -5.138  -0.061   3.843
  372   1HD2  LEU  47          1HD2      LEU  47  -5.633  -1.230   6.090
  373   2HD2  LEU  47          2HD2      LEU  47  -7.030  -0.164   6.262
  374   3HD2  LEU  47          3HD2      LEU  47  -5.807  -0.227   7.531
  375    H    LEU  48           H        LEU  48  -1.175   2.120   7.180
  376    HA   LEU  48           HA       LEU  48   0.644  -0.024   6.754
  377   1HB   LEU  48          2HB       LEU  48   1.115   2.915   7.254
  378   2HB   LEU  48          1HB       LEU  48   2.373   1.779   6.810
  379    HG   LEU  48           HG       LEU  48  -0.020   2.465   5.098
  380   1HD1  LEU  48          1HD1      LEU  48   1.538   4.337   5.311
  381   2HD1  LEU  48          2HD1      LEU  48   1.591   3.642   3.690
  382   3HD1  LEU  48          3HD1      LEU  48   2.874   3.283   4.846
  383   1HD2  LEU  48          1HD2      LEU  48   2.433   0.813   4.503
  384   2HD2  LEU  48          2HD2      LEU  48   1.147   1.212   3.364
  385   3HD2  LEU  48          3HD2      LEU  48   0.805   0.186   4.757
  386    H    GLU  49           H        GLU  49  -0.073   2.023   9.556
  387    HA   GLU  49           HA       GLU  49   2.125   0.882  11.042
  388   1HB   GLU  49          2HB       GLU  49  -0.060   2.793  11.865
  389   2HB   GLU  49          1HB       GLU  49   1.214   2.237  12.945
  390   1HG   GLU  49          2HG       GLU  49   2.823   3.118  11.132
  391   2HG   GLU  49          1HG       GLU  49   1.419   4.006  10.544
  392    H    SER  50           H        SER  50  -1.071   0.021  10.404
  393    HA   SER  50           HA       SER  50  -1.435  -1.535  12.821
  394   1HB   SER  50          2HB       SER  50  -3.343  -0.451  11.545
  395   2HB   SER  50          1HB       SER  50  -3.072  -1.638  10.270
  396    HG   SER  50           HG       SER  50  -3.845  -2.121  12.969
  397    H    ASP  51           H        ASP  51  -2.417  -3.924  11.941
  398    HA   ASP  51           HA       ASP  51  -0.061  -5.256  10.911
  399   1HB   ASP  51          2HB       ASP  51  -1.600  -6.112  12.820
  400   2HB   ASP  51          1HB       ASP  51  -2.692  -6.595  11.527
  401    H    ASP  52           H        ASP  52  -0.507  -6.998   9.148
  402    HA   ASP  52           HA       ASP  52  -2.158  -5.684   7.090
  403   1HB   ASP  52          2HB       ASP  52  -0.477  -6.323   5.431
  404   2HB   ASP  52          1HB       ASP  52   0.242  -5.342   6.702
  405    HA   PRO  53           HA       PRO  53  -3.251 -10.222   7.023
  406   1HB   PRO  53          2HB       PRO  53  -5.640 -10.047   8.530
  407   2HB   PRO  53          1HB       PRO  53  -4.116 -10.766   9.052
  408   1HG   PRO  53          2HG       PRO  53  -5.313  -8.450  10.100
  409   2HG   PRO  53          1HG       PRO  53  -3.662  -9.011  10.404
  410   1HD   PRO  53          2HD       PRO  53  -4.642  -6.915   8.531
  411   2HD   PRO  53          1HD       PRO  53  -3.102  -7.017   9.413
  412    H    ASP  54           H        ASP  54  -5.832  -7.807   7.443
  413    HA   ASP  54           HA       ASP  54  -7.384  -8.745   5.254
  414   1HB   ASP  54          2HB       ASP  54  -8.686  -6.659   5.607
  415   2HB   ASP  54          1HB       ASP  54  -8.440  -7.566   7.095
  416    H    LEU  55           H        LEU  55  -4.900  -6.325   5.663
  417    HA   LEU  55           HA       LEU  55  -5.193  -5.028   3.170
  418   1HB   LEU  55          2HB       LEU  55  -3.840  -4.333   5.264
  419   2HB   LEU  55          1HB       LEU  55  -2.575  -5.356   4.621
  420    HG   LEU  55           HG       LEU  55  -3.748  -3.066   3.047
  421   1HD1  LEU  55          1HD1      LEU  55  -2.836  -2.215   5.157
  422   2HD1  LEU  55          2HD1      LEU  55  -1.850  -1.730   3.778
  423   3HD1  LEU  55          3HD1      LEU  55  -1.313  -3.041   4.829
  424   1HD2  LEU  55          1HD2      LEU  55  -1.644  -3.211   1.813
  425   2HD2  LEU  55          2HD2      LEU  55  -2.519  -4.741   1.754
  426   3HD2  LEU  55          3HD2      LEU  55  -1.133  -4.560   2.829
  427    H    PHE  56           H        PHE  56  -3.022  -7.656   4.243
  428    HA   PHE  56           HA       PHE  56  -1.799  -8.144   1.766
  429   1HB   PHE  56          2HB       PHE  56  -1.131  -9.038   4.063
  430   2HB   PHE  56          1HB       PHE  56  -2.397 -10.239   3.854
  431    HD1  PHE  56           1HD      PHE  56   0.707  -8.947   2.280
  432    HD2  PHE  56           2HD      PHE  56  -1.979 -12.218   2.728
  433    HE1  PHE  56           1HE      PHE  56   2.280 -10.400   1.066
  434    HE2  PHE  56           2HE      PHE  56  -0.415 -13.675   1.513
  435    HZ   PHE  56           HZ       PHE  56   1.718 -12.768   0.682
  436    H    ALA  57           H        ALA  57  -4.836  -9.162   3.119
  437    HA   ALA  57           HA       ALA  57  -5.399 -11.326   1.432
  438   1HB   ALA  57          1HB       ALA  57  -7.343  -9.473   2.801
  439   2HB   ALA  57          2HB       ALA  57  -6.590 -10.894   3.527
  440   3HB   ALA  57          3HB       ALA  57  -7.700 -11.081   2.168
  441    H    TRP  58           H        TRP  58  -6.007  -7.851   1.037
  442    HA   TRP  58           HA       TRP  58  -7.497  -8.282  -1.376
  443   1HB   TRP  58          2HB       TRP  58  -6.494  -5.823   0.003
  444   2HB   TRP  58          1HB       TRP  58  -7.150  -5.736  -1.631
  445    HD1  TRP  58           HD       TRP  58  -8.239  -7.057   1.824
  446    HE1  TRP  58           1HE      TRP  58 -10.775  -6.702   2.061
  447    HE3  TRP  58           3HE      TRP  58  -9.223  -5.184  -2.821
  448    HZ2  TRP  58           2HZ      TRP  58 -12.922  -5.779   0.467
  449    HZ3  TRP  58           3HZ      TRP  58 -11.546  -4.601  -3.395
  450    HH2  TRP  58           HH       TRP  58 -13.355  -4.895  -1.784
  451    H    VAL  59           H        VAL  59  -4.176  -7.593  -0.541
  452    HA   VAL  59           HA       VAL  59  -3.231  -6.894  -3.099
  453    HB   VAL  59           HB       VAL  59  -1.745  -8.305  -0.876
  454   1HG1  VAL  59          1HG1      VAL  59  -0.681  -6.785  -3.255
  455   2HG1  VAL  59          2HG1      VAL  59  -0.591  -8.530  -3.012
  456   3HG1  VAL  59          3HG1      VAL  59   0.285  -7.443  -1.934
  457   1HG2  VAL  59          1HG2      VAL  59  -0.934  -6.087  -0.271
  458   2HG2  VAL  59          2HG2      VAL  59  -2.694  -6.167  -0.172
  459   3HG2  VAL  59          3HG2      VAL  59  -1.923  -5.370  -1.544
  460    H    MET  60           H        MET  60  -3.636 -10.024  -1.512
  461    HA   MET  60           HA       MET  60  -2.712 -11.420  -3.897
  462   1HB   MET  60          2HB       MET  60  -3.591 -12.372  -1.175
  463   2HB   MET  60          1HB       MET  60  -3.230 -13.476  -2.495
  464   1HG   MET  60          2HG       MET  60  -1.310 -11.484  -1.310
  465   2HG   MET  60          1HG       MET  60  -1.349 -13.210  -0.955
  466   1HE   MET  60          1HE       MET  60   1.918 -12.828  -3.091
  467   2HE   MET  60          2HE       MET  60   1.235 -13.368  -1.557
  468   3HE   MET  60          3HE       MET  60   1.279 -11.649  -1.947
  469    H    GLY  61           H        GLY  61  -5.601 -10.187  -2.708
  470   1HA   GLY  61          2HA       GLY  61  -7.741 -10.287  -3.563
  471   2HA   GLY  61          1HA       GLY  61  -7.108 -11.278  -4.872
  472    H    HIS  62           H        HIS  62  -6.883 -11.969  -1.441
  473    HA   HIS  62           HA       HIS  62  -8.529 -14.372  -1.877
  474   1HB   HIS  62          2HB       HIS  62  -6.003 -14.732  -1.872
  475   2HB   HIS  62          1HB       HIS  62  -6.036 -14.274  -0.174
  476    HD1  HIS  62           1HD      HIS  62  -6.369 -16.134   1.430
  477    HD2  HIS  62           2HD      HIS  62  -7.690 -17.108  -2.390
  478    HE1  HIS  62           1HE      HIS  62  -6.999 -18.564   1.530
  479    HE2  HIS  62           2HE      HIS  62  -7.625 -19.172  -0.835
  480    H    GLY  63           H        GLY  63  -9.055 -11.686  -0.634
  481   1HA   GLY  63          2HA       GLY  63 -10.418 -12.657   1.695
  482   2HA   GLY  63          1HA       GLY  63  -9.056 -11.623   2.102
  483    H    ARG  64           H        ARG  64 -11.209 -10.613   3.024
  484    HA   ARG  64           HA       ARG  64 -11.955  -8.445   1.199
  485   1HB   ARG  64          2HB       ARG  64 -13.950 -10.020   2.842
  486   2HB   ARG  64          1HB       ARG  64 -14.311  -8.601   1.872
  487   1HG   ARG  64          2HG       ARG  64 -13.767  -9.813  -0.151
  488   2HG   ARG  64          1HG       ARG  64 -13.321 -11.232   0.801
  489   1HD   ARG  64          2HD       ARG  64 -16.050  -9.962   0.628
  490   2HD   ARG  64          1HD       ARG  64 -15.562 -11.504  -0.074
  491    HE   ARG  64           HE       ARG  64 -15.132 -12.173   2.347
  492   1HH1  ARG  64          1HH1      ARG  64 -17.619  -9.891   1.395
  493   2HH1  ARG  64          2HH1      ARG  64 -18.605 -10.201   2.792
  494   1HH2  ARG  64          1HH2      ARG  64 -16.433 -12.580   4.161
  495   2HH2  ARG  64          2HH2      ARG  64 -17.944 -11.734   4.348
  496    H    CYS  65           H        CYS  65 -13.173  -6.701   2.462
  497    HA   CYS  65           HA       CYS  65 -12.664  -6.716   5.330
  498   1HB   CYS  65          2HB       CYS  65 -11.817  -4.395   5.242
  499   2HB   CYS  65          1HB       CYS  65 -10.749  -5.523   4.419
  500    HG   CYS  65           HG       CYS  65 -10.756  -3.166   2.965
  501    H    GLU  66           H        GLU  66 -13.783  -4.632   6.280
  502    HA   GLU  66           HA       GLU  66 -16.514  -4.942   5.389
  503   1HB   GLU  66          2HB       GLU  66 -15.391  -3.487   7.778
  504   2HB   GLU  66          1HB       GLU  66 -17.097  -3.776   7.472
  505   1HG   GLU  66          2HG       GLU  66 -14.988  -5.866   7.959
  506   2HG   GLU  66          1HG       GLU  66 -16.251  -5.365   9.081
  507    H    ASN  67           H        ASN  67 -14.085  -2.368   5.454
  508    HA   ASN  67           HA       ASN  67 -16.142  -0.580   4.342
  509   1HB   ASN  67          2HB       ASN  67 -14.684   1.308   5.082
  510   2HB   ASN  67          1HB       ASN  67 -15.346   0.343   6.393
  511   1HD2  ASN  67          1HD2      ASN  67 -13.044   2.106   6.326
  512   2HD2  ASN  67          2HD2      ASN  67 -11.700   1.142   6.823
  513    H    LEU  68           H        LEU  68 -16.026  -0.149   2.293
  514    HA   LEU  68           HA       LEU  68 -13.843  -1.130   0.730
  515   1HB   LEU  68          2HB       LEU  68 -16.343   0.367  -0.020
  516   2HB   LEU  68          1HB       LEU  68 -15.155  -0.167  -1.190
  517    HG   LEU  68           HG       LEU  68 -16.831  -1.922   0.606
  518   1HD1  LEU  68          1HD1      LEU  68 -17.802  -2.710  -1.476
  519   2HD1  LEU  68          2HD1      LEU  68 -16.777  -1.604  -2.389
  520   3HD1  LEU  68          3HD1      LEU  68 -18.014  -0.966  -1.305
  521   1HD2  LEU  68          1HD2      LEU  68 -15.778  -3.816  -0.538
  522   2HD2  LEU  68          2HD2      LEU  68 -14.594  -2.868   0.362
  523   3HD2  LEU  68          3HD2      LEU  68 -14.704  -2.706  -1.391
  524    H    GLY  69           H        GLY  69 -14.491   1.873   2.186
  525   1HA   GLY  69          2HA       GLY  69 -13.164   3.615   0.414
  526   2HA   GLY  69          1HA       GLY  69 -13.330   3.861   2.149
  527    H    LEU  70           H        LEU  70 -11.949   1.805   3.223
  528    HA   LEU  70           HA       LEU  70  -9.220   2.447   2.716
  529   1HB   LEU  70          2HB       LEU  70 -10.613   0.419   4.446
  530   2HB   LEU  70          1HB       LEU  70  -8.872   0.347   4.218
  531    HG   LEU  70           HG       LEU  70 -10.443   2.603   5.477
  532   1HD1  LEU  70          1HD1      LEU  70  -8.257   0.866   6.612
  533   2HD1  LEU  70          2HD1      LEU  70  -9.977   0.583   6.864
  534   3HD1  LEU  70          3HD1      LEU  70  -9.230   2.061   7.472
  535   1HD2  LEU  70          1HD2      LEU  70  -8.280   3.705   5.797
  536   2HD2  LEU  70          2HD2      LEU  70  -8.692   3.539   4.091
  537   3HD2  LEU  70          3HD2      LEU  70  -7.508   2.455   4.821
  538    H    ALA  71           H        ALA  71 -11.359  -0.172   1.785
  539    HA   ALA  71           HA       ALA  71  -9.469  -1.936   0.708
  540   1HB   ALA  71          1HB       ALA  71 -12.295  -1.474  -0.230
  541   2HB   ALA  71          2HB       ALA  71 -11.817  -2.527   1.103
  542   3HB   ALA  71          3HB       ALA  71 -11.307  -2.900  -0.546
  543    H    ALA  72           H        ALA  72 -11.110   0.843  -0.717
  544    HA   ALA  72           HA       ALA  72 -10.341   0.501  -3.375
  545   1HB   ALA  72          1HB       ALA  72 -10.775   2.892  -3.646
  546   2HB   ALA  72          2HB       ALA  72 -10.776   3.094  -1.893
  547   3HB   ALA  72          3HB       ALA  72 -12.026   2.124  -2.670
  548    H    MET  73           H        MET  73  -8.631   1.951  -0.659
  549    HA   MET  73           HA       MET  73  -6.475   3.025  -2.127
  550   1HB   MET  73          2HB       MET  73  -6.602   2.083   0.741
  551   2HB   MET  73          1HB       MET  73  -5.255   2.974   0.050
  552   1HG   MET  73          2HG       MET  73  -8.076   3.951   0.398
  553   2HG   MET  73          1HG       MET  73  -6.653   4.462   1.300
  554   1HE   MET  73          1HE       MET  73  -4.493   4.542  -1.054
  555   2HE   MET  73          2HE       MET  73  -4.604   5.797   0.180
  556   3HE   MET  73          3HE       MET  73  -4.558   6.240  -1.526
  557    H    VAL  74           H        VAL  74  -6.960  -0.098  -0.536
  558    HA   VAL  74           HA       VAL  74  -4.375  -1.114  -1.140
  559    HB   VAL  74           HB       VAL  74  -6.864  -2.743  -0.603
  560   1HG1  VAL  74          1HG1      VAL  74  -5.002  -4.056  -1.431
  561   2HG1  VAL  74          2HG1      VAL  74  -5.245  -4.383   0.287
  562   3HG1  VAL  74          3HG1      VAL  74  -3.929  -3.331  -0.234
  563   1HG2  VAL  74          1HG2      VAL  74  -6.197  -2.693   1.763
  564   2HG2  VAL  74          2HG2      VAL  74  -6.597  -1.083   1.162
  565   3HG2  VAL  74          3HG2      VAL  74  -4.910  -1.553   1.366
  566    H    ASP  75           H        ASP  75  -7.508  -1.268  -2.754
  567    HA   ASP  75           HA       ASP  75  -6.880  -3.086  -4.787
  568   1HB   ASP  75          2HB       ASP  75  -9.161  -2.381  -4.459
  569   2HB   ASP  75          1HB       ASP  75  -8.744  -0.705  -4.799
  570    H    LYS  76           H        LYS  76  -6.367   0.403  -4.583
  571    HA   LYS  76           HA       LYS  76  -5.326   0.712  -7.189
  572   1HB   LYS  76          2HB       LYS  76  -4.852   2.386  -4.708
  573   2HB   LYS  76          1HB       LYS  76  -4.355   2.842  -6.334
  574   1HG   LYS  76          2HG       LYS  76  -6.752   2.692  -7.023
  575   2HG   LYS  76          1HG       LYS  76  -7.158   2.461  -5.326
  576   1HD   LYS  76          2HD       LYS  76  -7.440   4.791  -6.024
  577   2HD   LYS  76          1HD       LYS  76  -6.201   4.625  -4.776
  578   1HE   LYS  76          2HE       LYS  76  -4.459   4.931  -6.322
  579   2HE   LYS  76          1HE       LYS  76  -5.522   4.657  -7.700
  580   1HZ   LYS  76          1HZ       LYS  76  -4.891   7.020  -7.299
  581   2HZ   LYS  76          2HZ       LYS  76  -5.815   6.982  -5.875
  582   3HZ   LYS  76          3HZ       LYS  76  -6.555   6.737  -7.377
  583    H    ILE  77           H        ILE  77  -3.834  -0.177  -4.123
  584    HA   ILE  77           HA       ILE  77  -1.142  -0.204  -4.958
  585    HB   ILE  77           HB       ILE  77  -2.458  -2.133  -3.029
  586   1HG1  ILE  77          2HG1      ILE  77  -1.113   0.515  -2.464
  587   2HG1  ILE  77          1HG1      ILE  77  -2.846   0.223  -2.389
  588   1HG2  ILE  77          1HG2      ILE  77  -0.264  -2.865  -3.757
  589   2HG2  ILE  77          2HG2      ILE  77  -0.208  -2.340  -2.074
  590   3HG2  ILE  77          3HG2      ILE  77   0.420  -1.291  -3.347
  591   1HD1  ILE  77          1HD1      ILE  77  -0.781  -1.113  -0.661
  592   2HD1  ILE  77          2HD1      ILE  77  -2.526  -1.343  -0.566
  593   3HD1  ILE  77          3HD1      ILE  77  -1.819   0.226  -0.179
  594    H    VAL  78           H        VAL  78  -3.681  -2.667  -5.058
  595    HA   VAL  78           HA       VAL  78  -2.191  -4.745  -6.198
  596    HB   VAL  78           HB       VAL  78  -5.146  -4.219  -6.572
  597   1HG1  VAL  78          1HG1      VAL  78  -4.302  -5.902  -8.111
  598   2HG1  VAL  78          2HG1      VAL  78  -5.284  -6.665  -6.859
  599   3HG1  VAL  78          3HG1      VAL  78  -3.526  -6.758  -6.778
  600   1HG2  VAL  78          1HG2      VAL  78  -4.546  -4.222  -4.216
  601   2HG2  VAL  78          2HG2      VAL  78  -3.698  -5.753  -4.421
  602   3HG2  VAL  78          3HG2      VAL  78  -5.448  -5.681  -4.625
  603    H    ALA  79           H        ALA  79  -4.061  -2.135  -7.699
  604    HA   ALA  79           HA       ALA  79  -3.804  -2.954 -10.372
  605   1HB   ALA  79          1HB       ALA  79  -5.362  -1.212  -9.629
  606   2HB   ALA  79          2HB       ALA  79  -4.346  -0.656 -10.959
  607   3HB   ALA  79          3HB       ALA  79  -4.001  -0.136  -9.308
  608    H    HIS  80           H        HIS  80  -1.688  -1.076  -8.285
  609    HA   HIS  80           HA       HIS  80   0.227  -0.333 -10.220
  610   1HB   HIS  80          2HB       HIS  80   0.113   0.695  -7.990
  611   2HB   HIS  80          1HB       HIS  80   0.564  -0.836  -7.251
  612    HD1  HIS  80           1HD      HIS  80   2.926  -0.887  -6.579
  613    HD2  HIS  80           2HD      HIS  80   2.342   1.518  -9.921
  614    HE1  HIS  80           1HE      HIS  80   5.184   0.064  -7.130
  615    HE2  HIS  80           2HE      HIS  80   4.768   1.679  -9.020
  616    H    ASN  81           H        ASN  81  -0.078  -3.168  -8.126
  617    HA   ASN  81           HA       ASN  81   2.334  -4.413  -8.990
  618   1HB   ASN  81          2HB       ASN  81   1.220  -4.985  -6.859
  619   2HB   ASN  81          1HB       ASN  81  -0.130  -5.667  -7.759
  620   1HD2  ASN  81          1HD2      ASN  81   0.132  -7.718  -6.915
  621   2HD2  ASN  81          2HD2      ASN  81   1.458  -8.739  -7.338
  622    H    LEU  82           H        LEU  82  -1.077  -4.828  -9.903
  623    HA   LEU  82           HA       LEU  82  -0.771  -6.948 -11.659
  624   1HB   LEU  82          2HB       LEU  82  -2.729  -4.667 -11.612
  625   2HB   LEU  82          1HB       LEU  82  -2.860  -6.013 -12.713
  626    HG   LEU  82           HG       LEU  82  -2.970  -6.193  -9.706
  627   1HD1  LEU  82          1HD1      LEU  82  -5.319  -6.768 -10.049
  628   2HD1  LEU  82          2HD1      LEU  82  -5.132  -6.518 -11.785
  629   3HD1  LEU  82          3HD1      LEU  82  -4.958  -5.159 -10.674
  630   1HD2  LEU  82          1HD2      LEU  82  -3.594  -8.536 -10.087
  631   2HD2  LEU  82          2HD2      LEU  82  -1.969  -8.183 -10.676
  632   3HD2  LEU  82          3HD2      LEU  82  -3.309  -8.325 -11.815
  633    H    SER  83           H        SER  83  -0.172  -3.533 -12.115
  634    HA   SER  83           HA       SER  83  -0.028  -3.600 -14.932
  635   1HB   SER  83          2HB       SER  83   1.201  -1.677 -12.940
  636   2HB   SER  83          1HB       SER  83   1.186  -1.424 -14.686
  637    HG   SER  83           HG       SER  83  -1.045  -1.594 -12.926
  638    H    LYS  84           H        LYS  84   2.499  -3.972 -12.431
  639    HA   LYS  84           HA       LYS  84   4.565  -4.294 -14.379
  640   1HB   LYS  84          2HB       LYS  84   6.017  -4.885 -12.579
  641   2HB   LYS  84          1HB       LYS  84   4.967  -3.604 -11.997
  642   1HG   LYS  84          2HG       LYS  84   3.538  -5.514 -11.026
  643   2HG   LYS  84          1HG       LYS  84   4.975  -6.506 -11.279
  644   1HD   LYS  84          2HD       LYS  84   4.821  -3.977  -9.640
  645   2HD   LYS  84          1HD       LYS  84   4.903  -5.620  -9.005
  646   1HE   LYS  84          2HE       LYS  84   7.029  -4.336 -10.719
  647   2HE   LYS  84          1HE       LYS  84   7.074  -4.415  -8.960
  648   1HZ   LYS  84          1HZ       LYS  84   6.951  -6.880  -9.193
  649   2HZ   LYS  84          2HZ       LYS  84   8.377  -6.186  -9.791
  650   3HZ   LYS  84          3HZ       LYS  84   7.167  -6.685 -10.866
  651    H    VAL  85           H        VAL  85   2.226  -6.371 -12.902
  652    HA   VAL  85           HA       VAL  85   3.390  -8.864 -13.659
  653    HB   VAL  85           HB       VAL  85   0.535  -8.133 -12.968
  654   1HG1  VAL  85          1HG1      VAL  85   0.523 -10.124 -14.354
  655   2HG1  VAL  85          2HG1      VAL  85   0.145 -10.541 -12.682
  656   3HG1  VAL  85          3HG1      VAL  85   1.750 -10.870 -13.332
  657   1HG2  VAL  85          1HG2      VAL  85   1.042  -9.226 -10.834
  658   2HG2  VAL  85          2HG2      VAL  85   2.103  -7.850 -11.136
  659   3HG2  VAL  85          3HG2      VAL  85   2.700  -9.493 -11.369
  660    H    ARG  86           H        ARG  86   0.957  -6.737 -15.126
  661    HA   ARG  86           HA       ARG  86   0.513  -8.467 -17.372
  662   1HB   ARG  86          2HB       ARG  86  -0.900  -6.706 -18.225
  663   2HB   ARG  86          1HB       ARG  86  -1.179  -6.882 -16.503
  664   1HG   ARG  86          2HG       ARG  86   0.128  -4.927 -16.026
  665   2HG   ARG  86          1HG       ARG  86   0.547  -4.758 -17.732
  666   1HD   ARG  86          2HD       ARG  86  -1.609  -4.123 -18.324
  667   2HD   ARG  86          1HD       ARG  86  -2.317  -4.807 -16.863
  668    HE   ARG  86           HE       ARG  86  -1.547  -2.930 -15.639
  669   1HH1  ARG  86          1HH1      ARG  86  -0.968  -2.668 -19.085
  670   2HH1  ARG  86          2HH1      ARG  86  -0.807  -0.934 -19.053
  671   1HH2  ARG  86          1HH2      ARG  86  -1.311  -0.666 -15.586
  672   2HH2  ARG  86          2HH2      ARG  86  -1.004   0.202 -17.060
  673    H    LEU  87           H        LEU  87   2.824  -6.159 -16.532
  674    HA   LEU  87           HA       LEU  87   3.591  -5.325 -19.143
  675   1HB   LEU  87          2HB       LEU  87   4.122  -4.383 -16.705
  676   2HB   LEU  87          1HB       LEU  87   5.565  -5.352 -16.916
  677    HG   LEU  87           HG       LEU  87   4.695  -3.192 -18.841
  678   1HD1  LEU  87          1HD1      LEU  87   6.722  -3.093 -16.618
  679   2HD1  LEU  87          2HD1      LEU  87   5.196  -2.211 -16.688
  680   3HD1  LEU  87          3HD1      LEU  87   6.481  -1.845 -17.840
  681   1HD2  LEU  87          1HD2      LEU  87   7.315  -4.661 -18.549
  682   2HD2  LEU  87          2HD2      LEU  87   6.978  -3.358 -19.689
  683   3HD2  LEU  87          3HD2      LEU  87   6.136  -4.900 -19.838
  684    H    GLU  88           H        GLU  88   5.184  -7.563 -16.838
  685    HA   GLU  88           HA       GLU  88   6.242  -8.998 -19.180
  686   1HB   GLU  88          2HB       GLU  88   7.783  -8.406 -16.650
  687   2HB   GLU  88          1HB       GLU  88   8.362  -9.360 -18.006
  688   1HG   GLU  88          2HG       GLU  88   8.265  -7.393 -19.441
  689   2HG   GLU  88          1HG       GLU  88   7.667  -6.435 -18.085
  690    H    HIS  89           H        HIS  89   6.575  -9.490 -15.673
  691    HA   HIS  89           HA       HIS  89   6.300 -12.317 -16.013
  692   1HB   HIS  89          2HB       HIS  89   6.615 -10.559 -13.588
  693   2HB   HIS  89          1HB       HIS  89   6.404 -12.302 -13.460
  694    HD1  HIS  89           1HD      HIS  89   8.870  -9.684 -14.418
  695    HD2  HIS  89           2HD      HIS  89   8.597 -13.832 -14.306
  696    HE1  HIS  89           1HE      HIS  89  11.227 -10.527 -14.686
  697    HE2  HIS  89           2HE      HIS  89  11.048 -13.038 -14.527
  698    H    HIS  90           H        HIS  90   4.282 -12.886 -16.679
  699    HA   HIS  90           HA       HIS  90   1.916 -11.931 -15.324
  700   1HB   HIS  90          2HB       HIS  90   2.147 -14.239 -17.271
  701   2HB   HIS  90          1HB       HIS  90   0.675 -13.405 -16.798
  702    HD1  HIS  90           1HD      HIS  90   1.950 -10.475 -17.192
  703    HD2  HIS  90           2HD      HIS  90   1.971 -13.600 -19.938
  704    HE1  HIS  90           1HE      HIS  90   2.165  -9.393 -19.452
  705    HE2  HIS  90           2HE      HIS  90   2.032 -11.293 -21.105
  706    H    HIS  91           H        HIS  91   2.255 -12.575 -13.163
  707    HA   HIS  91           HA       HIS  91   1.982 -15.470 -12.743
  708   1HB   HIS  91          2HB       HIS  91   3.353 -15.321 -10.727
  709   2HB   HIS  91          1HB       HIS  91   4.259 -14.794 -12.136
  710    HD1  HIS  91           1HD      HIS  91   4.440 -12.069 -12.368
  711    HD2  HIS  91           2HD      HIS  91   3.431 -13.602  -8.639
  712    HE1  HIS  91           1HE      HIS  91   4.959 -10.241 -10.723
  713    HE2  HIS  91           2HE      HIS  91   4.550 -11.277  -8.462
  714    H    HIS  92           H        HIS  92   0.494 -16.139 -11.351
  715    HA   HIS  92           HA       HIS  92  -1.340 -16.154 -10.047
  716   1HB   HIS  92          2HB       HIS  92   0.004 -15.043  -8.336
  717   2HB   HIS  92          1HB       HIS  92  -0.341 -13.473  -9.057
  718    HD1  HIS  92           1HD      HIS  92  -2.206 -12.257  -7.985
  719    HD2  HIS  92           2HD      HIS  92  -2.557 -16.362  -7.479
  720    HE1  HIS  92           1HE      HIS  92  -4.250 -12.584  -6.568
  721    HE2  HIS  92           2HE      HIS  92  -4.599 -15.077  -6.538
  722    H    HIS  93           H        HIS  93  -2.851 -16.154 -11.629
  723    HA   HIS  93           HA       HIS  93  -3.947 -13.566 -12.460
  724   1HB   HIS  93          2HB       HIS  93  -4.496 -16.378 -13.443
  725   2HB   HIS  93          1HB       HIS  93  -5.343 -14.948 -14.024
  726    HD1  HIS  93           1HD      HIS  93  -2.172 -16.839 -14.368
  727    HD2  HIS  93           2HD      HIS  93  -3.770 -13.210 -15.627
  728    HE1  HIS  93           1HE      HIS  93  -0.645 -16.021 -16.186
  729    HE2  HIS  93           2HE      HIS  93  -1.774 -13.964 -17.102
  730    H    HIS  94           H        HIS  94  -4.967 -16.674 -11.041
  731    HA   HIS  94           HA       HIS  94  -7.196 -15.211  -9.810
  732   1HB   HIS  94          2HB       HIS  94  -8.461 -17.227  -9.637
  733   2HB   HIS  94          1HB       HIS  94  -7.854 -17.142 -11.281
  734    HD1  HIS  94           1HD      HIS  94  -8.050 -19.331  -8.382
  735    HD2  HIS  94           2HD      HIS  94  -5.619 -18.988 -11.742
  736    HE1  HIS  94           1HE      HIS  94  -6.876 -21.542  -8.597
  737    HE2  HIS  94           2HE      HIS  94  -5.608 -21.385 -10.766
  Start of MODEL   16
    1   1H    MET   1          1HT       MET   1   0.953  20.828   3.374
    2   2H    MET   1          2HT       MET   1   1.393  19.294   2.808
    3   3H    MET   1          3HT       MET   1   2.501  20.221   3.697
    4    HA   MET   1           HA       MET   1   1.011  20.115   5.630
    5   1HB   MET   1          2HB       MET   1  -0.523  18.308   3.768
    6   2HB   MET   1          1HB       MET   1  -0.710  18.234   5.514
    7   1HG   MET   1          2HG       MET   1  -1.256  20.618   3.761
    8   2HG   MET   1          1HG       MET   1  -2.456  19.565   4.505
    9   1HE   MET   1          1HE       MET   1  -2.891  22.875   6.539
   10   2HE   MET   1          2HE       MET   1  -3.710  21.610   5.624
   11   3HE   MET   1          3HE       MET   1  -2.569  22.684   4.815
   12    H    TYR   2           H        TYR   2   2.531  17.901   3.443
   13    HA   TYR   2           HA       TYR   2   3.561  16.419   5.760
   14   1HB   TYR   2          2HB       TYR   2   2.564  15.227   3.176
   15   2HB   TYR   2          1HB       TYR   2   3.564  14.347   4.318
   16    HD1  TYR   2           2HD      TYR   2   0.264  15.989   3.897
   17    HD2  TYR   2           1HD      TYR   2   2.627  13.335   6.239
   18    HE1  TYR   2           2HE      TYR   2  -1.737  15.308   5.144
   19    HE2  TYR   2           1HE      TYR   2   0.623  12.648   7.489
   20    HH   TYR   2           HH       TYR   2  -1.566  13.422   8.007
   21    H    THR   3           H        THR   3   5.584  17.074   5.831
   22    HA   THR   3           HA       THR   3   7.150  17.366   3.391
   23    HB   THR   3           HB       THR   3   8.930  18.184   4.998
   24    HG1  THR   3           1HG      THR   3   8.521  18.191   7.082
   25   1HG2  THR   3          1HG2      THR   3   7.463  19.721   3.749
   26   2HG2  THR   3          2HG2      THR   3   7.891  20.355   5.339
   27   3HG2  THR   3          3HG2      THR   3   6.295  19.654   5.070
   28    H    ALA   4           H        ALA   4   9.672  16.745   4.269
   29    HA   ALA   4           HA       ALA   4   9.862  14.020   3.737
   30   1HB   ALA   4          1HB       ALA   4  11.911  15.765   5.094
   31   2HB   ALA   4          2HB       ALA   4  11.670  15.640   3.351
   32   3HB   ALA   4          3HB       ALA   4  12.216  14.237   4.270
   33    H    GLU   5           H        GLU   5   9.873  15.729   6.827
   34    HA   GLU   5           HA       GLU   5  10.656  13.614   8.477
   35   1HB   GLU   5          2HB       GLU   5   8.703  15.777   9.228
   36   2HB   GLU   5          1HB       GLU   5   9.768  14.877  10.293
   37   1HG   GLU   5          2HG       GLU   5  10.977  16.766  10.124
   38   2HG   GLU   5          1HG       GLU   5  11.615  15.926   8.715
   39    H    GLN   6           H        GLN   6   7.483  14.587   7.328
   40    HA   GLN   6           HA       GLN   6   5.980  12.856   8.960
   41   1HB   GLN   6          2HB       GLN   6   5.456  14.593   6.645
   42   2HB   GLN   6          1HB       GLN   6   4.361  13.230   6.802
   43   1HG   GLN   6          2HG       GLN   6   3.415  15.142   7.888
   44   2HG   GLN   6          1HG       GLN   6   3.842  13.939   9.099
   45   1HE2  GLN   6          1HE2      GLN   6   6.164  16.039   7.525
   46   2HE2  GLN   6          2HE2      GLN   6   6.548  16.979   8.925
   47    H    LYS   7           H        LYS   7   7.086  12.509   5.588
   48    HA   LYS   7           HA       LYS   7   5.963   9.919   5.329
   49   1HB   LYS   7          2HB       LYS   7   7.212   9.690   3.271
   50   2HB   LYS   7          1HB       LYS   7   6.481  11.283   3.354
   51   1HG   LYS   7          2HG       LYS   7   8.579  12.303   3.828
   52   2HG   LYS   7          1HG       LYS   7   9.359  10.733   4.033
   53   1HD   LYS   7          2HD       LYS   7   9.894  11.671   1.848
   54   2HD   LYS   7          1HD       LYS   7   8.913  10.214   1.674
   55   1HE   LYS   7          2HE       LYS   7   6.908  11.679   1.452
   56   2HE   LYS   7          1HE       LYS   7   7.985  13.074   1.450
   57   1HZ   LYS   7          1HZ       LYS   7   9.111  11.947  -0.506
   58   2HZ   LYS   7          2HZ       LYS   7   7.580  12.611  -0.783
   59   3HZ   LYS   7          3HZ       LYS   7   7.748  10.932  -0.588
   60    H    ALA   8           H        ALA   8   8.984  11.126   6.568
   61    HA   ALA   8           HA       ALA   8  10.426   8.709   6.598
   62   1HB   ALA   8          1HB       ALA   8  11.464  10.888   6.990
   63   2HB   ALA   8          2HB       ALA   8  11.825   9.752   8.290
   64   3HB   ALA   8          3HB       ALA   8  10.617  11.015   8.532
   65    H    ARG   9           H        ARG   9   8.218  10.143   9.000
   66    HA   ARG   9           HA       ARG   9   8.492   8.042  10.877
   67   1HB   ARG   9          2HB       ARG   9   6.433  10.176  10.441
   68   2HB   ARG   9          1HB       ARG   9   6.161   8.908  11.631
   69   1HG   ARG   9          2HG       ARG   9   8.296   9.518  12.710
   70   2HG   ARG   9          1HG       ARG   9   8.459  10.850  11.568
   71   1HD   ARG   9          2HD       ARG   9   6.020  10.566  13.294
   72   2HD   ARG   9          1HD       ARG   9   7.482  11.344  13.899
   73    HE   ARG   9           HE       ARG   9   5.661  12.358  11.859
   74   1HH1  ARG   9          1HH1      ARG   9   8.736  12.649  13.517
   75   2HH1  ARG   9          2HH1      ARG   9   8.945  14.327  13.112
   76   1HH2  ARG   9          1HH2      ARG   9   5.900  14.606  11.393
   77   2HH2  ARG   9          2HH2      ARG   9   7.320  15.446  11.943
   78    H    ILE  10           H        ILE  10   6.414   8.514   8.108
   79    HA   ILE  10           HA       ILE  10   4.802   6.212   8.440
   80    HB   ILE  10           HB       ILE  10   5.625   7.620   5.897
   81   1HG1  ILE  10          2HG1      ILE  10   3.114   7.834   7.568
   82   2HG1  ILE  10          1HG1      ILE  10   4.402   9.028   7.526
   83   1HG2  ILE  10          1HG2      ILE  10   3.396   5.639   6.364
   84   2HG2  ILE  10          2HG2      ILE  10   4.870   5.342   5.442
   85   3HG2  ILE  10          3HG2      ILE  10   3.696   6.526   4.869
   86   1HD1  ILE  10          1HD1      ILE  10   2.526   9.723   6.168
   87   2HD1  ILE  10          2HD1      ILE  10   2.653   8.246   5.213
   88   3HD1  ILE  10          3HD1      ILE  10   3.951   9.439   5.166
   89    H    LYS  11           H        LYS  11   7.860   6.781   6.805
   90    HA   LYS  11           HA       LYS  11   8.377   4.293   5.706
   91   1HB   LYS  11          2HB       LYS  11   9.775   6.202   5.246
   92   2HB   LYS  11          1HB       LYS  11  10.245   6.324   6.932
   93   1HG   LYS  11          2HG       LYS  11  12.057   5.401   5.679
   94   2HG   LYS  11          1HG       LYS  11  11.392   4.145   6.724
   95   1HD   LYS  11          2HD       LYS  11  10.256   3.124   4.890
   96   2HD   LYS  11          1HD       LYS  11  10.647   4.474   3.823
   97   1HE   LYS  11          2HE       LYS  11  12.608   2.546   5.061
   98   2HE   LYS  11          1HE       LYS  11  12.099   2.577   3.372
   99   1HZ   LYS  11          1HZ       LYS  11  13.651   4.661   4.810
  100   2HZ   LYS  11          2HZ       LYS  11  13.012   4.867   3.255
  101   3HZ   LYS  11          3HZ       LYS  11  14.188   3.681   3.533
  102    H    TRP  12           H        TRP  12   8.797   5.385   9.034
  103    HA   TRP  12           HA       TRP  12  10.174   3.099   9.972
  104   1HB   TRP  12          2HB       TRP  12   8.554   5.236  11.328
  105   2HB   TRP  12          1HB       TRP  12   9.207   3.877  12.237
  106    HD1  TRP  12           HD       TRP  12  11.047   5.858   9.453
  107    HE1  TRP  12           1HE      TRP  12  13.191   6.854  10.475
  108    HE3  TRP  12           3HE      TRP  12  10.357   4.447  14.315
  109    HZ2  TRP  12           2HZ      TRP  12  14.413   7.025  13.001
  110    HZ3  TRP  12           3HZ      TRP  12  12.062   5.070  15.974
  111    HH2  TRP  12           HH       TRP  12  14.048   6.332  15.329
  112    H    ALA  13           H        ALA  13   6.872   3.640   9.193
  113    HA   ALA  13           HA       ALA  13   5.996   1.281  10.699
  114   1HB   ALA  13          1HB       ALA  13   3.716   2.016  10.164
  115   2HB   ALA  13          2HB       ALA  13   4.370   3.337   9.194
  116   3HB   ALA  13          3HB       ALA  13   4.640   3.305  10.936
  117    H    CYS  14           H        CYS  14   7.691   1.171   8.309
  118    HA   CYS  14           HA       CYS  14   6.311   0.407   6.012
  119   1HB   CYS  14          2HB       CYS  14   8.511  -0.945   5.609
  120   2HB   CYS  14          1HB       CYS  14   8.555   0.815   5.649
  121    HG   CYS  14           HG       CYS  14  10.032   1.113   7.761
  122    H    ARG  15           H        ARG  15   6.913  -1.353   8.941
  123    HA   ARG  15           HA       ARG  15   5.935  -3.240   9.747
  124   1HB   ARG  15          2HB       ARG  15   4.333  -2.651   7.426
  125   2HB   ARG  15          1HB       ARG  15   4.530  -4.389   7.594
  126   1HG   ARG  15          2HG       ARG  15   3.695  -2.694   9.915
  127   2HG   ARG  15          1HG       ARG  15   2.525  -3.266   8.722
  128   1HD   ARG  15          2HD       ARG  15   3.029  -5.544   9.206
  129   2HD   ARG  15          1HD       ARG  15   4.423  -5.089  10.185
  130    HE   ARG  15           HE       ARG  15   2.735  -4.027  11.716
  131   1HH1  ARG  15          1HH1      ARG  15   1.785  -6.680   9.613
  132   2HH1  ARG  15          2HH1      ARG  15   0.603  -7.287  10.722
  133   1HH2  ARG  15          1HH2      ARG  15   1.184  -4.840  13.162
  134   2HH2  ARG  15          2HH2      ARG  15   0.263  -6.259  12.747
  135    H    ARG  16           H        ARG  16   7.124  -4.963  10.116
  136    HA   ARG  16           HA       ARG  16   8.581  -6.193   7.913
  137   1HB   ARG  16          2HB       ARG  16   9.730  -7.531   9.671
  138   2HB   ARG  16          1HB       ARG  16   9.959  -5.800   9.838
  139   1HG   ARG  16          2HG       ARG  16   7.768  -7.084  11.380
  140   2HG   ARG  16          1HG       ARG  16   9.435  -7.327  11.907
  141   1HD   ARG  16          2HD       ARG  16   8.102  -4.662  11.452
  142   2HD   ARG  16          1HD       ARG  16   8.385  -5.411  13.024
  143    HE   ARG  16           HE       ARG  16  10.723  -4.999  11.349
  144   1HH1  ARG  16          1HH1      ARG  16   8.704  -3.776  13.930
  145   2HH1  ARG  16          2HH1      ARG  16   9.948  -2.764  14.596
  146   1HH2  ARG  16          1HH2      ARG  16  12.376  -3.687  12.231
  147   2HH2  ARG  16          2HH2      ARG  16  12.039  -2.726  13.647
  148    H    GLY  17           H        GLY  17   8.019  -8.017   7.008
  149   1HA   GLY  17          2HA       GLY  17   6.789 -10.208   8.226
  150   2HA   GLY  17          1HA       GLY  17   5.516  -9.214   7.523
  151    H    MET  18           H        MET  18   6.502  -8.297   5.261
  152    HA   MET  18           HA       MET  18   7.556 -10.597   3.764
  153   1HB   MET  18          2HB       MET  18   5.348  -8.746   2.823
  154   2HB   MET  18          1HB       MET  18   6.080 -10.031   1.878
  155   1HG   MET  18          2HG       MET  18   4.512 -10.425   4.412
  156   2HG   MET  18          1HG       MET  18   3.884 -10.635   2.780
  157   1HE   MET  18          1HE       MET  18   6.333 -12.020   1.261
  158   2HE   MET  18          2HE       MET  18   4.650 -12.524   1.116
  159   3HE   MET  18          3HE       MET  18   5.899 -13.715   1.477
  160    H    LEU  19           H        LEU  19   9.428 -10.025   2.850
  161    HA   LEU  19           HA       LEU  19  10.459  -7.431   2.946
  162   1HB   LEU  19          2HB       LEU  19  11.290  -9.738   1.189
  163   2HB   LEU  19          1HB       LEU  19  12.247  -8.305   1.501
  164    HG   LEU  19           HG       LEU  19  11.449 -10.375   3.545
  165   1HD1  LEU  19          1HD1      LEU  19  13.834 -10.899   3.607
  166   2HD1  LEU  19          2HD1      LEU  19  14.123  -9.738   2.311
  167   3HD1  LEU  19          3HD1      LEU  19  13.152 -11.177   2.005
  168   1HD2  LEU  19          1HD2      LEU  19  11.557  -8.153   4.534
  169   2HD2  LEU  19          2HD2      LEU  19  13.156  -7.905   3.834
  170   3HD2  LEU  19          3HD2      LEU  19  12.915  -9.142   5.070
  171    H    GLU  20           H        GLU  20   8.691  -9.136   0.467
  172    HA   GLU  20           HA       GLU  20   9.182  -7.312  -1.650
  173   1HB   GLU  20          2HB       GLU  20   6.952  -9.310  -1.231
  174   2HB   GLU  20          1HB       GLU  20   7.291  -8.482  -2.748
  175   1HG   GLU  20          2HG       GLU  20   9.308  -9.608  -3.051
  176   2HG   GLU  20          1HG       GLU  20   9.388 -10.108  -1.363
  177    H    LEU  21           H        LEU  21   6.732  -7.509   0.870
  178    HA   LEU  21           HA       LEU  21   5.057  -5.459  -0.211
  179   1HB   LEU  21          2HB       LEU  21   5.259  -6.651   2.553
  180   2HB   LEU  21          1HB       LEU  21   4.096  -5.410   2.132
  181    HG   LEU  21           HG       LEU  21   4.252  -8.188   0.972
  182   1HD1  LEU  21          1HD1      LEU  21   3.343  -8.115   3.225
  183   2HD1  LEU  21          2HD1      LEU  21   2.076  -8.481   2.054
  184   3HD1  LEU  21          3HD1      LEU  21   2.202  -6.862   2.740
  185   1HD2  LEU  21          1HD2      LEU  21   3.569  -6.574  -0.734
  186   2HD2  LEU  21          2HD2      LEU  21   2.315  -5.960   0.346
  187   3HD2  LEU  21          3HD2      LEU  21   2.227  -7.614  -0.258
  188    H    ASP  22           H        ASP  22   7.775  -5.575   1.966
  189    HA   ASP  22           HA       ASP  22   7.755  -2.944   2.929
  190   1HB   ASP  22          2HB       ASP  22   9.229  -4.578   3.905
  191   2HB   ASP  22          1HB       ASP  22  10.032  -4.859   2.368
  192    H    VAL  23           H        VAL  23   8.807  -4.303  -0.112
  193    HA   VAL  23           HA       VAL  23  10.126  -1.944  -1.057
  194    HB   VAL  23           HB       VAL  23   9.082  -4.295  -2.650
  195   1HG1  VAL  23          1HG1      VAL  23  10.701  -3.621  -4.341
  196   2HG1  VAL  23          2HG1      VAL  23  11.181  -2.246  -3.347
  197   3HG1  VAL  23          3HG1      VAL  23   9.553  -2.322  -4.020
  198   1HG2  VAL  23          1HG2      VAL  23  10.633  -5.005  -0.913
  199   2HG2  VAL  23          2HG2      VAL  23  11.819  -3.830  -1.486
  200   3HG2  VAL  23          3HG2      VAL  23  11.341  -5.180  -2.517
  201    H    VAL  24           H        VAL  24   6.858  -3.113  -1.033
  202    HA   VAL  24           HA       VAL  24   5.870  -1.667  -3.258
  203    HB   VAL  24           HB       VAL  24   4.397  -2.753  -0.850
  204   1HG1  VAL  24          1HG1      VAL  24   2.364  -2.557  -2.160
  205   2HG1  VAL  24          2HG1      VAL  24   3.269  -1.847  -3.497
  206   3HG1  VAL  24          3HG1      VAL  24   3.121  -0.974  -1.973
  207   1HG2  VAL  24          1HG2      VAL  24   4.820  -3.872  -3.616
  208   2HG2  VAL  24          2HG2      VAL  24   3.764  -4.570  -2.388
  209   3HG2  VAL  24          3HG2      VAL  24   5.504  -4.488  -2.112
  210    H    ILE  25           H        ILE  25   5.848  -0.949   0.231
  211    HA   ILE  25           HA       ILE  25   4.175   1.277   0.108
  212    HB   ILE  25           HB       ILE  25   6.381   0.725   2.095
  213   1HG1  ILE  25          2HG1      ILE  25   3.428   0.059   2.133
  214   2HG1  ILE  25          1HG1      ILE  25   4.744  -1.093   1.942
  215   1HG2  ILE  25          1HG2      ILE  25   5.686   3.052   2.189
  216   2HG2  ILE  25          2HG2      ILE  25   5.102   2.183   3.608
  217   3HG2  ILE  25          3HG2      ILE  25   3.994   2.566   2.289
  218   1HD1  ILE  25          1HD1      ILE  25   3.792  -1.075   4.203
  219   2HD1  ILE  25          2HD1      ILE  25   4.293   0.606   4.382
  220   3HD1  ILE  25          3HD1      ILE  25   5.505  -0.660   4.180
  221    H    MET  26           H        MET  26   7.649   1.072  -0.449
  222    HA   MET  26           HA       MET  26   8.321   3.719   0.142
  223   1HB   MET  26          2HB       MET  26   9.993   1.982  -0.002
  224   2HB   MET  26          1HB       MET  26   9.677   1.763  -1.717
  225   1HG   MET  26          2HG       MET  26  10.545   3.963  -2.195
  226   2HG   MET  26          1HG       MET  26  10.752   4.281  -0.473
  227   1HE   MET  26          1HE       MET  26  11.455   0.841  -2.246
  228   2HE   MET  26          2HE       MET  26  13.142   1.033  -2.725
  229   3HE   MET  26          3HE       MET  26  11.893   2.019  -3.485
  230    HA   PRO  27           HA       PRO  27   7.713   5.064  -4.342
  231   1HB   PRO  27          2HB       PRO  27   6.896   3.041  -6.154
  232   2HB   PRO  27          1HB       PRO  27   8.495   3.771  -6.018
  233   1HG   PRO  27          2HG       PRO  27   7.853   1.119  -5.433
  234   2HG   PRO  27          1HG       PRO  27   9.330   1.961  -4.941
  235   1HD   PRO  27          2HD       PRO  27   6.852   1.400  -3.379
  236   2HD   PRO  27          1HD       PRO  27   8.544   1.457  -2.838
  237    H    PHE  28           H        PHE  28   5.385   2.575  -3.426
  238    HA   PHE  28           HA       PHE  28   3.277   3.561  -5.041
  239   1HB   PHE  28          2HB       PHE  28   3.378   1.655  -2.727
  240   2HB   PHE  28          1HB       PHE  28   1.833   2.192  -3.376
  241    HD1  PHE  28           1HD      PHE  28   5.092   0.837  -4.614
  242    HD2  PHE  28           2HD      PHE  28   0.853   0.880  -4.972
  243    HE1  PHE  28           1HE      PHE  28   5.223  -0.900  -6.350
  244    HE2  PHE  28           2HE      PHE  28   0.976  -0.855  -6.707
  245    HZ   PHE  28           HZ       PHE  28   3.164  -1.747  -7.401
  246    H    PHE  29           H        PHE  29   4.263   4.253  -1.709
  247    HA   PHE  29           HA       PHE  29   2.034   5.790  -0.966
  248   1HB   PHE  29          2HB       PHE  29   3.680   5.199   0.706
  249   2HB   PHE  29          1HB       PHE  29   4.940   6.070  -0.166
  250    HD1  PHE  29           2HD      PHE  29   1.620   6.652   1.435
  251    HD2  PHE  29           1HD      PHE  29   5.462   8.223   0.483
  252    HE1  PHE  29           2HE      PHE  29   1.100   8.695   2.703
  253    HE2  PHE  29           1HE      PHE  29   4.941  10.271   1.741
  254    HZ   PHE  29           HZ       PHE  29   2.759  10.506   2.853
  255    H    GLU  30           H        GLU  30   5.049   6.763  -2.537
  256    HA   GLU  30           HA       GLU  30   4.581   9.480  -2.806
  257   1HB   GLU  30          2HB       GLU  30   5.934   7.678  -4.822
  258   2HB   GLU  30          1HB       GLU  30   6.183   9.395  -4.620
  259   1HG   GLU  30          2HG       GLU  30   6.753   7.466  -2.456
  260   2HG   GLU  30          1HG       GLU  30   7.939   7.869  -3.681
  261    H    GLU  31           H        GLU  31   3.539   6.791  -4.823
  262    HA   GLU  31           HA       GLU  31   2.353   8.352  -6.881
  263   1HB   GLU  31          2HB       GLU  31   2.017   5.464  -6.072
  264   2HB   GLU  31          1HB       GLU  31   1.224   6.165  -7.476
  265   1HG   GLU  31          2HG       GLU  31   4.202   6.118  -7.056
  266   2HG   GLU  31          1HG       GLU  31   3.306   4.922  -7.992
  267    H    CYS  32           H        CYS  32   0.922   6.582  -4.117
  268    HA   CYS  32           HA       CYS  32  -1.737   7.287  -4.906
  269   1HB   CYS  32          2HB       CYS  32  -2.412   6.248  -2.751
  270   2HB   CYS  32          1HB       CYS  32  -1.406   5.204  -3.746
  271    HG   CYS  32           HG       CYS  32   0.860   5.435  -2.239
  272    H    PHE  33           H        PHE  33   0.619   8.641  -2.717
  273    HA   PHE  33           HA       PHE  33  -0.924  10.263  -1.100
  274   1HB   PHE  33          2HB       PHE  33   1.433  10.085  -0.729
  275   2HB   PHE  33          1HB       PHE  33   1.800  10.731  -2.322
  276    HD1  PHE  33           1HD      PHE  33   0.349  11.613   0.977
  277    HD2  PHE  33           2HD      PHE  33   2.115  13.034  -2.628
  278    HE1  PHE  33           1HE      PHE  33   0.521  13.865   1.955
  279    HE2  PHE  33           2HE      PHE  33   2.291  15.290  -1.657
  280    HZ   PHE  33           HZ       PHE  33   1.494  15.705   0.639
  281    H    ASP  34           H        ASP  34   0.007  10.734  -4.437
  282    HA   ASP  34           HA       ASP  34  -0.760  13.410  -4.768
  283   1HB   ASP  34          2HB       ASP  34   0.587  12.410  -6.443
  284   2HB   ASP  34          1HB       ASP  34  -0.544  11.084  -6.673
  285    H    SER  35           H        SER  35  -2.693  10.520  -4.560
  286    HA   SER  35           HA       SER  35  -5.058  12.112  -5.291
  287   1HB   SER  35          2HB       SER  35  -6.051   9.780  -5.849
  288   2HB   SER  35          1HB       SER  35  -4.933  10.523  -6.994
  289    HG   SER  35           HG       SER  35  -3.440   9.076  -6.516
  290    H    LEU  36           H        LEU  36  -3.549  11.134  -2.684
  291    HA   LEU  36           HA       LEU  36  -5.883  10.085  -1.269
  292   1HB   LEU  36          2HB       LEU  36  -3.012  10.481  -0.458
  293   2HB   LEU  36          1HB       LEU  36  -4.261  10.063   0.698
  294    HG   LEU  36           HG       LEU  36  -3.398   8.402  -1.669
  295   1HD1  LEU  36          1HD1      LEU  36  -2.620   6.833   0.062
  296   2HD1  LEU  36          2HD1      LEU  36  -3.024   8.023   1.300
  297   3HD1  LEU  36          3HD1      LEU  36  -1.767   8.374   0.114
  298   1HD2  LEU  36          1HD2      LEU  36  -5.464   7.831   0.453
  299   2HD2  LEU  36          2HD2      LEU  36  -4.908   6.698  -0.781
  300   3HD2  LEU  36          3HD2      LEU  36  -5.782   8.155  -1.252
  301    H    THR  37           H        THR  37  -5.761  11.066   1.163
  302    HA   THR  37           HA       THR  37  -5.532  13.969   1.115
  303    HB   THR  37           HB       THR  37  -8.056  12.765   2.226
  304    HG1  THR  37           1HG      THR  37  -7.391  13.156  -0.465
  305   1HG2  THR  37          1HG2      THR  37  -7.538  15.077   2.813
  306   2HG2  THR  37          2HG2      THR  37  -8.961  15.004   1.774
  307   3HG2  THR  37          3HG2      THR  37  -7.405  15.492   1.103
  308    H    GLU  38           H        GLU  38  -5.863  14.784   3.457
  309    HA   GLU  38           HA       GLU  38  -4.074  13.406   5.134
  310   1HB   GLU  38          2HB       GLU  38  -6.179  15.404   5.995
  311   2HB   GLU  38          1HB       GLU  38  -4.736  14.963   6.888
  312   1HG   GLU  38          2HG       GLU  38  -4.043  16.908   5.974
  313   2HG   GLU  38          1HG       GLU  38  -3.549  15.802   4.698
  314    H    SER  39           H        SER  39  -7.614  13.531   5.154
  315    HA   SER  39           HA       SER  39  -8.122  11.925   7.352
  316   1HB   SER  39          2HB       SER  39 -10.243  11.348   6.086
  317   2HB   SER  39          1HB       SER  39  -9.921  13.067   6.279
  318    HG   SER  39           HG       SER  39 -10.359  11.781   4.038
  319    H    GLU  40           H        GLU  40  -7.675  10.946   3.962
  320    HA   GLU  40           HA       GLU  40  -7.929   8.169   4.414
  321   1HB   GLU  40          2HB       GLU  40  -6.360   9.496   2.199
  322   2HB   GLU  40          1HB       GLU  40  -7.074   7.890   2.180
  323   1HG   GLU  40          2HG       GLU  40  -8.600  10.481   2.282
  324   2HG   GLU  40          1HG       GLU  40  -8.347   9.491   0.848
  325    H    GLN  41           H        GLN  41  -5.224  10.380   4.479
  326    HA   GLN  41           HA       GLN  41  -3.162   8.458   4.636
  327   1HB   GLN  41          2HB       GLN  41  -3.400  11.378   5.238
  328   2HB   GLN  41          1HB       GLN  41  -1.949  10.521   5.723
  329   1HG   GLN  41          2HG       GLN  41  -1.593   9.814   3.410
  330   2HG   GLN  41          1HG       GLN  41  -3.055  10.670   2.931
  331   1HE2  GLN  41          1HE2      GLN  41  -3.043  12.903   2.844
  332   2HE2  GLN  41          2HE2      GLN  41  -1.582  13.820   2.864
  333    H    ASP  42           H        ASP  42  -5.296   9.859   7.024
  334    HA   ASP  42           HA       ASP  42  -3.906   8.936   9.320
  335   1HB   ASP  42          2HB       ASP  42  -5.647  10.614   9.545
  336   2HB   ASP  42          1HB       ASP  42  -6.849   9.500   8.904
  337    H    ASP  43           H        ASP  43  -6.538   7.563   7.390
  338    HA   ASP  43           HA       ASP  43  -6.735   5.124   8.798
  339   1HB   ASP  43          2HB       ASP  43  -7.522   5.973   6.023
  340   2HB   ASP  43          1HB       ASP  43  -7.721   4.309   6.559
  341    H    PHE  44           H        PHE  44  -4.739   6.184   6.111
  342    HA   PHE  44           HA       PHE  44  -3.624   3.714   5.402
  343   1HB   PHE  44          2HB       PHE  44  -3.405   5.777   4.055
  344   2HB   PHE  44          1HB       PHE  44  -2.333   6.454   5.273
  345    HD1  PHE  44           1HD      PHE  44  -2.659   3.505   3.024
  346    HD2  PHE  44           2HD      PHE  44  -0.061   6.210   5.031
  347    HE1  PHE  44           1HE      PHE  44  -0.732   2.507   1.865
  348    HE2  PHE  44           2HE      PHE  44   1.870   5.218   3.877
  349    HZ   PHE  44           HZ       PHE  44   1.536   3.365   2.291
  350    H    VAL  45           H        VAL  45  -2.416   6.183   7.680
  351    HA   VAL  45           HA       VAL  45  -0.172   4.666   8.509
  352    HB   VAL  45           HB       VAL  45  -1.635   6.872   9.975
  353   1HG1  VAL  45          1HG1      VAL  45   1.107   5.709  10.460
  354   2HG1  VAL  45          2HG1      VAL  45  -0.293   5.570  11.524
  355   3HG1  VAL  45          3HG1      VAL  45   0.454   7.145  11.249
  356   1HG2  VAL  45          1HG2      VAL  45  -0.772   7.602   7.817
  357   2HG2  VAL  45          2HG2      VAL  45   0.821   6.963   8.222
  358   3HG2  VAL  45          3HG2      VAL  45   0.159   8.320   9.132
  359    H    ALA  46           H        ALA  46  -3.482   4.943   9.710
  360    HA   ALA  46           HA       ALA  46  -3.204   3.408  12.039
  361   1HB   ALA  46          1HB       ALA  46  -5.196   4.738  11.545
  362   2HB   ALA  46          2HB       ALA  46  -5.607   3.064  11.918
  363   3HB   ALA  46          3HB       ALA  46  -5.614   3.617  10.245
  364    H    LEU  47           H        LEU  47  -3.966   2.448   8.717
  365    HA   LEU  47           HA       LEU  47  -4.380  -0.291   9.284
  366   1HB   LEU  47          2HB       LEU  47  -5.159   0.922   7.241
  367   2HB   LEU  47          1HB       LEU  47  -3.501   0.935   6.674
  368    HG   LEU  47           HG       LEU  47  -3.500  -1.527   6.615
  369   1HD1  LEU  47          1HD1      LEU  47  -6.414  -1.266   7.356
  370   2HD1  LEU  47          2HD1      LEU  47  -5.142  -1.919   8.390
  371   3HD1  LEU  47          3HD1      LEU  47  -5.587  -2.754   6.901
  372   1HD2  LEU  47          1HD2      LEU  47  -5.802  -0.276   5.119
  373   2HD2  LEU  47          2HD2      LEU  47  -4.973  -1.774   4.692
  374   3HD2  LEU  47          3HD2      LEU  47  -4.110  -0.237   4.622
  375    H    LEU  48           H        LEU  48  -1.503   1.554   8.413
  376    HA   LEU  48           HA       LEU  48   0.201  -0.613   7.855
  377   1HB   LEU  48          2HB       LEU  48   0.832   2.138   8.914
  378   2HB   LEU  48          1HB       LEU  48   2.048   0.992   8.385
  379    HG   LEU  48           HG       LEU  48  -0.091   2.243   6.658
  380   1HD1  LEU  48          1HD1      LEU  48   1.779   3.352   5.560
  381   2HD1  LEU  48          2HD1      LEU  48   2.900   2.607   6.700
  382   3HD1  LEU  48          3HD1      LEU  48   1.708   3.774   7.271
  383   1HD2  LEU  48          1HD2      LEU  48   0.389  -0.048   5.960
  384   2HD2  LEU  48          2HD2      LEU  48   2.114   0.317   5.929
  385   3HD2  LEU  48          3HD2      LEU  48   1.022   1.116   4.797
  386    H    GLU  49           H        GLU  49  -0.721   0.885  10.896
  387    HA   GLU  49           HA       GLU  49   1.199  -0.706  12.365
  388   1HB   GLU  49          2HB       GLU  49  -0.927   1.232  13.265
  389   2HB   GLU  49          1HB       GLU  49   0.068   0.307  14.385
  390   1HG   GLU  49          2HG       GLU  49   2.078   1.303  13.263
  391   2HG   GLU  49          1HG       GLU  49   0.973   2.371  12.397
  392    H    SER  50           H        SER  50  -1.877  -1.166  11.113
  393    HA   SER  50           HA       SER  50  -2.728  -3.044  13.172
  394   1HB   SER  50          2HB       SER  50  -4.075  -2.261  10.574
  395   2HB   SER  50          1HB       SER  50  -4.792  -3.225  11.866
  396    HG   SER  50           HG       SER  50  -3.907  -0.526  12.073
  397    H    ASP  51           H        ASP  51  -3.654  -5.189  12.268
  398    HA   ASP  51           HA       ASP  51  -1.508  -6.611  11.044
  399   1HB   ASP  51          2HB       ASP  51  -3.186  -7.475  12.783
  400   2HB   ASP  51          1HB       ASP  51  -4.310  -7.662  11.443
  401    H    ASP  52           H        ASP  52  -1.750  -7.965   9.071
  402    HA   ASP  52           HA       ASP  52  -3.244  -6.416   7.047
  403   1HB   ASP  52          2HB       ASP  52  -1.352  -6.837   5.510
  404   2HB   ASP  52          1HB       ASP  52  -0.865  -5.935   6.940
  405    HA   PRO  53           HA       PRO  53  -4.098 -10.977   6.259
  406   1HB   PRO  53          2HB       PRO  53  -6.717 -10.902   7.418
  407   2HB   PRO  53          1HB       PRO  53  -5.320 -11.833   7.960
  408   1HG   PRO  53          2HG       PRO  53  -6.454  -9.751   9.370
  409   2HG   PRO  53          1HG       PRO  53  -4.786 -10.314   9.569
  410   1HD   PRO  53          2HD       PRO  53  -5.823  -7.976   8.015
  411   2HD   PRO  53          1HD       PRO  53  -4.360  -8.108   9.018
  412    H    ASP  54           H        ASP  54  -6.830  -8.697   6.526
  413    HA   ASP  54           HA       ASP  54  -7.947  -9.415   4.013
  414   1HB   ASP  54          2HB       ASP  54  -9.398  -7.431   4.342
  415   2HB   ASP  54          1HB       ASP  54  -9.367  -8.479   5.753
  416    H    LEU  55           H        LEU  55  -5.691  -7.005   5.134
  417    HA   LEU  55           HA       LEU  55  -5.530  -5.366   2.886
  418   1HB   LEU  55          2HB       LEU  55  -4.456  -4.977   5.110
  419   2HB   LEU  55          1HB       LEU  55  -3.271  -6.203   4.715
  420    HG   LEU  55           HG       LEU  55  -3.603  -3.750   2.998
  421   1HD1  LEU  55          1HD1      LEU  55  -3.250  -2.948   5.257
  422   2HD1  LEU  55          2HD1      LEU  55  -1.779  -2.733   4.307
  423   3HD1  LEU  55          3HD1      LEU  55  -1.894  -4.057   5.466
  424   1HD2  LEU  55          1HD2      LEU  55  -1.265  -5.591   3.524
  425   2HD2  LEU  55          2HD2      LEU  55  -1.263  -4.194   2.447
  426   3HD2  LEU  55          3HD2      LEU  55  -2.275  -5.590   2.077
  427    H    PHE  56           H        PHE  56  -3.682  -8.301   3.694
  428    HA   PHE  56           HA       PHE  56  -2.126  -8.440   1.376
  429   1HB   PHE  56          2HB       PHE  56  -1.826  -9.765   3.500
  430   2HB   PHE  56          1HB       PHE  56  -3.170 -10.778   2.989
  431    HD1  PHE  56           2HD      PHE  56   0.168  -9.586   1.863
  432    HD2  PHE  56           1HD      PHE  56  -2.774 -12.655   1.710
  433    HE1  PHE  56           2HE      PHE  56   1.728 -11.012   0.600
  434    HE2  PHE  56           1HE      PHE  56  -1.222 -14.088   0.449
  435    HZ   PHE  56           HZ       PHE  56   1.030 -13.268  -0.108
  436    H    ALA  57           H        ALA  57  -5.396  -9.486   2.029
  437    HA   ALA  57           HA       ALA  57  -5.646 -11.106  -0.312
  438   1HB   ALA  57          1HB       ALA  57  -7.985 -11.292   0.308
  439   2HB   ALA  57          2HB       ALA  57  -7.791  -9.998   1.491
  440   3HB   ALA  57          3HB       ALA  57  -6.949 -11.530   1.716
  441    H    TRP  58           H        TRP  58  -6.308  -7.731   0.442
  442    HA   TRP  58           HA       TRP  58  -7.843  -7.355  -1.949
  443   1HB   TRP  58          2HB       TRP  58  -6.852  -5.523   0.182
  444   2HB   TRP  58          1HB       TRP  58  -7.404  -4.850  -1.352
  445    HD1  TRP  58           HD       TRP  58  -8.717  -7.142   1.456
  446    HE1  TRP  58           1HE      TRP  58 -11.265  -6.842   1.623
  447    HE3  TRP  58           3HE      TRP  58  -9.419  -4.018  -2.529
  448    HZ2  TRP  58           2HZ      TRP  58 -13.308  -5.479   0.230
  449    HZ3  TRP  58           3HZ      TRP  58 -11.705  -3.276  -3.056
  450    HH2  TRP  58           HH       TRP  58 -13.610  -3.994  -1.704
  451    H    VAL  59           H        VAL  59  -4.493  -7.078  -1.062
  452    HA   VAL  59           HA       VAL  59  -3.627  -5.536  -3.265
  453    HB   VAL  59           HB       VAL  59  -2.090  -7.592  -1.661
  454   1HG1  VAL  59          1HG1      VAL  59  -1.080  -5.438  -3.522
  455   2HG1  VAL  59          2HG1      VAL  59  -0.985  -7.178  -3.790
  456   3HG1  VAL  59          3HG1      VAL  59  -0.074  -6.438  -2.474
  457   1HG2  VAL  59          1HG2      VAL  59  -2.262  -4.592  -1.399
  458   2HG2  VAL  59          2HG2      VAL  59  -1.206  -5.647  -0.459
  459   3HG2  VAL  59          3HG2      VAL  59  -2.958  -5.778  -0.294
  460    H    MET  60           H        MET  60  -4.250  -8.974  -2.860
  461    HA   MET  60           HA       MET  60  -3.431  -9.464  -5.621
  462   1HB   MET  60          2HB       MET  60  -3.834 -11.823  -5.167
  463   2HB   MET  60          1HB       MET  60  -2.767 -11.132  -3.957
  464   1HG   MET  60          2HG       MET  60  -4.554 -11.047  -2.350
  465   2HG   MET  60          1HG       MET  60  -5.718 -11.565  -3.567
  466   1HE   MET  60          1HE       MET  60  -2.550 -12.611  -1.483
  467   2HE   MET  60          2HE       MET  60  -2.062 -12.932  -3.148
  468   3HE   MET  60          3HE       MET  60  -2.312 -14.272  -2.030
  469    H    GLY  61           H        GLY  61  -6.193  -8.676  -3.830
  470   1HA   GLY  61          2HA       GLY  61  -8.328  -8.206  -4.560
  471   2HA   GLY  61          1HA       GLY  61  -7.824  -8.659  -6.183
  472    H    HIS  62           H        HIS  62  -8.046 -10.411  -3.092
  473    HA   HIS  62           HA       HIS  62  -9.944 -12.280  -4.321
  474   1HB   HIS  62          2HB       HIS  62  -7.484 -13.037  -4.575
  475   2HB   HIS  62          1HB       HIS  62  -7.521 -13.298  -2.836
  476    HD1  HIS  62           1HD      HIS  62  -8.522 -15.463  -2.019
  477    HD2  HIS  62           2HD      HIS  62  -9.293 -14.724  -6.040
  478    HE1  HIS  62           1HE      HIS  62  -9.532 -17.583  -2.922
  479    HE2  HIS  62           2HE      HIS  62  -9.741 -17.189  -5.405
  480    H    GLY  63           H        GLY  63  -9.892 -10.170  -2.157
  481   1HA   GLY  63          2HA       GLY  63 -10.815 -11.888   0.047
  482   2HA   GLY  63          1HA       GLY  63  -9.681 -10.586   0.366
  483    H    ARG  64           H        ARG  64 -11.512 -10.131   1.882
  484    HA   ARG  64           HA       ARG  64 -13.282  -8.152   0.657
  485   1HB   ARG  64          2HB       ARG  64 -15.169  -8.995   2.129
  486   2HB   ARG  64          1HB       ARG  64 -14.769 -10.006   0.749
  487   1HG   ARG  64          2HG       ARG  64 -13.502 -10.603   3.379
  488   2HG   ARG  64          1HG       ARG  64 -15.189 -11.048   3.114
  489   1HD   ARG  64          2HD       ARG  64 -14.667 -12.547   1.431
  490   2HD   ARG  64          1HD       ARG  64 -13.126 -11.769   1.080
  491    HE   ARG  64           HE       ARG  64 -12.825 -12.724   3.615
  492   1HH1  ARG  64          1HH1      ARG  64 -13.833 -14.186   0.599
  493   2HH1  ARG  64          2HH1      ARG  64 -13.050 -15.703   0.923
  494   1HH2  ARG  64          1HH2      ARG  64 -11.765 -14.692   4.031
  495   2HH2  ARG  64          2HH2      ARG  64 -11.839 -15.982   2.863
  496    H    CYS  65           H        CYS  65 -13.909  -6.506   2.086
  497    HA   CYS  65           HA       CYS  65 -12.826  -6.603   4.807
  498   1HB   CYS  65          2HB       CYS  65 -11.226  -5.397   3.219
  499   2HB   CYS  65          1HB       CYS  65 -12.475  -4.170   3.045
  500    HG   CYS  65           HG       CYS  65 -10.223  -4.560   5.435
  501    H    GLU  66           H        GLU  66 -13.856  -4.956   6.213
  502    HA   GLU  66           HA       GLU  66 -16.656  -5.050   5.717
  503   1HB   GLU  66          2HB       GLU  66 -15.057  -3.848   7.966
  504   2HB   GLU  66          1HB       GLU  66 -16.815  -3.819   7.911
  505   1HG   GLU  66          2HG       GLU  66 -15.047  -6.251   7.989
  506   2HG   GLU  66          1HG       GLU  66 -16.090  -5.653   9.278
  507    H    ASN  67           H        ASN  67 -14.281  -2.395   5.703
  508    HA   ASN  67           HA       ASN  67 -16.463  -0.702   4.680
  509   1HB   ASN  67          2HB       ASN  67 -15.420   1.253   5.613
  510   2HB   ASN  67          1HB       ASN  67 -15.578   0.059   6.894
  511   1HD2  ASN  67          1HD2      ASN  67 -13.767  -0.798   7.822
  512   2HD2  ASN  67          2HD2      ASN  67 -12.170  -0.209   7.501
  513    H    LEU  68           H        LEU  68 -16.195   0.324   2.808
  514    HA   LEU  68           HA       LEU  68 -14.010  -0.471   1.129
  515   1HB   LEU  68          2HB       LEU  68 -16.349   1.368   0.703
  516   2HB   LEU  68          1HB       LEU  68 -15.118   1.103  -0.514
  517    HG   LEU  68           HG       LEU  68 -17.020  -0.948   0.616
  518   1HD1  LEU  68          1HD1      LEU  68 -18.010   0.526  -1.027
  519   2HD1  LEU  68          2HD1      LEU  68 -17.785  -1.084  -1.710
  520   3HD1  LEU  68          3HD1      LEU  68 -16.676   0.220  -2.138
  521   1HD2  LEU  68          1HD2      LEU  68 -15.981  -2.531  -0.940
  522   2HD2  LEU  68          2HD2      LEU  68 -14.834  -1.972   0.277
  523   3HD2  LEU  68          3HD2      LEU  68 -14.769  -1.318  -1.360
  524    H    GLY  69           H        GLY  69 -14.491   2.090   3.290
  525   1HA   GLY  69          2HA       GLY  69 -13.102   4.192   2.105
  526   2HA   GLY  69          1HA       GLY  69 -13.181   3.898   3.835
  527    H    LEU  70           H        LEU  70 -11.816   1.601   4.175
  528    HA   LEU  70           HA       LEU  70  -9.102   2.354   3.857
  529   1HB   LEU  70          2HB       LEU  70 -10.485  -0.177   4.716
  530   2HB   LEU  70          1HB       LEU  70  -8.737  -0.108   4.558
  531    HG   LEU  70           HG       LEU  70 -10.361   1.681   6.374
  532   1HD1  LEU  70          1HD1      LEU  70  -9.488   0.322   8.197
  533   2HD1  LEU  70          2HD1      LEU  70  -8.687  -0.738   7.037
  534   3HD1  LEU  70          3HD1      LEU  70 -10.448  -0.662   7.091
  535   1HD2  LEU  70          1HD2      LEU  70  -8.199   2.265   7.326
  536   2HD2  LEU  70          2HD2      LEU  70  -8.260   2.668   5.610
  537   3HD2  LEU  70          3HD2      LEU  70  -7.390   1.231   6.147
  538    H    ALA  71           H        ALA  71 -11.259   0.252   2.086
  539    HA   ALA  71           HA       ALA  71  -9.286  -0.994   0.476
  540   1HB   ALA  71          1HB       ALA  71 -11.512  -1.950   0.872
  541   2HB   ALA  71          2HB       ALA  71 -11.136  -1.815  -0.845
  542   3HB   ALA  71          3HB       ALA  71 -12.225  -0.653  -0.089
  543    H    ALA  72           H        ALA  72 -10.960   2.032   0.257
  544    HA   ALA  72           HA       ALA  72 -10.857   2.499  -2.492
  545   1HB   ALA  72          1HB       ALA  72 -10.672   4.550  -0.287
  546   2HB   ALA  72          2HB       ALA  72 -12.168   3.861  -0.920
  547   3HB   ALA  72          3HB       ALA  72 -11.143   4.851  -1.959
  548    H    MET  73           H        MET  73  -8.467   3.302   0.027
  549    HA   MET  73           HA       MET  73  -6.651   4.463  -1.851
  550   1HB   MET  73          2HB       MET  73  -5.029   4.480  -0.012
  551   2HB   MET  73          1HB       MET  73  -6.583   5.133   0.486
  552   1HG   MET  73          2HG       MET  73  -7.123   3.010   1.565
  553   2HG   MET  73          1HG       MET  73  -5.553   2.369   1.084
  554   1HE   MET  73          1HE       MET  73  -4.984   1.724   3.603
  555   2HE   MET  73          2HE       MET  73  -6.591   2.300   4.044
  556   3HE   MET  73          3HE       MET  73  -5.182   2.846   4.951
  557    H    VAL  74           H        VAL  74  -7.199   1.248  -0.638
  558    HA   VAL  74           HA       VAL  74  -4.761   0.084  -1.492
  559    HB   VAL  74           HB       VAL  74  -7.471  -1.233  -1.196
  560   1HG1  VAL  74          1HG1      VAL  74  -4.705  -2.429  -1.312
  561   2HG1  VAL  74          2HG1      VAL  74  -5.972  -2.593  -2.527
  562   3HG1  VAL  74          3HG1      VAL  74  -6.181  -3.316  -0.932
  563   1HG2  VAL  74          1HG2      VAL  74  -6.686  -1.916   1.023
  564   2HG2  VAL  74          2HG2      VAL  74  -6.746  -0.159   0.877
  565   3HG2  VAL  74          3HG2      VAL  74  -5.198  -0.999   0.779
  566    H    ASP  75           H        ASP  75  -7.859   0.667  -3.053
  567    HA   ASP  75           HA       ASP  75  -7.521  -0.698  -5.441
  568   1HB   ASP  75          2HB       ASP  75  -9.630   0.362  -4.871
  569   2HB   ASP  75          1HB       ASP  75  -8.885   1.957  -4.934
  570    H    LYS  76           H        LYS  76  -6.374   2.511  -4.526
  571    HA   LYS  76           HA       LYS  76  -5.273   3.243  -7.013
  572   1HB   LYS  76          2HB       LYS  76  -4.240   4.072  -4.296
  573   2HB   LYS  76          1HB       LYS  76  -4.051   4.940  -5.812
  574   1HG   LYS  76          2HG       LYS  76  -6.485   5.313  -5.875
  575   2HG   LYS  76          1HG       LYS  76  -6.626   4.500  -4.314
  576   1HD   LYS  76          2HD       LYS  76  -5.059   6.196  -3.370
  577   2HD   LYS  76          1HD       LYS  76  -5.130   7.048  -4.913
  578   1HE   LYS  76          2HE       LYS  76  -7.416   6.513  -3.022
  579   2HE   LYS  76          1HE       LYS  76  -6.665   8.069  -3.362
  580   1HZ   LYS  76          1HZ       LYS  76  -8.272   6.417  -5.233
  581   2HZ   LYS  76          2HZ       LYS  76  -7.421   7.807  -5.698
  582   3HZ   LYS  76          3HZ       LYS  76  -8.692   7.923  -4.579
  583    H    ILE  77           H        ILE  77  -3.994   1.483  -4.259
  584    HA   ILE  77           HA       ILE  77  -1.328   1.230  -5.147
  585    HB   ILE  77           HB       ILE  77  -2.930  -0.579  -3.329
  586   1HG1  ILE  77          2HG1      ILE  77  -1.010   1.669  -2.673
  587   2HG1  ILE  77          1HG1      ILE  77  -2.765   1.771  -2.565
  588   1HG2  ILE  77          1HG2      ILE  77  -0.768  -1.369  -2.493
  589   2HG2  ILE  77          2HG2      ILE  77   0.051  -0.398  -3.717
  590   3HG2  ILE  77          3HG2      ILE  77  -0.986  -1.738  -4.204
  591   1HD1  ILE  77          1HD1      ILE  77  -2.753   0.036  -0.845
  592   2HD1  ILE  77          2HD1      ILE  77  -1.778   1.430  -0.380
  593   3HD1  ILE  77          3HD1      ILE  77  -0.994  -0.046  -0.943
  594    H    VAL  78           H        VAL  78  -4.139  -0.924  -5.425
  595    HA   VAL  78           HA       VAL  78  -2.872  -2.985  -6.846
  596    HB   VAL  78           HB       VAL  78  -5.780  -2.149  -6.956
  597   1HG1  VAL  78          1HG1      VAL  78  -5.178  -3.618  -8.812
  598   2HG1  VAL  78          2HG1      VAL  78  -6.216  -4.453  -7.656
  599   3HG1  VAL  78          3HG1      VAL  78  -4.482  -4.779  -7.682
  600   1HG2  VAL  78          1HG2      VAL  78  -4.377  -4.165  -5.197
  601   2HG2  VAL  78          2HG2      VAL  78  -6.118  -3.892  -5.263
  602   3HG2  VAL  78          3HG2      VAL  78  -5.048  -2.616  -4.682
  603    H    ALA  79           H        ALA  79  -4.456  -0.025  -7.949
  604    HA   ALA  79           HA       ALA  79  -4.515  -0.563 -10.690
  605   1HB   ALA  79          1HB       ALA  79  -4.683   1.848 -11.003
  606   2HB   ALA  79          2HB       ALA  79  -4.139   2.110  -9.344
  607   3HB   ALA  79          3HB       ALA  79  -5.682   1.315  -9.652
  608    H    HIS  80           H        HIS  80  -1.966   0.974  -8.740
  609    HA   HIS  80           HA       HIS  80  -0.189   1.327 -10.949
  610   1HB   HIS  80          2HB       HIS  80  -0.079   2.662  -8.835
  611   2HB   HIS  80          1HB       HIS  80   0.509   1.226  -8.007
  612    HD1  HIS  80           1HD      HIS  80   2.989   1.012  -7.912
  613    HD2  HIS  80           2HD      HIS  80   1.757   3.437 -11.048
  614    HE1  HIS  80           1HE      HIS  80   5.098   1.934  -8.921
  615    HE2  HIS  80           2HE      HIS  80   4.332   3.301 -10.897
  616    H    ASN  81           H        ASN  81  -0.685  -1.171  -8.541
  617    HA   ASN  81           HA       ASN  81   1.639  -2.691  -9.043
  618   1HB   ASN  81          2HB       ASN  81   0.237  -2.964  -7.029
  619   2HB   ASN  81          1HB       ASN  81  -1.063  -3.609  -8.026
  620   1HD2  ASN  81          1HD2      ASN  81  -1.118  -5.575  -6.999
  621   2HD2  ASN  81          2HD2      ASN  81   0.142  -6.747  -7.146
  622    H    LEU  82           H        LEU  82  -1.633  -2.865 -10.385
  623    HA   LEU  82           HA       LEU  82  -1.318  -5.148 -11.958
  624   1HB   LEU  82          2HB       LEU  82  -3.402  -3.683 -11.437
  625   2HB   LEU  82          1HB       LEU  82  -2.923  -2.769 -12.849
  626    HG   LEU  82           HG       LEU  82  -3.435  -5.733 -12.975
  627   1HD1  LEU  82          1HD1      LEU  82  -5.448  -4.694 -12.111
  628   2HD1  LEU  82          2HD1      LEU  82  -5.684  -5.188 -13.788
  629   3HD1  LEU  82          3HD1      LEU  82  -5.402  -3.490 -13.400
  630   1HD2  LEU  82          1HD2      LEU  82  -3.503  -3.575 -15.084
  631   2HD2  LEU  82          2HD2      LEU  82  -3.805  -5.294 -15.340
  632   3HD2  LEU  82          3HD2      LEU  82  -2.202  -4.743 -14.852
  633    H    SER  83           H        SER  83  -0.361  -1.827 -12.501
  634    HA   SER  83           HA       SER  83   0.228  -2.009 -15.245
  635   1HB   SER  83          2HB       SER  83  -0.033   0.132 -14.088
  636   2HB   SER  83          1HB       SER  83   1.406  -0.195 -13.126
  637    HG   SER  83           HG       SER  83   2.268   0.941 -14.706
  638    H    LYS  84           H        LYS  84   2.389  -2.341 -12.396
  639    HA   LYS  84           HA       LYS  84   4.680  -2.838 -14.009
  640   1HB   LYS  84          2HB       LYS  84   5.828  -3.427 -11.958
  641   2HB   LYS  84          1HB       LYS  84   4.854  -1.990 -11.701
  642   1HG   LYS  84          2HG       LYS  84   3.130  -3.395 -10.633
  643   2HG   LYS  84          1HG       LYS  84   4.195  -4.789 -10.822
  644   1HD   LYS  84          2HD       LYS  84   4.900  -2.282  -9.300
  645   2HD   LYS  84          1HD       LYS  84   4.285  -3.761  -8.563
  646   1HE   LYS  84          2HE       LYS  84   6.828  -3.561 -10.178
  647   2HE   LYS  84          1HE       LYS  84   6.749  -3.533  -8.417
  648   1HZ   LYS  84          1HZ       LYS  84   5.589  -5.763  -8.630
  649   2HZ   LYS  84          2HZ       LYS  84   7.245  -5.731  -8.985
  650   3HZ   LYS  84          3HZ       LYS  84   6.115  -5.780 -10.243
  651    H    VAL  85           H        VAL  85   2.114  -4.830 -12.866
  652    HA   VAL  85           HA       VAL  85   3.503  -7.321 -13.308
  653    HB   VAL  85           HB       VAL  85   0.551  -6.758 -12.912
  654   1HG1  VAL  85          1HG1      VAL  85   0.887  -8.854 -14.142
  655   2HG1  VAL  85          2HG1      VAL  85   0.317  -9.170 -12.504
  656   3HG1  VAL  85          3HG1      VAL  85   2.018  -9.407 -12.907
  657   1HG2  VAL  85          1HG2      VAL  85   1.916  -6.208 -10.965
  658   2HG2  VAL  85          2HG2      VAL  85   2.652  -7.811 -11.011
  659   3HG2  VAL  85          3HG2      VAL  85   0.934  -7.638 -10.653
  660    H    ARG  86           H        ARG  86   1.429  -5.169 -15.148
  661    HA   ARG  86           HA       ARG  86   1.020  -7.057 -17.287
  662   1HB   ARG  86          2HB       ARG  86  -0.459  -5.547 -18.162
  663   2HB   ARG  86          1HB       ARG  86  -0.442  -4.973 -16.505
  664   1HG   ARG  86          2HG       ARG  86   1.161  -3.240 -17.111
  665   2HG   ARG  86          1HG       ARG  86   1.165  -3.822 -18.777
  666   1HD   ARG  86          2HD       ARG  86  -1.375  -3.437 -18.697
  667   2HD   ARG  86          1HD       ARG  86  -1.041  -2.478 -17.253
  668    HE   ARG  86           HE       ARG  86   0.396  -1.863 -19.733
  669   1HH1  ARG  86          1HH1      ARG  86  -1.954  -0.922 -17.291
  670   2HH1  ARG  86          2HH1      ARG  86  -2.089   0.709 -17.886
  671   1HH2  ARG  86          1HH2      ARG  86   0.223   0.251 -20.495
  672   2HH2  ARG  86          2HH2      ARG  86  -0.842   1.379 -19.710
  673    H    LEU  87           H        LEU  87   3.300  -4.557 -16.503
  674    HA   LEU  87           HA       LEU  87   4.385  -4.205 -19.095
  675   1HB   LEU  87          2HB       LEU  87   5.559  -3.728 -16.361
  676   2HB   LEU  87          1HB       LEU  87   6.329  -3.247 -17.857
  677    HG   LEU  87           HG       LEU  87   3.678  -2.232 -16.840
  678   1HD1  LEU  87          1HD1      LEU  87   6.364  -0.882 -17.047
  679   2HD1  LEU  87          2HD1      LEU  87   5.565  -1.384 -15.557
  680   3HD1  LEU  87          3HD1      LEU  87   4.856  -0.113 -16.553
  681   1HD2  LEU  87          1HD2      LEU  87   3.739  -2.335 -19.279
  682   2HD2  LEU  87          2HD2      LEU  87   5.262  -1.446 -19.286
  683   3HD2  LEU  87          3HD2      LEU  87   3.788  -0.666 -18.712
  684    H    GLU  88           H        GLU  88   5.281  -6.230 -16.343
  685    HA   GLU  88           HA       GLU  88   7.229  -7.662 -17.953
  686   1HB   GLU  88          2HB       GLU  88   6.418  -7.806 -15.079
  687   2HB   GLU  88          1HB       GLU  88   7.429  -9.043 -15.818
  688   1HG   GLU  88          2HG       GLU  88   8.034  -6.110 -15.564
  689   2HG   GLU  88          1HG       GLU  88   8.827  -7.450 -14.759
  690    H    HIS  89           H        HIS  89   6.983 -10.245 -17.343
  691    HA   HIS  89           HA       HIS  89   4.400 -10.877 -18.530
  692   1HB   HIS  89          2HB       HIS  89   6.961 -12.431 -18.328
  693   2HB   HIS  89          1HB       HIS  89   5.444 -13.200 -18.800
  694    HD1  HIS  89           1HD      HIS  89   4.183 -11.553 -20.782
  695    HD2  HIS  89           2HD      HIS  89   8.331 -11.699 -20.525
  696    HE1  HIS  89           1HE      HIS  89   5.031 -10.803 -23.033
  697    HE2  HIS  89           2HE      HIS  89   7.537 -10.705 -22.781
  698    H    HIS  90           H        HIS  90   3.392 -10.358 -16.509
  699    HA   HIS  90           HA       HIS  90   2.132 -10.955 -14.741
  700   1HB   HIS  90          2HB       HIS  90   1.596 -12.632 -16.704
  701   2HB   HIS  90          1HB       HIS  90   2.238 -13.815 -15.570
  702    HD1  HIS  90           1HD      HIS  90  -0.857 -12.371 -16.553
  703    HD2  HIS  90           2HD      HIS  90   0.809 -13.468 -12.902
  704    HE1  HIS  90           1HE      HIS  90  -2.789 -12.600 -14.964
  705    HE2  HIS  90           2HE      HIS  90  -1.779 -13.428 -12.815
  706    H    HIS  91           H        HIS  91   3.709 -14.115 -14.817
  707    HA   HIS  91           HA       HIS  91   4.726 -15.347 -13.224
  708   1HB   HIS  91          2HB       HIS  91   5.424 -12.649 -12.075
  709   2HB   HIS  91          1HB       HIS  91   5.894 -14.156 -11.295
  710    HD1  HIS  91           1HD      HIS  91   7.312 -15.824 -13.039
  711    HD2  HIS  91           2HD      HIS  91   7.291 -11.731 -13.794
  712    HE1  HIS  91           1HE      HIS  91   9.302 -15.395 -14.510
  713    HE2  HIS  91           2HE      HIS  91   9.399 -12.891 -14.758
  714    H    HIS  92           H        HIS  92   4.493 -16.049 -10.923
  715    HA   HIS  92           HA       HIS  92   3.118 -16.769  -9.263
  716   1HB   HIS  92          2HB       HIS  92   1.846 -14.035  -9.585
  717   2HB   HIS  92          1HB       HIS  92   1.443 -15.173  -8.306
  718    HD1  HIS  92           1HD      HIS  92   3.855 -12.537  -9.228
  719    HD2  HIS  92           2HD      HIS  92   3.573 -15.597  -6.415
  720    HE1  HIS  92           1HE      HIS  92   5.585 -12.020  -7.479
  721    HE2  HIS  92           2HE      HIS  92   5.342 -13.825  -5.739
  722    H    HIS  93           H        HIS  93   2.455 -18.286 -10.943
  723    HA   HIS  93           HA       HIS  93  -0.109 -17.670 -12.229
  724   1HB   HIS  93          2HB       HIS  93   1.849 -18.469 -13.591
  725   2HB   HIS  93          1HB       HIS  93   1.724 -20.016 -12.763
  726    HD1  HIS  93           1HD      HIS  93   0.857 -21.567 -14.497
  727    HD2  HIS  93           2HD      HIS  93  -1.197 -17.948 -14.460
  728    HE1  HIS  93           1HE      HIS  93  -1.024 -21.834 -16.149
  729    HE2  HIS  93           2HE      HIS  93  -2.149 -19.578 -16.235
  730    H    HIS  94           H        HIS  94   1.129 -19.409  -9.597
  731    HA   HIS  94           HA       HIS  94  -1.480 -20.660  -9.214
  732   1HB   HIS  94          2HB       HIS  94   0.164 -22.331 -10.249
  733   2HB   HIS  94          1HB       HIS  94   1.050 -22.241  -8.732
  734    HD1  HIS  94           1HD      HIS  94  -1.614 -24.072 -10.362
  735    HD2  HIS  94           2HD      HIS  94  -0.634 -23.069  -6.441
  736    HE1  HIS  94           1HE      HIS  94  -2.938 -25.640  -8.904
  737    HE2  HIS  94           2HE      HIS  94  -2.390 -24.966  -6.538
  Start of MODEL   17
    1   1H    MET   1          1HT       MET   1  -0.072  18.986   7.150
    2   2H    MET   1          2HT       MET   1  -0.903  17.509   7.191
    3   3H    MET   1          3HT       MET   1  -1.424  18.743   6.155
    4    HA   MET   1           HA       MET   1  -0.234  16.972   4.990
    5   1HB   MET   1          2HB       MET   1  -0.249  19.359   4.205
    6   2HB   MET   1          1HB       MET   1   1.283  19.593   5.033
    7   1HG   MET   1          2HG       MET   1   2.338  17.943   3.604
    8   2HG   MET   1          1HG       MET   1   0.800  17.627   2.805
    9   1HE   MET   1          1HE       MET   1   0.134  21.022   0.966
   10   2HE   MET   1          2HE       MET   1  -0.425  20.570   2.577
   11   3HE   MET   1          3HE       MET   1  -0.460  19.390   1.264
   12    H    TYR   2           H        TYR   2   2.050  16.201   4.476
   13    HA   TYR   2           HA       TYR   2   3.628  16.099   6.955
   14   1HB   TYR   2          2HB       TYR   2   3.114  13.827   5.025
   15   2HB   TYR   2          1HB       TYR   2   4.142  13.742   6.452
   16    HD1  TYR   2           2HD      TYR   2   3.083  14.054   8.721
   17    HD2  TYR   2           1HD      TYR   2   0.775  13.483   5.194
   18    HE1  TYR   2           2HE      TYR   2   1.143  13.449  10.095
   19    HE2  TYR   2           1HE      TYR   2  -1.179  12.881   6.565
   20    HH   TYR   2           HH       TYR   2  -1.693  12.055   8.793
   21    H    THR   3           H        THR   3   5.646  16.755   6.739
   22    HA   THR   3           HA       THR   3   6.784  17.292   4.154
   23    HB   THR   3           HB       THR   3   8.799  17.932   5.657
   24    HG1  THR   3           1HG      THR   3   8.205  18.298   7.843
   25   1HG2  THR   3          1HG2      THR   3   7.772  20.088   6.210
   26   2HG2  THR   3          2HG2      THR   3   6.173  19.406   5.907
   27   3HG2  THR   3          3HG2      THR   3   7.332  19.567   4.586
   28    H    ALA   4           H        ALA   4   9.313  16.695   4.123
   29    HA   ALA   4           HA       ALA   4   9.408  13.987   3.485
   30   1HB   ALA   4          1HB       ALA   4  10.938  15.667   2.568
   31   2HB   ALA   4          2HB       ALA   4  11.801  14.272   3.213
   32   3HB   ALA   4          3HB       ALA   4  11.744  15.779   4.131
   33    H    GLU   5           H        GLU   5  10.663  15.635   6.378
   34    HA   GLU   5           HA       GLU   5  11.664  13.305   7.618
   35   1HB   GLU   5          2HB       GLU   5  10.695  15.838   8.944
   36   2HB   GLU   5          1HB       GLU   5  11.781  14.646   9.632
   37   1HG   GLU   5          2HG       GLU   5  13.327  16.134   8.965
   38   2HG   GLU   5          1HG       GLU   5  13.182  15.240   7.457
   39    H    GLN   6           H        GLN   6   8.574  14.980   7.781
   40    HA   GLN   6           HA       GLN   6   7.551  13.451   9.939
   41   1HB   GLN   6          2HB       GLN   6   6.828  15.773   9.233
   42   2HB   GLN   6          1HB       GLN   6   5.932  15.004   7.931
   43   1HG   GLN   6          2HG       GLN   6   4.446  13.974   9.397
   44   2HG   GLN   6          1HG       GLN   6   5.504  14.216  10.789
   45   1HE2  GLN   6          1HE2      GLN   6   5.623  16.254  11.735
   46   2HE2  GLN   6          2HE2      GLN   6   4.427  17.469  11.457
   47    H    LYS   7           H        LYS   7   7.209  13.210   6.412
   48    HA   LYS   7           HA       LYS   7   5.362  11.054   6.488
   49   1HB   LYS   7          2HB       LYS   7   5.792  10.748   4.130
   50   2HB   LYS   7          1HB       LYS   7   5.632  12.458   4.486
   51   1HG   LYS   7          2HG       LYS   7   7.403  12.476   3.060
   52   2HG   LYS   7          1HG       LYS   7   8.248  12.363   4.601
   53   1HD   LYS   7          2HD       LYS   7   8.354   9.898   4.295
   54   2HD   LYS   7          1HD       LYS   7   7.639  10.104   2.695
   55   1HE   LYS   7          2HE       LYS   7  10.194  11.432   3.575
   56   2HE   LYS   7          1HE       LYS   7  10.139   9.885   2.734
   57   1HZ   LYS   7          1HZ       LYS   7   9.203  10.920   0.829
   58   2HZ   LYS   7          2HZ       LYS   7  10.546  11.845   1.290
   59   3HZ   LYS   7          3HZ       LYS   7   8.980  12.394   1.643
   60    H    ALA   8           H        ALA   8   8.831  11.273   6.620
   61    HA   ALA   8           HA       ALA   8   9.497   8.591   6.162
   62   1HB   ALA   8          1HB       ALA   8  11.568   9.063   7.347
   63   2HB   ALA   8          2HB       ALA   8  10.874  10.546   8.002
   64   3HB   ALA   8          3HB       ALA   8  11.153  10.395   6.267
   65    H    ARG   9           H        ARG   9   8.351  10.230   9.074
   66    HA   ARG   9           HA       ARG   9   8.799   8.137  10.902
   67   1HB   ARG   9          2HB       ARG   9   6.467  10.055  10.969
   68   2HB   ARG   9          1HB       ARG   9   7.192   9.215  12.331
   69   1HG   ARG   9          2HG       ARG   9   9.249  10.529  12.022
   70   2HG   ARG   9          1HG       ARG   9   8.469  11.399  10.697
   71   1HD   ARG   9          2HD       ARG   9   7.758  11.418  13.618
   72   2HD   ARG   9          1HD       ARG   9   8.231  12.778  12.600
   73    HE   ARG   9           HE       ARG   9   5.929  11.767  11.475
   74   1HH1  ARG   9          1HH1      ARG   9   6.863  13.172  14.536
   75   2HH1  ARG   9          2HH1      ARG   9   5.266  13.747  14.911
   76   1HH2  ARG   9          1HH2      ARG   9   3.812  12.501  11.969
   77   2HH2  ARG   9          2HH2      ARG   9   3.534  13.357  13.454
   78    H    ILE  10           H        ILE  10   6.334   8.712   8.523
   79    HA   ILE  10           HA       ILE  10   4.529   6.684   9.406
   80    HB   ILE  10           HB       ILE  10   4.763   7.956   6.669
   81   1HG1  ILE  10          2HG1      ILE  10   2.967   8.700   8.990
   82   2HG1  ILE  10          1HG1      ILE  10   4.401   9.598   8.503
   83   1HG2  ILE  10          1HG2      ILE  10   2.432   7.254   6.383
   84   2HG2  ILE  10          2HG2      ILE  10   2.479   6.462   7.959
   85   3HG2  ILE  10          3HG2      ILE  10   3.496   5.871   6.645
   86   1HD1  ILE  10          1HD1      ILE  10   2.398  10.673   7.683
   87   2HD1  ILE  10          2HD1      ILE  10   1.912   9.190   6.859
   88   3HD1  ILE  10          3HD1      ILE  10   3.355  10.057   6.335
   89    H    LYS  11           H        LYS  11   7.066   6.888   6.918
   90    HA   LYS  11           HA       LYS  11   6.612   4.281   5.922
   91   1HB   LYS  11          2HB       LYS  11   8.553   4.548   4.588
   92   2HB   LYS  11          1HB       LYS  11   7.777   6.115   4.667
   93   1HG   LYS  11          2HG       LYS  11   9.904   6.783   4.975
   94   2HG   LYS  11          1HG       LYS  11   9.528   6.411   6.658
   95   1HD   LYS  11          2HD       LYS  11  10.605   4.289   6.508
   96   2HD   LYS  11          1HD       LYS  11  10.765   4.427   4.755
   97   1HE   LYS  11          2HE       LYS  11  12.288   6.313   5.039
   98   2HE   LYS  11          1HE       LYS  11  12.111   6.200   6.789
   99   1HZ   LYS  11          1HZ       LYS  11  14.148   5.151   5.998
  100   2HZ   LYS  11          2HZ       LYS  11  13.246   4.074   5.044
  101   3HZ   LYS  11          3HZ       LYS  11  13.121   4.021   6.737
  102    H    TRP  12           H        TRP  12   8.716   5.537   8.464
  103    HA   TRP  12           HA       TRP  12  10.066   3.165   9.109
  104   1HB   TRP  12          2HB       TRP  12   9.226   5.553  10.729
  105   2HB   TRP  12          1HB       TRP  12   9.916   4.154  11.529
  106    HD1  TRP  12           HD       TRP  12  10.968   6.409   8.521
  107    HE1  TRP  12           1HE      TRP  12  13.500   6.849   8.739
  108    HE3  TRP  12           3HE      TRP  12  11.877   3.673  12.728
  109    HZ2  TRP  12           2HZ      TRP  12  15.602   6.117  10.487
  110    HZ3  TRP  12           3HZ      TRP  12  14.176   3.594  13.620
  111    HH2  TRP  12           HH       TRP  12  15.996   4.793  12.517
  112    H    ALA  13           H        ALA  13   6.825   4.285   9.918
  113    HA   ALA  13           HA       ALA  13   6.357   2.233  11.865
  114   1HB   ALA  13          1HB       ALA  13   4.416   4.134  10.556
  115   2HB   ALA  13          2HB       ALA  13   5.296   4.427  12.055
  116   3HB   ALA  13          3HB       ALA  13   4.095   3.138  11.977
  117    H    CYS  14           H        CYS  14   5.452   2.772   8.484
  118    HA   CYS  14           HA       CYS  14   3.570   0.669   8.374
  119   1HB   CYS  14          2HB       CYS  14   3.678   0.924   5.944
  120   2HB   CYS  14          1HB       CYS  14   3.559   2.483   6.748
  121    HG   CYS  14           HG       CYS  14   6.709   2.079   6.455
  122    H    ARG  15           H        ARG  15   7.040   0.696   8.058
  123    HA   ARG  15           HA       ARG  15   7.008  -1.983   6.918
  124   1HB   ARG  15          2HB       ARG  15   8.584  -0.283   6.013
  125   2HB   ARG  15          1HB       ARG  15   9.404  -0.267   7.571
  126   1HG   ARG  15          2HG       ARG  15  10.030  -2.570   7.326
  127   2HG   ARG  15          1HG       ARG  15   9.081  -2.710   5.846
  128   1HD   ARG  15          2HD       ARG  15  11.385  -2.469   5.257
  129   2HD   ARG  15          1HD       ARG  15  10.532  -0.991   4.816
  130    HE   ARG  15           HE       ARG  15  11.670  -0.759   7.410
  131   1HH1  ARG  15          1HH1      ARG  15  12.423  -0.686   3.990
  132   2HH1  ARG  15          2HH1      ARG  15  13.896   0.220   4.203
  133   1HH2  ARG  15          1HH2      ARG  15  13.589   0.459   7.699
  134   2HH2  ARG  15          2HH2      ARG  15  14.553   0.889   6.320
  135    H    ARG  16           H        ARG  16   6.037  -2.891   8.783
  136    HA   ARG  16           HA       ARG  16   8.087  -3.822  10.648
  137   1HB   ARG  16          2HB       ARG  16   5.385  -2.714  11.385
  138   2HB   ARG  16          1HB       ARG  16   6.195  -3.885  12.414
  139   1HG   ARG  16          2HG       ARG  16   7.324  -1.210  11.608
  140   2HG   ARG  16          1HG       ARG  16   6.556  -1.577  13.155
  141   1HD   ARG  16          2HD       ARG  16   8.272  -3.280  13.589
  142   2HD   ARG  16          1HD       ARG  16   9.043  -2.885  12.054
  143    HE   ARG  16           HE       ARG  16   8.735  -0.739  14.020
  144   1HH1  ARG  16          1HH1      ARG  16  10.805  -3.076  12.433
  145   2HH1  ARG  16          2HH1      ARG  16  12.281  -2.274  12.887
  146   1HH2  ARG  16          1HH2      ARG  16  10.681   0.291  14.671
  147   2HH2  ARG  16          2HH2      ARG  16  12.205  -0.370  14.164
  148    H    GLY  17           H        GLY  17   7.348  -5.874  11.746
  149   1HA   GLY  17          2HA       GLY  17   6.137  -7.878  11.758
  150   2HA   GLY  17          1HA       GLY  17   5.244  -7.328  10.346
  151    H    MET  18           H        MET  18   6.839  -6.960   8.388
  152    HA   MET  18           HA       MET  18   8.991  -8.859   8.243
  153   1HB   MET  18          2HB       MET  18   8.024 -10.126   6.352
  154   2HB   MET  18          1HB       MET  18   7.172 -10.385   7.865
  155   1HG   MET  18          2HG       MET  18   5.454  -8.763   7.104
  156   2HG   MET  18          1HG       MET  18   6.295  -8.665   5.558
  157   1HE   MET  18          1HE       MET  18   3.162  -9.503   5.972
  158   2HE   MET  18          2HE       MET  18   3.055 -10.788   4.767
  159   3HE   MET  18          3HE       MET  18   3.940  -9.310   4.400
  160    H    LEU  19           H        LEU  19  10.425  -8.405   6.662
  161    HA   LEU  19           HA       LEU  19  10.354  -5.807   5.525
  162   1HB   LEU  19          2HB       LEU  19  12.205  -8.146   5.144
  163   2HB   LEU  19          1HB       LEU  19  12.466  -6.583   4.408
  164    HG   LEU  19           HG       LEU  19  12.361  -7.119   7.376
  165   1HD1  LEU  19          1HD1      LEU  19  14.757  -6.662   7.329
  166   2HD1  LEU  19          2HD1      LEU  19  14.697  -6.492   5.576
  167   3HD1  LEU  19          3HD1      LEU  19  14.356  -8.052   6.322
  168   1HD2  LEU  19          1HD2      LEU  19  13.018  -4.597   5.855
  169   2HD2  LEU  19          2HD2      LEU  19  13.126  -4.806   7.603
  170   3HD2  LEU  19          3HD2      LEU  19  11.557  -4.884   6.801
  171    H    GLU  20           H        GLU  20   9.332  -8.879   4.401
  172    HA   GLU  20           HA       GLU  20   9.573  -8.583   1.641
  173   1HB   GLU  20          2HB       GLU  20   7.535 -10.064   3.292
  174   2HB   GLU  20          1HB       GLU  20   7.616 -10.178   1.538
  175   1HG   GLU  20          2HG       GLU  20   9.806 -11.119   1.629
  176   2HG   GLU  20          1HG       GLU  20   9.918 -10.820   3.362
  177    H    LEU  21           H        LEU  21   7.427  -6.938   3.800
  178    HA   LEU  21           HA       LEU  21   5.580  -6.213   1.688
  179   1HB   LEU  21          2HB       LEU  21   5.772  -5.445   4.590
  180   2HB   LEU  21          1HB       LEU  21   4.629  -4.681   3.501
  181    HG   LEU  21           HG       LEU  21   4.717  -7.595   4.282
  182   1HD1  LEU  21          1HD1      LEU  21   2.723  -5.395   4.791
  183   2HD1  LEU  21          2HD1      LEU  21   3.730  -6.217   5.984
  184   3HD1  LEU  21          3HD1      LEU  21   2.450  -7.101   5.152
  185   1HD2  LEU  21          1HD2      LEU  21   4.129  -7.440   1.939
  186   2HD2  LEU  21          2HD2      LEU  21   2.931  -6.195   2.295
  187   3HD2  LEU  21          3HD2      LEU  21   2.699  -7.839   2.892
  188    H    ASP  22           H        ASP  22   8.570  -5.084   2.806
  189    HA   ASP  22           HA       ASP  22   8.357  -2.307   2.551
  190   1HB   ASP  22          2HB       ASP  22  10.330  -3.245   3.525
  191   2HB   ASP  22          1HB       ASP  22  10.674  -4.191   2.086
  192    H    VAL  23           H        VAL  23   8.946  -4.797   0.145
  193    HA   VAL  23           HA       VAL  23   9.633  -3.119  -2.006
  194    HB   VAL  23           HB       VAL  23   8.356  -5.854  -2.162
  195   1HG1  VAL  23          1HG1      VAL  23  10.120  -4.384  -4.118
  196   2HG1  VAL  23          2HG1      VAL  23   8.390  -4.672  -4.297
  197   3HG1  VAL  23          3HG1      VAL  23   9.514  -6.030  -4.306
  198   1HG2  VAL  23          1HG2      VAL  23  11.263  -5.095  -1.926
  199   2HG2  VAL  23          2HG2      VAL  23  10.657  -6.720  -2.244
  200   3HG2  VAL  23          3HG2      VAL  23  10.295  -5.928  -0.710
  201    H    VAL  24           H        VAL  24   6.517  -4.145  -0.750
  202    HA   VAL  24           HA       VAL  24   5.199  -3.053  -3.135
  203    HB   VAL  24           HB       VAL  24   3.165  -4.225  -2.359
  204   1HG1  VAL  24          1HG1      VAL  24   3.950  -6.502  -2.866
  205   2HG1  VAL  24          2HG1      VAL  24   5.616  -5.965  -2.648
  206   3HG1  VAL  24          3HG1      VAL  24   4.641  -5.303  -3.960
  207   1HG2  VAL  24          1HG2      VAL  24   3.613  -4.255   0.029
  208   2HG2  VAL  24          2HG2      VAL  24   4.986  -5.333  -0.225
  209   3HG2  VAL  24          3HG2      VAL  24   3.350  -5.894  -0.569
  210    H    ILE  25           H        ILE  25   6.197  -1.818  -0.373
  211    HA   ILE  25           HA       ILE  25   3.766  -0.194  -0.027
  212    HB   ILE  25           HB       ILE  25   5.858  -0.910   2.029
  213   1HG1  ILE  25          2HG1      ILE  25   4.158  -2.633   1.623
  214   2HG1  ILE  25          1HG1      ILE  25   3.979  -1.926   3.225
  215   1HG2  ILE  25          1HG2      ILE  25   3.528   0.984   2.301
  216   2HG2  ILE  25          2HG2      ILE  25   5.235   1.430   2.285
  217   3HG2  ILE  25          3HG2      ILE  25   4.590   0.460   3.609
  218   1HD1  ILE  25          1HD1      ILE  25   1.822  -2.263   2.187
  219   2HD1  ILE  25          2HD1      ILE  25   2.313  -1.290   0.801
  220   3HD1  ILE  25          3HD1      ILE  25   2.139  -0.539   2.387
  221    H    MET  26           H        MET  26   7.327  -0.071   0.192
  222    HA   MET  26           HA       MET  26   7.534   2.629   0.778
  223   1HB   MET  26          2HB       MET  26   9.372   1.056   1.042
  224   2HB   MET  26          1HB       MET  26   9.508   0.892  -0.703
  225   1HG   MET  26          2HG       MET  26  10.076   3.295  -0.841
  226   2HG   MET  26          1HG       MET  26  10.043   3.368   0.921
  227   1HE   MET  26          1HE       MET  26  13.870   3.591   0.137
  228   2HE   MET  26          2HE       MET  26  12.518   4.325   1.001
  229   3HE   MET  26          3HE       MET  26  12.539   4.320  -0.763
  230    HA   PRO  27           HA       PRO  27   8.233   3.792  -3.804
  231   1HB   PRO  27          2HB       PRO  27   7.600   2.058  -5.775
  232   2HB   PRO  27          1HB       PRO  27   9.183   2.065  -4.991
  233   1HG   PRO  27          2HG       PRO  27   6.835   0.272  -4.512
  234   2HG   PRO  27          1HG       PRO  27   8.554  -0.146  -4.630
  235   1HD   PRO  27          2HD       PRO  27   7.250   0.117  -2.259
  236   2HD   PRO  27          1HD       PRO  27   8.980   0.467  -2.453
  237    H    PHE  28           H        PHE  28   5.476   1.647  -3.302
  238    HA   PHE  28           HA       PHE  28   3.738   3.056  -5.058
  239   1HB   PHE  28          2HB       PHE  28   3.103   1.126  -2.819
  240   2HB   PHE  28          1HB       PHE  28   1.936   1.721  -3.995
  241    HD1  PHE  28           1HD      PHE  28   4.188   1.648  -6.244
  242    HD2  PHE  28           2HD      PHE  28   2.591  -1.182  -3.496
  243    HE1  PHE  28           1HE      PHE  28   4.804  -0.180  -7.770
  244    HE2  PHE  28           2HE      PHE  28   3.209  -3.013  -5.015
  245    HZ   PHE  28           HZ       PHE  28   4.321  -2.513  -7.155
  246    H    PHE  29           H        PHE  29   4.425   3.206  -1.606
  247    HA   PHE  29           HA       PHE  29   2.436   4.979  -0.791
  248   1HB   PHE  29          2HB       PHE  29   3.855   3.928   0.846
  249   2HB   PHE  29          1HB       PHE  29   5.294   4.659   0.146
  250    HD1  PHE  29           2HD      PHE  29   2.102   5.523   1.849
  251    HD2  PHE  29           1HD      PHE  29   6.111   6.666   0.988
  252    HE1  PHE  29           2HE      PHE  29   1.897   7.408   3.416
  253    HE2  PHE  29           1HE      PHE  29   5.913   8.556   2.556
  254    HZ   PHE  29           HZ       PHE  29   3.805   8.928   3.770
  255    H    GLU  30           H        GLU  30   5.559   5.601  -2.307
  256    HA   GLU  30           HA       GLU  30   5.642   8.377  -2.101
  257   1HB   GLU  30          2HB       GLU  30   6.614   6.765  -4.465
  258   2HB   GLU  30          1HB       GLU  30   7.221   8.319  -3.921
  259   1HG   GLU  30          2HG       GLU  30   7.827   7.129  -1.762
  260   2HG   GLU  30          1HG       GLU  30   7.567   5.637  -2.656
  261    H    GLU  31           H        GLU  31   4.158   6.308  -4.512
  262    HA   GLU  31           HA       GLU  31   3.232   8.460  -6.155
  263   1HB   GLU  31          2HB       GLU  31   2.469   5.541  -6.061
  264   2HB   GLU  31          1HB       GLU  31   1.896   6.675  -7.278
  265   1HG   GLU  31          2HG       GLU  31   4.231   7.065  -7.964
  266   2HG   GLU  31          1HG       GLU  31   4.751   5.852  -6.794
  267    H    CYS  32           H        CYS  32   1.627   6.234  -3.881
  268    HA   CYS  32           HA       CYS  32  -0.956   7.252  -4.253
  269   1HB   CYS  32          2HB       CYS  32   0.234   5.867  -1.841
  270   2HB   CYS  32          1HB       CYS  32  -1.488   6.130  -2.104
  271    HG   CYS  32           HG       CYS  32  -0.562   4.708  -4.805
  272    H    PHE  33           H        PHE  33   1.488   8.070  -1.799
  273    HA   PHE  33           HA       PHE  33  -0.076   9.855  -0.318
  274   1HB   PHE  33          2HB       PHE  33   2.040   8.994   0.520
  275   2HB   PHE  33          1HB       PHE  33   2.917   9.807  -0.768
  276    HD1  PHE  33           2HD      PHE  33   0.858  10.399   2.251
  277    HD2  PHE  33           1HD      PHE  33   3.666  12.018  -0.506
  278    HE1  PHE  33           2HE      PHE  33   1.149  12.360   3.706
  279    HE2  PHE  33           1HE      PHE  33   3.963  13.983   0.947
  280    HZ   PHE  33           HZ       PHE  33   2.703  14.155   3.053
  281    H    ASP  34           H        ASP  34   1.764  10.302  -3.251
  282    HA   ASP  34           HA       ASP  34   1.775  13.127  -3.316
  283   1HB   ASP  34          2HB       ASP  34   3.291  11.799  -4.688
  284   2HB   ASP  34          1HB       ASP  34   1.930  11.103  -5.560
  285    H    SER  35           H        SER  35  -0.667  10.772  -4.093
  286    HA   SER  35           HA       SER  35  -2.212  12.817  -5.545
  287   1HB   SER  35          2HB       SER  35  -2.545   9.817  -5.688
  288   2HB   SER  35          1HB       SER  35  -3.299  11.026  -6.730
  289    HG   SER  35           HG       SER  35  -0.714  11.473  -6.847
  290    H    LEU  36           H        LEU  36  -2.284  10.703  -2.779
  291    HA   LEU  36           HA       LEU  36  -5.161  10.742  -2.534
  292   1HB   LEU  36          2HB       LEU  36  -3.066   9.812  -0.569
  293   2HB   LEU  36          1HB       LEU  36  -4.793   9.566  -0.404
  294    HG   LEU  36           HG       LEU  36  -2.977   8.352  -2.477
  295   1HD1  LEU  36          1HD1      LEU  36  -4.620   7.125  -0.271
  296   2HD1  LEU  36          2HD1      LEU  36  -2.867   7.314  -0.276
  297   3HD1  LEU  36          3HD1      LEU  36  -3.642   6.246  -1.446
  298   1HD2  LEU  36          1HD2      LEU  36  -5.968   8.077  -2.197
  299   2HD2  LEU  36          2HD2      LEU  36  -4.944   7.200  -3.335
  300   3HD2  LEU  36          3HD2      LEU  36  -5.134   8.948  -3.481
  301    H    THR  37           H        THR  37  -6.189  11.430  -0.498
  302    HA   THR  37           HA       THR  37  -5.128  14.040   0.328
  303    HB   THR  37           HB       THR  37  -7.460  14.416   1.203
  304    HG1  THR  37           1HG      THR  37  -7.925  11.964  -0.206
  305   1HG2  THR  37          1HG2      THR  37  -8.453  14.787  -1.025
  306   2HG2  THR  37          2HG2      THR  37  -7.168  13.815  -1.743
  307   3HG2  THR  37          3HG2      THR  37  -6.779  15.336  -0.943
  308    H    GLU  38           H        GLU  38  -5.535  14.660   2.633
  309    HA   GLU  38           HA       GLU  38  -4.199  12.877   4.332
  310   1HB   GLU  38          2HB       GLU  38  -5.893  15.284   5.007
  311   2HB   GLU  38          1HB       GLU  38  -4.810  14.477   6.129
  312   1HG   GLU  38          2HG       GLU  38  -2.940  14.983   4.629
  313   2HG   GLU  38          1HG       GLU  38  -4.043  15.857   3.574
  314    H    SER  39           H        SER  39  -7.638  13.540   3.955
  315    HA   SER  39           HA       SER  39  -8.658  12.049   6.056
  316   1HB   SER  39          2HB       SER  39  -9.854  12.254   3.281
  317   2HB   SER  39          1HB       SER  39 -10.710  11.981   4.795
  318    HG   SER  39           HG       SER  39 -10.937  14.098   4.586
  319    H    GLU  40           H        GLU  40  -7.758  10.997   2.795
  320    HA   GLU  40           HA       GLU  40  -8.418   8.252   3.218
  321   1HB   GLU  40          2HB       GLU  40  -6.536   9.497   1.200
  322   2HB   GLU  40          1HB       GLU  40  -7.206   7.873   1.122
  323   1HG   GLU  40          2HG       GLU  40  -9.418   8.737   0.812
  324   2HG   GLU  40          1HG       GLU  40  -8.853  10.387   1.077
  325    H    GLN  41           H        GLN  41  -5.555  10.230   3.605
  326    HA   GLN  41           HA       GLN  41  -3.708   8.151   4.046
  327   1HB   GLN  41          2HB       GLN  41  -3.739  11.054   4.832
  328   2HB   GLN  41          1HB       GLN  41  -2.403   9.992   5.254
  329   1HG   GLN  41          2HG       GLN  41  -3.363  10.678   2.486
  330   2HG   GLN  41          1HG       GLN  41  -1.865  11.201   3.255
  331   1HE2  GLN  41          1HE2      GLN  41  -0.190   9.719   3.525
  332   2HE2  GLN  41          2HE2      GLN  41  -0.124   8.244   2.630
  333    H    ASP  42           H        ASP  42  -5.959   9.799   6.184
  334    HA   ASP  42           HA       ASP  42  -5.015   8.820   8.642
  335   1HB   ASP  42          2HB       ASP  42  -6.774  10.543   8.469
  336   2HB   ASP  42          1HB       ASP  42  -7.878   9.355   7.788
  337    H    ASP  43           H        ASP  43  -7.341   7.451   6.346
  338    HA   ASP  43           HA       ASP  43  -7.734   5.004   7.719
  339   1HB   ASP  43          2HB       ASP  43  -8.108   5.823   4.840
  340   2HB   ASP  43          1HB       ASP  43  -8.438   4.188   5.393
  341    H    PHE  44           H        PHE  44  -5.490   6.014   5.199
  342    HA   PHE  44           HA       PHE  44  -4.350   3.502   4.652
  343   1HB   PHE  44          2HB       PHE  44  -4.129   5.515   3.217
  344   2HB   PHE  44          1HB       PHE  44  -3.067   6.236   4.419
  345    HD1  PHE  44           2HD      PHE  44  -3.394   3.243   2.238
  346    HD2  PHE  44           1HD      PHE  44  -0.782   5.919   4.267
  347    HE1  PHE  44           2HE      PHE  44  -1.462   2.177   1.150
  348    HE2  PHE  44           1HE      PHE  44   1.153   4.861   3.181
  349    HZ   PHE  44           HZ       PHE  44   0.817   2.989   1.617
  350    H    VAL  45           H        VAL  45  -3.305   6.063   6.906
  351    HA   VAL  45           HA       VAL  45  -1.031   4.676   7.861
  352    HB   VAL  45           HB       VAL  45  -2.667   6.842   9.200
  353   1HG1  VAL  45          1HG1      VAL  45  -1.418   5.560  10.859
  354   2HG1  VAL  45          2HG1      VAL  45  -0.724   7.169  10.653
  355   3HG1  VAL  45          3HG1      VAL  45   0.058   5.770   9.917
  356   1HG2  VAL  45          1HG2      VAL  45  -0.827   8.306   8.486
  357   2HG2  VAL  45          2HG2      VAL  45  -1.632   7.546   7.113
  358   3HG2  VAL  45          3HG2      VAL  45  -0.073   6.939   7.665
  359    H    ALA  46           H        ALA  46  -4.407   4.798   8.920
  360    HA   ALA  46           HA       ALA  46  -4.208   3.250  11.234
  361   1HB   ALA  46          1HB       ALA  46  -6.565   2.680  10.872
  362   2HB   ALA  46          2HB       ALA  46  -6.456   3.278   9.217
  363   3HB   ALA  46          3HB       ALA  46  -6.264   4.390  10.571
  364    H    LEU  47           H        LEU  47  -4.399   2.280   7.855
  365    HA   LEU  47           HA       LEU  47  -4.554  -0.509   8.269
  366   1HB   LEU  47          2HB       LEU  47  -3.524   1.133   5.962
  367   2HB   LEU  47          1HB       LEU  47  -3.652  -0.612   5.912
  368    HG   LEU  47           HG       LEU  47  -5.980   1.263   6.326
  369   1HD1  LEU  47          1HD1      LEU  47  -6.593   0.640   4.021
  370   2HD1  LEU  47          2HD1      LEU  47  -5.060  -0.219   3.863
  371   3HD1  LEU  47          3HD1      LEU  47  -5.073   1.529   4.096
  372   1HD2  LEU  47          1HD2      LEU  47  -5.874  -1.707   5.799
  373   2HD2  LEU  47          2HD2      LEU  47  -7.337  -0.727   5.933
  374   3HD2  LEU  47          3HD2      LEU  47  -6.288  -0.942   7.334
  375    H    LEU  48           H        LEU  48  -1.834   1.703   7.848
  376    HA   LEU  48           HA       LEU  48   0.180  -0.279   7.664
  377   1HB   LEU  48          2HB       LEU  48   0.460   2.578   8.591
  378   2HB   LEU  48          1HB       LEU  48   1.744   1.548   7.989
  379    HG   LEU  48           HG       LEU  48  -0.598   2.556   6.375
  380   1HD1  LEU  48          1HD1      LEU  48   1.117   3.884   5.205
  381   2HD1  LEU  48          2HD1      LEU  48   2.306   3.354   6.395
  382   3HD1  LEU  48          3HD1      LEU  48   0.934   4.341   6.897
  383   1HD2  LEU  48          1HD2      LEU  48   1.812   0.944   5.545
  384   2HD2  LEU  48          2HD2      LEU  48   0.607   1.626   4.452
  385   3HD2  LEU  48          3HD2      LEU  48   0.144   0.373   5.605
  386    H    GLU  49           H        GLU  49  -1.347   1.317  10.351
  387    HA   GLU  49           HA       GLU  49   0.592   0.452  12.297
  388   1HB   GLU  49          2HB       GLU  49  -2.106   1.780  12.492
  389   2HB   GLU  49          1HB       GLU  49  -1.185   1.308  13.915
  390   1HG   GLU  49          2HG       GLU  49   0.069   3.026  11.817
  391   2HG   GLU  49          1HG       GLU  49  -1.017   3.732  13.012
  392    H    SER  50           H        SER  50  -1.957  -1.030  10.694
  393    HA   SER  50           HA       SER  50  -2.700  -2.746  12.940
  394   1HB   SER  50          2HB       SER  50  -3.873  -2.524  10.159
  395   2HB   SER  50          1HB       SER  50  -4.509  -3.528  11.462
  396    HG   SER  50           HG       SER  50  -4.453  -0.711  11.240
  397    H    ASP  51           H        ASP  51  -3.155  -5.093  12.257
  398    HA   ASP  51           HA       ASP  51  -0.766  -6.267  11.153
  399   1HB   ASP  51          2HB       ASP  51  -1.906  -7.264  13.093
  400   2HB   ASP  51          1HB       ASP  51  -3.354  -7.507  12.128
  401    H    ASP  52           H        ASP  52  -0.972  -7.959   9.354
  402    HA   ASP  52           HA       ASP  52  -2.712  -6.738   7.302
  403   1HB   ASP  52          2HB       ASP  52  -0.897  -7.221   5.683
  404   2HB   ASP  52          1HB       ASP  52  -0.393  -6.126   6.967
  405    HA   PRO  53           HA       PRO  53  -3.368 -11.364   6.833
  406   1HB   PRO  53          2HB       PRO  53  -5.857 -11.464   8.201
  407   2HB   PRO  53          1HB       PRO  53  -4.335 -12.197   8.707
  408   1HG   PRO  53          2HG       PRO  53  -5.651 -10.099   9.989
  409   2HG   PRO  53          1HG       PRO  53  -3.971 -10.591  10.255
  410   1HD   PRO  53          2HD       PRO  53  -5.059  -8.342   8.632
  411   2HD   PRO  53          1HD       PRO  53  -3.537  -8.448   9.541
  412    H    ASP  54           H        ASP  54  -6.150  -9.199   7.325
  413    HA   ASP  54           HA       ASP  54  -7.609  -9.999   5.064
  414   1HB   ASP  54          2HB       ASP  54  -7.652  -7.277   6.399
  415   2HB   ASP  54          1HB       ASP  54  -8.921  -7.972   5.399
  416    H    LEU  55           H        LEU  55  -5.125  -7.576   5.557
  417    HA   LEU  55           HA       LEU  55  -5.378  -6.212   3.113
  418   1HB   LEU  55          2HB       LEU  55  -4.089  -5.538   5.215
  419   2HB   LEU  55          1HB       LEU  55  -2.816  -6.601   4.656
  420    HG   LEU  55           HG       LEU  55  -3.818  -4.302   2.981
  421   1HD1  LEU  55          1HD1      LEU  55  -1.580  -4.282   5.005
  422   2HD1  LEU  55          2HD1      LEU  55  -3.098  -3.389   5.112
  423   3HD1  LEU  55          3HD1      LEU  55  -1.932  -2.998   3.847
  424   1HD2  LEU  55          1HD2      LEU  55  -1.617  -4.482   1.931
  425   2HD2  LEU  55          2HD2      LEU  55  -2.503  -6.002   1.815
  426   3HD2  LEU  55          3HD2      LEU  55  -1.210  -5.825   3.000
  427    H    PHE  56           H        PHE  56  -3.167  -8.844   4.100
  428    HA   PHE  56           HA       PHE  56  -1.968  -9.224   1.596
  429   1HB   PHE  56          2HB       PHE  56  -1.337 -10.184   3.921
  430   2HB   PHE  56          1HB       PHE  56  -2.464 -11.476   3.529
  431    HD1  PHE  56           2HD      PHE  56   0.738  -9.922   2.692
  432    HD2  PHE  56           1HD      PHE  56  -1.941 -13.114   1.844
  433    HE1  PHE  56           2HE      PHE  56   2.521 -11.079   1.453
  434    HE2  PHE  56           1HE      PHE  56  -0.165 -14.280   0.602
  435    HZ   PHE  56           HZ       PHE  56   2.071 -13.260   0.403
  436    H    ALA  57           H        ALA  57  -4.960 -10.457   2.948
  437    HA   ALA  57           HA       ALA  57  -5.500 -12.426   0.990
  438   1HB   ALA  57          1HB       ALA  57  -6.619 -12.388   3.165
  439   2HB   ALA  57          2HB       ALA  57  -7.786 -12.384   1.842
  440   3HB   ALA  57          3HB       ALA  57  -7.439 -10.892   2.717
  441    H    TRP  58           H        TRP  58  -6.114  -8.961   1.106
  442    HA   TRP  58           HA       TRP  58  -7.786  -9.019  -1.227
  443   1HB   TRP  58          2HB       TRP  58  -6.728  -6.879   0.542
  444   2HB   TRP  58          1HB       TRP  58  -7.263  -6.432  -1.078
  445    HD1  TRP  58           HD       TRP  58  -8.644  -8.286   2.014
  446    HE1  TRP  58           1HE      TRP  58 -11.180  -7.878   2.121
  447    HE3  TRP  58           3HE      TRP  58  -9.213  -5.620  -2.311
  448    HZ2  TRP  58           2HZ      TRP  58 -13.162  -6.593   0.568
  449    HZ3  TRP  58           3HZ      TRP  58 -11.465  -4.843  -2.931
  450    HH2  TRP  58           HH       TRP  58 -13.397  -5.322  -1.519
  451    H    VAL  59           H        VAL  59  -4.384  -8.555  -0.585
  452    HA   VAL  59           HA       VAL  59  -3.600  -7.596  -3.103
  453    HB   VAL  59           HB       VAL  59  -2.082  -9.481  -1.282
  454   1HG1  VAL  59          1HG1      VAL  59  -1.143  -9.481  -3.517
  455   2HG1  VAL  59          2HG1      VAL  59  -0.074  -8.623  -2.410
  456   3HG1  VAL  59          3HG1      VAL  59  -1.099  -7.718  -3.523
  457   1HG2  VAL  59          1HG2      VAL  59  -2.684  -7.442  -0.121
  458   2HG2  VAL  59          2HG2      VAL  59  -2.059  -6.468  -1.451
  459   3HG2  VAL  59          3HG2      VAL  59  -0.957  -7.440  -0.476
  460    H    MET  60           H        MET  60  -4.219 -10.868  -1.918
  461    HA   MET  60           HA       MET  60  -3.698 -12.052  -4.507
  462   1HB   MET  60          2HB       MET  60  -4.922 -13.245  -2.006
  463   2HB   MET  60          1HB       MET  60  -4.466 -14.149  -3.443
  464   1HG   MET  60          2HG       MET  60  -2.579 -12.605  -1.676
  465   2HG   MET  60          1HG       MET  60  -2.813 -14.352  -1.657
  466   1HE   MET  60          1HE       MET  60  -0.170 -14.658  -1.940
  467   2HE   MET  60          2HE       MET  60   0.031 -12.908  -1.985
  468   3HE   MET  60          3HE       MET  60   0.762 -13.910  -3.237
  469    H    GLY  61           H        GLY  61  -6.350 -10.693  -2.799
  470   1HA   GLY  61          2HA       GLY  61  -8.395 -10.034  -3.662
  471   2HA   GLY  61          1HA       GLY  61  -8.011 -10.889  -5.150
  472    H    HIS  62           H        HIS  62  -8.286 -11.983  -1.768
  473    HA   HIS  62           HA       HIS  62 -10.547 -13.679  -2.553
  474   1HB   HIS  62          2HB       HIS  62  -8.316 -14.907  -2.804
  475   2HB   HIS  62          1HB       HIS  62  -8.185 -14.816  -1.052
  476    HD1  HIS  62           1HD      HIS  62  -9.166 -16.725   0.189
  477    HD2  HIS  62           2HD      HIS  62 -10.763 -16.360  -3.636
  478    HE1  HIS  62           1HE      HIS  62 -10.666 -18.722  -0.115
  479    HE2  HIS  62           2HE      HIS  62 -11.523 -18.550  -2.485
  480    H    GLY  63           H        GLY  63 -10.196 -11.282  -0.856
  481   1HA   GLY  63          2HA       GLY  63 -11.114 -12.440   1.701
  482   2HA   GLY  63          1HA       GLY  63  -9.995 -11.086   1.662
  483    H    ARG  64           H        ARG  64 -12.020 -10.498   3.106
  484    HA   ARG  64           HA       ARG  64 -13.761  -8.843   1.395
  485   1HB   ARG  64          2HB       ARG  64 -14.507 -10.418   3.859
  486   2HB   ARG  64          1HB       ARG  64 -15.502  -9.118   3.224
  487   1HG   ARG  64          2HG       ARG  64 -15.795 -10.336   1.141
  488   2HG   ARG  64          1HG       ARG  64 -14.755 -11.630   1.744
  489   1HD   ARG  64          2HD       ARG  64 -17.180 -12.125   1.956
  490   2HD   ARG  64          1HD       ARG  64 -16.313 -12.148   3.493
  491    HE   ARG  64           HE       ARG  64 -17.344  -9.578   3.152
  492   1HH1  ARG  64          1HH1      ARG  64 -18.564 -12.834   3.594
  493   2HH1  ARG  64          2HH1      ARG  64 -20.023 -12.315   4.381
  494   1HH2  ARG  64          1HH2      ARG  64 -19.212  -8.892   4.198
  495   2HH2  ARG  64          2HH2      ARG  64 -20.385 -10.056   4.745
  496    H    CYS  65           H        CYS  65 -14.614  -6.926   2.517
  497    HA   CYS  65           HA       CYS  65 -13.262  -6.167   4.986
  498   1HB   CYS  65          2HB       CYS  65 -13.101  -4.633   2.398
  499   2HB   CYS  65          1HB       CYS  65 -12.929  -3.830   3.953
  500    HG   CYS  65           HG       CYS  65 -10.951  -6.448   3.875
  501    H    GLU  66           H        GLU  66 -14.549  -5.015   6.326
  502    HA   GLU  66           HA       GLU  66 -17.318  -4.853   5.714
  503   1HB   GLU  66          2HB       GLU  66 -15.782  -3.717   8.055
  504   2HB   GLU  66          1HB       GLU  66 -17.533  -3.820   7.946
  505   1HG   GLU  66          2HG       GLU  66 -15.586  -6.113   8.043
  506   2HG   GLU  66          1HG       GLU  66 -16.714  -5.619   9.305
  507    H    ASN  67           H        ASN  67 -14.682  -2.516   5.813
  508    HA   ASN  67           HA       ASN  67 -16.514  -0.592   4.560
  509   1HB   ASN  67          2HB       ASN  67 -15.065   1.229   5.467
  510   2HB   ASN  67          1HB       ASN  67 -15.906   0.313   6.709
  511   1HD2  ASN  67          1HD2      ASN  67 -13.479   1.965   6.805
  512   2HD2  ASN  67          2HD2      ASN  67 -12.262   0.937   7.485
  513    H    LEU  68           H        LEU  68 -16.098  -0.354   2.501
  514    HA   LEU  68           HA       LEU  68 -13.776  -1.467   1.296
  515   1HB   LEU  68          2HB       LEU  68 -15.993   0.249   0.198
  516   2HB   LEU  68          1HB       LEU  68 -14.724  -0.441  -0.789
  517    HG   LEU  68           HG       LEU  68 -16.768  -1.990   0.807
  518   1HD1  LEU  68          1HD1      LEU  68 -16.419  -1.630  -2.166
  519   2HD1  LEU  68          2HD1      LEU  68 -17.708  -0.944  -1.178
  520   3HD1  LEU  68          3HD1      LEU  68 -17.593  -2.691  -1.389
  521   1HD2  LEU  68          1HD2      LEU  68 -14.669  -3.182   0.765
  522   2HD2  LEU  68          2HD2      LEU  68 -14.534  -2.940  -0.978
  523   3HD2  LEU  68          3HD2      LEU  68 -15.816  -3.962  -0.325
  524    H    GLY  69           H        GLY  69 -14.435   1.581   2.644
  525   1HA   GLY  69          2HA       GLY  69 -12.812   3.293   1.168
  526   2HA   GLY  69          1HA       GLY  69 -13.115   3.439   2.894
  527    H    LEU  70           H        LEU  70 -11.939   0.938   3.647
  528    HA   LEU  70           HA       LEU  70  -9.188   1.666   3.761
  529   1HB   LEU  70          2HB       LEU  70 -10.688  -0.822   4.570
  530   2HB   LEU  70          1HB       LEU  70  -8.952  -0.657   4.780
  531    HG   LEU  70           HG       LEU  70 -11.095   1.019   6.093
  532   1HD1  LEU  70          1HD1      LEU  70 -10.856  -1.206   7.045
  533   2HD1  LEU  70          2HD1      LEU  70 -10.241   0.020   8.154
  534   3HD1  LEU  70          3HD1      LEU  70  -9.117  -0.961   7.214
  535   1HD2  LEU  70          1HD2      LEU  70  -8.095   1.208   6.340
  536   2HD2  LEU  70          2HD2      LEU  70  -9.270   2.107   7.297
  537   3HD2  LEU  70          3HD2      LEU  70  -9.147   2.390   5.561
  538    H    ALA  71           H        ALA  71 -11.054  -0.643   1.912
  539    HA   ALA  71           HA       ALA  71  -8.850  -2.036   0.802
  540   1HB   ALA  71          1HB       ALA  71 -10.481  -3.050  -0.690
  541   2HB   ALA  71          2HB       ALA  71 -11.680  -1.846  -0.217
  542   3HB   ALA  71          3HB       ALA  71 -11.090  -3.013   0.965
  543    H    ALA  72           H        ALA  72 -10.439   0.912   0.004
  544    HA   ALA  72           HA       ALA  72  -9.953   1.140  -2.721
  545   1HB   ALA  72          1HB       ALA  72 -10.131   3.552  -2.407
  546   2HB   ALA  72          2HB       ALA  72  -9.934   3.345  -0.666
  547   3HB   ALA  72          3HB       ALA  72 -11.361   2.697  -1.475
  548    H    MET  73           H        MET  73  -7.819   1.976   0.005
  549    HA   MET  73           HA       MET  73  -5.730   2.921  -1.697
  550   1HB   MET  73          2HB       MET  73  -5.792   2.152   1.215
  551   2HB   MET  73          1HB       MET  73  -4.302   2.624   0.411
  552   1HG   MET  73          2HG       MET  73  -5.092   4.555   1.465
  553   2HG   MET  73          1HG       MET  73  -5.466   4.764  -0.243
  554   1HE   MET  73          1HE       MET  73  -8.508   3.757   3.067
  555   2HE   MET  73          2HE       MET  73  -6.808   4.142   3.342
  556   3HE   MET  73          3HE       MET  73  -7.252   2.636   2.541
  557    H    VAL  74           H        VAL  74  -6.496  -0.174  -0.222
  558    HA   VAL  74           HA       VAL  74  -4.091  -1.510  -0.839
  559    HB   VAL  74           HB       VAL  74  -6.866  -2.707  -0.649
  560   1HG1  VAL  74          1HG1      VAL  74  -5.267  -4.222  -1.674
  561   2HG1  VAL  74          2HG1      VAL  74  -5.692  -4.779  -0.056
  562   3HG1  VAL  74          3HG1      VAL  74  -4.147  -3.976  -0.334
  563   1HG2  VAL  74          1HG2      VAL  74  -6.360  -3.138   1.695
  564   2HG2  VAL  74          2HG2      VAL  74  -6.288  -1.409   1.352
  565   3HG2  VAL  74          3HG2      VAL  74  -4.797  -2.337   1.517
  566    H    ASP  75           H        ASP  75  -7.063  -0.962  -2.628
  567    HA   ASP  75           HA       ASP  75  -6.677  -2.557  -4.859
  568   1HB   ASP  75          2HB       ASP  75  -8.756  -1.362  -4.492
  569   2HB   ASP  75          1HB       ASP  75  -7.938   0.188  -4.641
  570    H    LYS  76           H        LYS  76  -5.494   0.717  -4.231
  571    HA   LYS  76           HA       LYS  76  -4.343   1.102  -6.783
  572   1HB   LYS  76          2HB       LYS  76  -3.504   2.463  -4.221
  573   2HB   LYS  76          1HB       LYS  76  -3.332   3.072  -5.863
  574   1HG   LYS  76          2HG       LYS  76  -5.858   2.730  -4.276
  575   2HG   LYS  76          1HG       LYS  76  -5.154   4.221  -4.905
  576   1HD   LYS  76          2HD       LYS  76  -5.672   3.628  -7.142
  577   2HD   LYS  76          1HD       LYS  76  -6.065   1.970  -6.684
  578   1HE   LYS  76          2HE       LYS  76  -7.923   2.954  -5.272
  579   2HE   LYS  76          1HE       LYS  76  -7.613   4.480  -6.100
  580   1HZ   LYS  76          1HZ       LYS  76  -9.391   3.266  -7.171
  581   2HZ   LYS  76          2HZ       LYS  76  -8.383   1.915  -7.395
  582   3HZ   LYS  76          3HZ       LYS  76  -8.056   3.370  -8.210
  583    H    ILE  77           H        ILE  77  -3.121  -0.208  -3.771
  584    HA   ILE  77           HA       ILE  77  -0.409  -0.410  -4.527
  585    HB   ILE  77           HB       ILE  77  -1.979  -2.134  -2.601
  586   1HG1  ILE  77          2HG1      ILE  77  -0.220   0.278  -2.097
  587   2HG1  ILE  77          1HG1      ILE  77  -1.979   0.279  -2.051
  588   1HG2  ILE  77          1HG2      ILE  77   0.219  -2.673  -1.623
  589   2HG2  ILE  77          2HG2      ILE  77   1.002  -1.794  -2.937
  590   3HG2  ILE  77          3HG2      ILE  77   0.064  -3.248  -3.283
  591   1HD1  ILE  77          1HD1      ILE  77  -0.170  -1.279  -0.219
  592   2HD1  ILE  77          2HD1      ILE  77  -1.935  -1.273  -0.174
  593   3HD1  ILE  77          3HD1      ILE  77  -1.039   0.204   0.179
  594    H    VAL  78           H        VAL  78  -3.081  -2.761  -4.617
  595    HA   VAL  78           HA       VAL  78  -1.632  -4.868  -5.795
  596    HB   VAL  78           HB       VAL  78  -4.600  -4.316  -5.944
  597   1HG1  VAL  78          1HG1      VAL  78  -3.080  -6.883  -6.399
  598   2HG1  VAL  78          2HG1      VAL  78  -3.894  -5.929  -7.637
  599   3HG1  VAL  78          3HG1      VAL  78  -4.835  -6.715  -6.370
  600   1HG2  VAL  78          1HG2      VAL  78  -3.836  -4.442  -3.655
  601   2HG2  VAL  78          2HG2      VAL  78  -2.975  -5.943  -3.995
  602   3HG2  VAL  78          3HG2      VAL  78  -4.736  -5.904  -4.059
  603    H    ALA  79           H        ALA  79  -3.612  -2.291  -7.234
  604    HA   ALA  79           HA       ALA  79  -3.505  -3.144  -9.899
  605   1HB   ALA  79          1HB       ALA  79  -3.642  -0.326  -8.829
  606   2HB   ALA  79          2HB       ALA  79  -5.015  -1.385  -9.162
  607   3HB   ALA  79          3HB       ALA  79  -4.000  -0.812 -10.485
  608    H    HIS  80           H        HIS  80  -1.207  -1.256  -7.998
  609    HA   HIS  80           HA       HIS  80   0.535  -0.658 -10.167
  610   1HB   HIS  80          2HB       HIS  80   0.642  -0.429  -7.206
  611   2HB   HIS  80          1HB       HIS  80   2.167  -0.401  -8.081
  612    HD1  HIS  80           1HD      HIS  80  -0.925   1.593  -7.483
  613    HD2  HIS  80           2HD      HIS  80   2.587   1.865  -9.685
  614    HE1  HIS  80           1HE      HIS  80  -0.783   3.987  -8.238
  615    HE2  HIS  80           2HE      HIS  80   1.489   4.175  -9.321
  616    H    ASN  81           H        ASN  81   0.391  -3.230  -7.771
  617    HA   ASN  81           HA       ASN  81   2.852  -4.430  -8.493
  618   1HB   ASN  81          2HB       ASN  81   1.739  -4.898  -6.348
  619   2HB   ASN  81          1HB       ASN  81   0.406  -5.668  -7.202
  620   1HD2  ASN  81          1HD2      ASN  81   0.641  -7.726  -7.965
  621   2HD2  ASN  81          2HD2      ASN  81   2.012  -8.715  -7.621
  622    H    LEU  82           H        LEU  82  -0.453  -4.767  -9.622
  623    HA   LEU  82           HA       LEU  82  -0.186  -7.040 -11.211
  624   1HB   LEU  82          2HB       LEU  82  -2.300  -5.813 -10.632
  625   2HB   LEU  82          1HB       LEU  82  -1.868  -4.619 -11.838
  626    HG   LEU  82           HG       LEU  82  -1.958  -6.366 -13.584
  627   1HD1  LEU  82          1HD1      LEU  82  -2.897  -8.544 -13.076
  628   2HD1  LEU  82          2HD1      LEU  82  -2.995  -8.122 -11.365
  629   3HD1  LEU  82          3HD1      LEU  82  -1.422  -8.280 -12.147
  630   1HD2  LEU  82          1HD2      LEU  82  -4.460  -6.139 -11.910
  631   2HD2  LEU  82          2HD2      LEU  82  -4.389  -6.614 -13.607
  632   3HD2  LEU  82          3HD2      LEU  82  -3.922  -4.983 -13.129
  633    H    SER  83           H        SER  83   0.426  -3.637 -11.994
  634    HA   SER  83           HA       SER  83   0.933  -4.137 -14.742
  635   1HB   SER  83          2HB       SER  83   1.858  -1.770 -14.686
  636   2HB   SER  83          1HB       SER  83   0.180  -1.965 -14.185
  637    HG   SER  83           HG       SER  83   2.357  -1.110 -12.755
  638    H    LYS  84           H        LYS  84   3.072  -3.788 -11.918
  639    HA   LYS  84           HA       LYS  84   5.457  -3.862 -13.457
  640   1HB   LYS  84          2HB       LYS  84   6.619  -4.377 -11.348
  641   2HB   LYS  84          1HB       LYS  84   5.529  -3.008 -11.190
  642   1HG   LYS  84          2HG       LYS  84   3.875  -4.478 -10.120
  643   2HG   LYS  84          1HG       LYS  84   5.010  -5.820 -10.246
  644   1HD   LYS  84          2HD       LYS  84   5.808  -3.289  -8.863
  645   2HD   LYS  84          1HD       LYS  84   4.831  -4.490  -8.022
  646   1HE   LYS  84          2HE       LYS  84   7.083  -4.946  -7.462
  647   2HE   LYS  84          1HE       LYS  84   6.601  -6.184  -8.618
  648   1HZ   LYS  84          1HZ       LYS  84   8.154  -3.739  -9.297
  649   2HZ   LYS  84          2HZ       LYS  84   7.774  -5.018 -10.347
  650   3HZ   LYS  84          3HZ       LYS  84   8.822  -5.277  -9.047
  651    H    VAL  85           H        VAL  85   3.322  -6.317 -12.213
  652    HA   VAL  85           HA       VAL  85   5.090  -8.513 -12.664
  653    HB   VAL  85           HB       VAL  85   2.090  -8.423 -12.300
  654   1HG1  VAL  85          1HG1      VAL  85   2.207 -10.870 -12.002
  655   2HG1  VAL  85          2HG1      VAL  85   3.885 -10.833 -12.546
  656   3HG1  VAL  85          3HG1      VAL  85   2.590 -10.362 -13.647
  657   1HG2  VAL  85          1HG2      VAL  85   3.392  -7.837 -10.336
  658   2HG2  VAL  85          2HG2      VAL  85   4.334  -9.319 -10.499
  659   3HG2  VAL  85          3HG2      VAL  85   2.614  -9.405 -10.117
  660    H    ARG  86           H        ARG  86   2.642  -6.865 -14.630
  661    HA   ARG  86           HA       ARG  86   2.748  -8.808 -16.734
  662   1HB   ARG  86          2HB       ARG  86   1.264  -7.462 -17.919
  663   2HB   ARG  86          1HB       ARG  86   0.873  -7.097 -16.249
  664   1HG   ARG  86          2HG       ARG  86   2.038  -5.013 -16.358
  665   2HG   ARG  86          1HG       ARG  86   2.673  -5.398 -17.960
  666   1HD   ARG  86          2HD       ARG  86   0.351  -5.458 -18.818
  667   2HD   ARG  86          1HD       ARG  86  -0.222  -4.966 -17.226
  668    HE   ARG  86           HE       ARG  86   1.053  -2.873 -17.564
  669   1HH1  ARG  86          1HH1      ARG  86   0.285  -4.820 -20.371
  670   2HH1  ARG  86          2HH1      ARG  86   0.243  -3.471 -21.460
  671   1HH2  ARG  86          1HH2      ARG  86   0.981  -1.090 -18.994
  672   2HH2  ARG  86          2HH2      ARG  86   0.643  -1.345 -20.682
  673    H    LEU  87           H        LEU  87   4.689  -6.164 -15.784
  674    HA   LEU  87           HA       LEU  87   5.971  -5.837 -18.349
  675   1HB   LEU  87          2HB       LEU  87   5.759  -3.904 -16.935
  676   2HB   LEU  87          1HB       LEU  87   6.551  -4.730 -15.606
  677    HG   LEU  87           HG       LEU  87   8.630  -4.811 -16.974
  678   1HD1  LEU  87          1HD1      LEU  87   7.681  -4.621 -19.186
  679   2HD1  LEU  87          2HD1      LEU  87   8.796  -3.283 -18.900
  680   3HD1  LEU  87          3HD1      LEU  87   7.056  -3.014 -18.809
  681   1HD2  LEU  87          1HD2      LEU  87   9.210  -2.461 -16.631
  682   2HD2  LEU  87          2HD2      LEU  87   8.307  -3.110 -15.263
  683   3HD2  LEU  87          3HD2      LEU  87   7.501  -2.070 -16.436
  684    H    GLU  88           H        GLU  88   6.914  -7.075 -15.136
  685    HA   GLU  88           HA       GLU  88   9.475  -7.946 -16.101
  686   1HB   GLU  88          2HB       GLU  88   8.081  -8.482 -13.475
  687   2HB   GLU  88          1HB       GLU  88   9.760  -8.865 -13.828
  688   1HG   GLU  88          2HG       GLU  88  10.191  -6.467 -14.215
  689   2HG   GLU  88          1HG       GLU  88   8.528  -6.123 -13.742
  690    H    HIS  89           H        HIS  89   6.347  -9.357 -15.788
  691    HA   HIS  89           HA       HIS  89   7.421 -11.858 -16.883
  692   1HB   HIS  89          2HB       HIS  89   6.250 -11.558 -14.296
  693   2HB   HIS  89          1HB       HIS  89   5.127 -12.474 -15.299
  694    HD1  HIS  89           1HD      HIS  89   8.315 -12.755 -13.462
  695    HD2  HIS  89           2HD      HIS  89   6.211 -14.936 -16.317
  696    HE1  HIS  89           1HE      HIS  89   9.382 -15.036 -13.503
  697    HE2  HIS  89           2HE      HIS  89   8.207 -16.275 -15.361
  698    H    HIS  90           H        HIS  90   4.596 -12.941 -16.758
  699    HA   HIS  90           HA       HIS  90   3.454 -11.237 -18.870
  700   1HB   HIS  90          2HB       HIS  90   4.660 -13.529 -19.497
  701   2HB   HIS  90          1HB       HIS  90   3.099 -14.195 -19.026
  702    HD1  HIS  90           1HD      HIS  90   4.633 -13.672 -21.976
  703    HD2  HIS  90           2HD      HIS  90   1.115 -12.055 -20.451
  704    HE1  HIS  90           1HE      HIS  90   3.315 -12.902 -23.974
  705    HE2  HIS  90           2HE      HIS  90   1.321 -11.708 -23.009
  706    H    HIS  91           H        HIS  91   1.613 -10.455 -18.084
  707    HA   HIS  91           HA       HIS  91  -0.385 -12.277 -17.020
  708   1HB   HIS  91          2HB       HIS  91   1.127 -11.351 -15.100
  709   2HB   HIS  91          1HB       HIS  91   0.258  -9.846 -15.365
  710    HD1  HIS  91           1HD      HIS  91  -2.482 -10.110 -15.111
  711    HD2  HIS  91           2HD      HIS  91  -0.097 -13.059 -13.399
  712    HE1  HIS  91           1HE      HIS  91  -3.937 -11.267 -13.422
  713    HE2  HIS  91           2HE      HIS  91  -2.410 -12.892 -12.253
  714    H    HIS  92           H        HIS  92  -2.424 -11.605 -17.543
  715    HA   HIS  92           HA       HIS  92  -2.604  -9.063 -18.996
  716   1HB   HIS  92          2HB       HIS  92  -4.325 -11.527 -18.948
  717   2HB   HIS  92          1HB       HIS  92  -4.927 -10.009 -19.606
  718    HD1  HIS  92           1HD      HIS  92  -3.997  -9.235 -21.855
  719    HD2  HIS  92           2HD      HIS  92  -2.296 -12.774 -20.481
  720    HE1  HIS  92           1HE      HIS  92  -2.741 -10.190 -23.815
  721    HE2  HIS  92           2HE      HIS  92  -1.639 -12.278 -22.939
  722    H    HIS  93           H        HIS  93  -5.079  -8.228 -18.811
  723    HA   HIS  93           HA       HIS  93  -6.125  -8.274 -16.140
  724   1HB   HIS  93          2HB       HIS  93  -5.872  -5.844 -15.713
  725   2HB   HIS  93          1HB       HIS  93  -4.319  -6.668 -15.766
  726    HD1  HIS  93           1HD      HIS  93  -6.136  -3.837 -17.197
  727    HD2  HIS  93           2HD      HIS  93  -2.890  -6.207 -18.284
  728    HE1  HIS  93           1HE      HIS  93  -4.916  -2.549 -18.974
  729    HE2  HIS  93           2HE      HIS  93  -3.084  -4.088 -19.761
  730    H    HIS  94           H        HIS  94  -8.084  -6.923 -15.957
  731    HA   HIS  94           HA       HIS  94  -9.295  -6.335 -18.580
  732   1HB   HIS  94          2HB       HIS  94 -10.060  -8.554 -17.642
  733   2HB   HIS  94          1HB       HIS  94 -10.747  -7.673 -16.284
  734    HD1  HIS  94           1HD      HIS  94 -11.903  -9.262 -19.129
  735    HD2  HIS  94           2HD      HIS  94 -12.528  -5.428 -17.629
  736    HE1  HIS  94           1HE      HIS  94 -14.044  -8.461 -20.175
  737    HE2  HIS  94           2HE      HIS  94 -14.332  -6.094 -19.365
  Start of MODEL   18
    1   1H    MET   1          1HT       MET   1  -0.113  17.245   6.541
    2   2H    MET   1          2HT       MET   1   0.480  17.858   5.077
    3   3H    MET   1          3HT       MET   1  -0.223  18.903   6.199
    4    HA   MET   1           HA       MET   1   2.197  19.066   6.162
    5   1HB   MET   1          2HB       MET   1   0.868  18.039   8.671
    6   2HB   MET   1          1HB       MET   1   2.517  18.642   8.656
    7   1HG   MET   1          2HG       MET   1   1.075  20.385   9.401
    8   2HG   MET   1          1HG       MET   1   1.677  20.800   7.798
    9   1HE   MET   1          1HE       MET   1  -0.151  22.663   7.510
   10   2HE   MET   1          2HE       MET   1  -0.761  22.308   9.125
   11   3HE   MET   1          3HE       MET   1  -1.877  22.400   7.762
   12    H    TYR   2           H        TYR   2   3.424  17.649   4.946
   13    HA   TYR   2           HA       TYR   2   4.208  15.200   6.385
   14   1HB   TYR   2          2HB       TYR   2   3.271  15.508   3.614
   15   2HB   TYR   2          1HB       TYR   2   4.712  14.515   3.805
   16    HD1  TYR   2           2HD      TYR   2   1.229  14.908   5.080
   17    HD2  TYR   2           1HD      TYR   2   4.524  12.295   4.461
   18    HE1  TYR   2           2HE      TYR   2  -0.160  13.000   5.771
   19    HE2  TYR   2           1HE      TYR   2   3.149  10.382   5.154
   20    HH   TYR   2           HH       TYR   2  -0.201  10.532   5.443
   21    H    THR   3           H        THR   3   6.277  14.890   6.681
   22    HA   THR   3           HA       THR   3   8.197  16.573   5.223
   23    HB   THR   3           HB       THR   3   9.651  16.366   7.251
   24    HG1  THR   3           1HG      THR   3   8.249  15.788   9.206
   25   1HG2  THR   3          1HG2      THR   3   6.941  17.590   7.789
   26   2HG2  THR   3          2HG2      THR   3   8.256  18.366   6.907
   27   3HG2  THR   3          3HG2      THR   3   8.447  17.988   8.619
   28    H    ALA   4           H        ALA   4  10.482  15.515   5.366
   29    HA   ALA   4           HA       ALA   4  10.385  12.931   4.194
   30   1HB   ALA   4          1HB       ALA   4  12.811  12.988   4.272
   31   2HB   ALA   4          2HB       ALA   4  12.766  14.344   5.400
   32   3HB   ALA   4          3HB       ALA   4  12.185  14.550   3.748
   33    H    GLU   5           H        GLU   5  10.987  14.128   7.422
   34    HA   GLU   5           HA       GLU   5  11.740  11.754   8.696
   35   1HB   GLU   5          2HB       GLU   5  11.856  14.046   9.678
   36   2HB   GLU   5          1HB       GLU   5  10.107  14.036   9.827
   37   1HG   GLU   5          2HG       GLU   5  10.320  12.033  11.279
   38   2HG   GLU   5          1HG       GLU   5  12.067  12.262  11.242
   39    H    GLN   6           H        GLN   6   8.565  13.206   8.119
   40    HA   GLN   6           HA       GLN   6   7.022  11.254   9.416
   41   1HB   GLN   6          2HB       GLN   6   6.138  13.444   8.738
   42   2HB   GLN   6          1HB       GLN   6   6.291  12.986   7.049
   43   1HG   GLN   6          2HG       GLN   6   4.012  12.769   7.656
   44   2HG   GLN   6          1HG       GLN   6   4.669  11.147   7.466
   45   1HE2  GLN   6          1HE2      GLN   6   2.334  12.052   8.935
   46   2HE2  GLN   6          2HE2      GLN   6   2.560  11.552  10.575
   47    H    LYS   7           H        LYS   7   8.039  11.524   6.020
   48    HA   LYS   7           HA       LYS   7   6.819   9.187   5.084
   49   1HB   LYS   7          2HB       LYS   7   9.228  10.733   4.212
   50   2HB   LYS   7          1HB       LYS   7   8.875   9.182   3.468
   51   1HG   LYS   7          2HG       LYS   7   6.598  10.084   2.906
   52   2HG   LYS   7          1HG       LYS   7   7.175  11.665   3.442
   53   1HD   LYS   7          2HD       LYS   7   8.918  11.639   1.770
   54   2HD   LYS   7          1HD       LYS   7   8.492   9.994   1.301
   55   1HE   LYS   7          2HE       LYS   7   6.269  10.817   0.588
   56   2HE   LYS   7          1HE       LYS   7   6.785  12.460   0.971
   57   1HZ   LYS   7          1HZ       LYS   7   7.042  11.983  -1.389
   58   2HZ   LYS   7          2HZ       LYS   7   8.057  10.667  -1.039
   59   3HZ   LYS   7          3HZ       LYS   7   8.553  12.245  -0.666
   60    H    ALA   8           H        ALA   8   9.855   9.689   6.780
   61    HA   ALA   8           HA       ALA   8  10.988   7.148   6.319
   62   1HB   ALA   8          1HB       ALA   8  12.487   7.668   8.167
   63   2HB   ALA   8          2HB       ALA   8  11.446   9.009   8.650
   64   3HB   ALA   8          3HB       ALA   8  12.294   9.062   7.104
   65    H    ARG   9           H        ARG   9   8.934   8.378   8.932
   66    HA   ARG   9           HA       ARG   9   9.042   6.090  10.569
   67   1HB   ARG   9          2HB       ARG   9   6.730   8.018  10.271
   68   2HB   ARG   9          1HB       ARG   9   7.007   6.931  11.622
   69   1HG   ARG   9          2HG       ARG   9   9.081   8.158  12.145
   70   2HG   ARG   9          1HG       ARG   9   8.713   9.284  10.836
   71   1HD   ARG   9          2HD       ARG   9   6.544   9.776  11.973
   72   2HD   ARG   9          1HD       ARG   9   7.088   8.785  13.325
   73    HE   ARG   9           HE       ARG   9   8.862  10.947  12.559
   74   1HH1  ARG   9          1HH1      ARG   9   6.336   9.828  14.705
   75   2HH1  ARG   9          2HH1      ARG   9   6.553  11.128  15.837
   76   1HH2  ARG   9          1HH2      ARG   9   9.142  12.675  14.061
   77   2HH2  ARG   9          2HH2      ARG   9   8.133  12.725  15.480
   78    H    ILE  10           H        ILE  10   6.935   6.980   7.896
   79    HA   ILE  10           HA       ILE  10   5.200   4.743   8.102
   80    HB   ILE  10           HB       ILE  10   5.771   6.518   5.723
   81   1HG1  ILE  10          2HG1      ILE  10   3.576   6.646   7.811
   82   2HG1  ILE  10          1HG1      ILE  10   4.967   7.722   7.732
   83   1HG2  ILE  10          1HG2      ILE  10   4.738   4.406   5.061
   84   2HG2  ILE  10          2HG2      ILE  10   3.603   5.742   4.878
   85   3HG2  ILE  10          3HG2      ILE  10   3.458   4.646   6.252
   86   1HD1  ILE  10          1HD1      ILE  10   4.203   8.605   5.618
   87   2HD1  ILE  10          2HD1      ILE  10   2.933   8.743   6.835
   88   3HD1  ILE  10          3HD1      ILE  10   2.849   7.476   5.612
   89    H    LYS  11           H        LYS  11   8.079   5.431   6.144
   90    HA   LYS  11           HA       LYS  11   8.144   3.064   4.664
   91   1HB   LYS  11          2HB       LYS  11  10.411   4.804   5.643
   92   2HB   LYS  11          1HB       LYS  11  10.609   3.488   4.492
   93   1HG   LYS  11          2HG       LYS  11   9.158   4.595   2.910
   94   2HG   LYS  11          1HG       LYS  11   8.826   5.879   4.073
   95   1HD   LYS  11          2HD       LYS  11  11.228   6.473   4.048
   96   2HD   LYS  11          1HD       LYS  11  11.491   5.236   2.813
   97   1HE   LYS  11          2HE       LYS  11   9.985   6.396   1.304
   98   2HE   LYS  11          1HE       LYS  11   9.637   7.602   2.543
   99   1HZ   LYS  11          1HZ       LYS  11  11.229   8.495   1.038
  100   2HZ   LYS  11          2HZ       LYS  11  12.230   7.135   1.173
  101   3HZ   LYS  11          3HZ       LYS  11  12.034   8.179   2.498
  102    H    TRP  12           H        TRP  12   9.284   3.730   7.940
  103    HA   TRP  12           HA       TRP  12  10.572   1.248   8.349
  104   1HB   TRP  12          2HB       TRP  12   9.465   3.353  10.169
  105   2HB   TRP  12          1HB       TRP  12   9.945   1.803  10.841
  106    HD1  TRP  12           HD       TRP  12  11.637   4.329   8.405
  107    HE1  TRP  12           1HE      TRP  12  14.086   4.608   9.149
  108    HE3  TRP  12           3HE      TRP  12  11.610   1.161  12.400
  109    HZ2  TRP  12           2HZ      TRP  12  15.778   3.607  11.175
  110    HZ3  TRP  12           3HZ      TRP  12  13.684   0.878  13.698
  111    HH2  TRP  12           HH       TRP  12  15.724   2.077  13.096
  112    H    ALA  13           H        ALA  13   7.230   2.241   8.523
  113    HA   ALA  13           HA       ALA  13   6.391  -0.186   9.855
  114   1HB   ALA  13          1HB       ALA  13   5.278   1.952  10.320
  115   2HB   ALA  13          2HB       ALA  13   4.154   0.733   9.721
  116   3HB   ALA  13          3HB       ALA  13   4.720   2.013   8.647
  117    H    CYS  14           H        CYS  14   7.204   0.577   6.720
  118    HA   CYS  14           HA       CYS  14   5.177  -0.744   5.252
  119   1HB   CYS  14          2HB       CYS  14   8.068  -0.219   4.532
  120   2HB   CYS  14          1HB       CYS  14   6.842  -0.788   3.405
  121    HG   CYS  14           HG       CYS  14   6.190   2.078   5.077
  122    H    ARG  15           H        ARG  15   8.218  -1.860   6.681
  123    HA   ARG  15           HA       ARG  15   7.752  -4.547   5.716
  124   1HB   ARG  15          2HB       ARG  15   9.917  -3.276   7.349
  125   2HB   ARG  15          1HB       ARG  15   9.753  -5.028   7.311
  126   1HG   ARG  15          2HG       ARG  15   9.881  -4.907   4.826
  127   2HG   ARG  15          1HG       ARG  15  10.252  -3.190   4.985
  128   1HD   ARG  15          2HD       ARG  15  12.263  -3.672   6.190
  129   2HD   ARG  15          1HD       ARG  15  11.851  -5.384   6.290
  130    HE   ARG  15           HE       ARG  15  12.166  -4.214   3.629
  131   1HH1  ARG  15          1HH1      ARG  15  13.501  -6.186   6.209
  132   2HH1  ARG  15          2HH1      ARG  15  14.660  -6.977   5.180
  133   1HH2  ARG  15          1HH2      ARG  15  13.687  -5.270   2.269
  134   2HH2  ARG  15          2HH2      ARG  15  14.746  -6.477   2.935
  135    H    ARG  16           H        ARG  16   5.650  -4.716   6.702
  136    HA   ARG  16           HA       ARG  16   5.430  -4.909   9.553
  137   1HB   ARG  16          2HB       ARG  16   3.519  -4.313   8.081
  138   2HB   ARG  16          1HB       ARG  16   3.564  -5.932   7.398
  139   1HG   ARG  16          2HG       ARG  16   1.803  -5.753   9.038
  140   2HG   ARG  16          1HG       ARG  16   3.048  -6.868   9.600
  141   1HD   ARG  16          2HD       ARG  16   4.030  -4.970  10.903
  142   2HD   ARG  16          1HD       ARG  16   2.610  -4.020  10.468
  143    HE   ARG  16           HE       ARG  16   1.879  -6.504  11.648
  144   1HH1  ARG  16          1HH1      ARG  16   3.032  -3.272  12.410
  145   2HH1  ARG  16          2HH1      ARG  16   2.411  -3.314  14.034
  146   1HH2  ARG  16          1HH2      ARG  16   1.077  -6.548  13.767
  147   2HH2  ARG  16          2HH2      ARG  16   1.293  -5.163  14.803
  148    H    GLY  17           H        GLY  17   6.013  -7.106   6.901
  149   1HA   GLY  17          2HA       GLY  17   7.377  -9.022   8.327
  150   2HA   GLY  17          1HA       GLY  17   5.691  -9.522   8.381
  151    H    MET  18           H        MET  18   4.762  -8.828   5.946
  152    HA   MET  18           HA       MET  18   5.738 -10.846   4.232
  153   1HB   MET  18          2HB       MET  18   3.417  -9.854   4.253
  154   2HB   MET  18          1HB       MET  18   4.083  -8.444   3.441
  155   1HG   MET  18          2HG       MET  18   3.062  -9.842   1.808
  156   2HG   MET  18          1HG       MET  18   4.808  -9.922   1.587
  157   1HE   MET  18          1HE       MET  18   4.174 -12.067   0.007
  158   2HE   MET  18          2HE       MET  18   2.477 -11.982   0.481
  159   3HE   MET  18          3HE       MET  18   3.356 -13.504   0.624
  160    H    LEU  19           H        LEU  19   7.769 -10.741   3.488
  161    HA   LEU  19           HA       LEU  19   9.184  -8.322   3.105
  162   1HB   LEU  19          2HB       LEU  19   9.795 -11.137   2.220
  163   2HB   LEU  19          1HB       LEU  19  10.919  -9.801   2.110
  164    HG   LEU  19           HG       LEU  19   9.773 -10.919   4.666
  165   1HD1  LEU  19          1HD1      LEU  19  12.026 -11.721   5.085
  166   2HD1  LEU  19          2HD1      LEU  19  12.554 -11.094   3.524
  167   3HD1  LEU  19          3HD1      LEU  19  11.384 -12.411   3.594
  168   1HD2  LEU  19          1HD2      LEU  19  11.380  -9.436   5.776
  169   2HD2  LEU  19          2HD2      LEU  19  10.191  -8.528   4.842
  170   3HD2  LEU  19          3HD2      LEU  19  11.823  -8.752   4.211
  171    H    GLU  20           H        GLU  20   7.323 -10.362   0.976
  172    HA   GLU  20           HA       GLU  20   8.329  -9.377  -1.472
  173   1HB   GLU  20          2HB       GLU  20   5.586 -10.525  -0.915
  174   2HB   GLU  20          1HB       GLU  20   6.354 -10.377  -2.491
  175   1HG   GLU  20          2HG       GLU  20   8.180 -11.874  -1.619
  176   2HG   GLU  20          1HG       GLU  20   7.158 -12.160  -0.212
  177    H    LEU  21           H        LEU  21   6.231  -8.010   0.866
  178    HA   LEU  21           HA       LEU  21   5.023  -6.154  -1.021
  179   1HB   LEU  21          2HB       LEU  21   4.691  -6.504   1.953
  180   2HB   LEU  21          1HB       LEU  21   3.905  -5.233   1.037
  181    HG   LEU  21           HG       LEU  21   3.484  -8.201   0.686
  182   1HD1  LEU  21          1HD1      LEU  21   1.682  -6.036   1.755
  183   2HD1  LEU  21          2HD1      LEU  21   2.458  -7.306   2.701
  184   3HD1  LEU  21          3HD1      LEU  21   1.231  -7.722   1.503
  185   1HD2  LEU  21          1HD2      LEU  21   1.729  -7.563  -0.901
  186   2HD2  LEU  21          2HD2      LEU  21   3.322  -7.042  -1.452
  187   3HD2  LEU  21          3HD2      LEU  21   2.207  -5.872  -0.746
  188    H    ASP  22           H        ASP  22   7.887  -6.325   0.670
  189    HA   ASP  22           HA       ASP  22   8.217  -3.676   1.593
  190   1HB   ASP  22          2HB       ASP  22   9.768  -5.359   2.328
  191   2HB   ASP  22          1HB       ASP  22  10.229  -5.737   0.670
  192    H    VAL  23           H        VAL  23   8.845  -5.207  -1.513
  193    HA   VAL  23           HA       VAL  23   9.942  -2.836  -2.715
  194    HB   VAL  23           HB       VAL  23   8.944  -5.305  -4.138
  195   1HG1  VAL  23          1HG1      VAL  23   9.439  -3.397  -5.579
  196   2HG1  VAL  23          2HG1      VAL  23  10.598  -4.702  -5.832
  197   3HG1  VAL  23          3HG1      VAL  23  11.056  -3.285  -4.886
  198   1HG2  VAL  23          1HG2      VAL  23  11.259  -6.152  -3.977
  199   2HG2  VAL  23          2HG2      VAL  23  10.458  -6.041  -2.410
  200   3HG2  VAL  23          3HG2      VAL  23  11.643  -4.823  -2.882
  201    H    VAL  24           H        VAL  24   6.859  -3.838  -1.936
  202    HA   VAL  24           HA       VAL  24   5.574  -2.533  -4.220
  203    HB   VAL  24           HB       VAL  24   4.337  -4.143  -1.981
  204   1HG1  VAL  24          1HG1      VAL  24   3.121  -3.119  -4.543
  205   2HG1  VAL  24          2HG1      VAL  24   2.795  -2.500  -2.924
  206   3HG1  VAL  24          3HG1      VAL  24   2.321  -4.145  -3.351
  207   1HG2  VAL  24          1HG2      VAL  24   5.758  -5.510  -3.415
  208   2HG2  VAL  24          2HG2      VAL  24   4.920  -4.903  -4.843
  209   3HG2  VAL  24          3HG2      VAL  24   4.056  -5.896  -3.668
  210    H    ILE  25           H        ILE  25   5.206  -2.565  -0.663
  211    HA   ILE  25           HA       ILE  25   3.370  -0.452  -0.590
  212    HB   ILE  25           HB       ILE  25   5.222  -1.385   1.603
  213   1HG1  ILE  25          2HG1      ILE  25   2.364  -2.165   0.970
  214   2HG1  ILE  25          1HG1      ILE  25   3.782  -3.174   0.686
  215   1HG2  ILE  25          1HG2      ILE  25   4.326   0.807   2.106
  216   2HG2  ILE  25          2HG2      ILE  25   3.548  -0.404   3.124
  217   3HG2  ILE  25          3HG2      ILE  25   2.692   0.256   1.731
  218   1HD1  ILE  25          1HD1      ILE  25   2.768  -2.237   3.363
  219   2HD1  ILE  25          2HD1      ILE  25   4.208  -3.220   3.096
  220   3HD1  ILE  25          3HD1      ILE  25   2.617  -3.860   2.689
  221    H    MET  26           H        MET  26   6.902  -0.419  -0.328
  222    HA   MET  26           HA       MET  26   7.141   2.165   0.728
  223   1HB   MET  26          2HB       MET  26   8.962   0.535   0.777
  224   2HB   MET  26          1HB       MET  26   9.121   0.648  -0.971
  225   1HG   MET  26          2HG       MET  26   9.749   2.998  -0.764
  226   2HG   MET  26          1HG       MET  26   9.593   2.884   0.989
  227   1HE   MET  26          1HE       MET  26  12.011   3.705   1.518
  228   2HE   MET  26          2HE       MET  26  12.219   4.024  -0.204
  229   3HE   MET  26          3HE       MET  26  13.450   3.124   0.682
  230    HA   PRO  27           HA       PRO  27   7.665   3.942  -3.708
  231   1HB   PRO  27          2HB       PRO  27   6.784   1.863  -5.572
  232   2HB   PRO  27          1HB       PRO  27   8.272   2.811  -5.579
  233   1HG   PRO  27          2HG       PRO  27   8.251   0.176  -5.007
  234   2HG   PRO  27          1HG       PRO  27   9.402   1.301  -4.262
  235   1HD   PRO  27          2HD       PRO  27   6.873   0.153  -3.132
  236   2HD   PRO  27          1HD       PRO  27   8.452   0.387  -2.350
  237    H    PHE  28           H        PHE  28   5.085   1.510  -3.409
  238    HA   PHE  28           HA       PHE  28   3.130   2.946  -4.832
  239   1HB   PHE  28          2HB       PHE  28   3.084   0.657  -2.949
  240   2HB   PHE  28          1HB       PHE  28   1.572   1.535  -3.172
  241    HD1  PHE  28           2HD      PHE  28   4.167  -0.449  -4.863
  242    HD2  PHE  28           1HD      PHE  28   0.358   1.413  -5.203
  243    HE1  PHE  28           2HE      PHE  28   3.775  -1.655  -6.968
  244    HE2  PHE  28           1HE      PHE  28  -0.041   0.214  -7.312
  245    HZ   PHE  28           HZ       PHE  28   1.670  -1.322  -8.197
  246    H    PHE  29           H        PHE  29   4.121   3.066  -1.455
  247    HA   PHE  29           HA       PHE  29   2.137   4.736  -0.453
  248   1HB   PHE  29          2HB       PHE  29   3.711   3.897   1.104
  249   2HB   PHE  29          1HB       PHE  29   5.078   4.506   0.177
  250    HD1  PHE  29           1HD      PHE  29   2.032   5.784   1.922
  251    HD2  PHE  29           2HD      PHE  29   6.124   6.406   0.926
  252    HE1  PHE  29           1HE      PHE  29   2.049   7.831   3.282
  253    HE2  PHE  29           2HE      PHE  29   6.145   8.457   2.286
  254    HZ   PHE  29           HZ       PHE  29   4.106   9.171   3.464
  255    H    GLU  30           H        GLU  30   5.140   5.575  -2.148
  256    HA   GLU  30           HA       GLU  30   4.744   8.368  -2.066
  257   1HB   GLU  30          2HB       GLU  30   6.357   6.700  -4.003
  258   2HB   GLU  30          1HB       GLU  30   6.482   8.441  -3.819
  259   1HG   GLU  30          2HG       GLU  30   6.803   7.607  -1.272
  260   2HG   GLU  30          1HG       GLU  30   7.561   6.294  -2.164
  261    H    GLU  31           H        GLU  31   3.766   5.883  -4.317
  262    HA   GLU  31           HA       GLU  31   2.804   7.607  -6.347
  263   1HB   GLU  31          2HB       GLU  31   1.932   4.784  -5.711
  264   2HB   GLU  31          1HB       GLU  31   1.595   5.650  -7.203
  265   1HG   GLU  31          2HG       GLU  31   4.088   5.832  -7.520
  266   2HG   GLU  31          1HG       GLU  31   4.251   4.695  -6.183
  267    H    CYS  32           H        CYS  32   1.111   5.946  -3.673
  268    HA   CYS  32           HA       CYS  32  -1.414   7.083  -4.388
  269   1HB   CYS  32          2HB       CYS  32  -2.203   6.149  -2.224
  270   2HB   CYS  32          1HB       CYS  32  -1.404   4.966  -3.250
  271    HG   CYS  32           HG       CYS  32   0.843   4.714  -1.779
  272    H    PHE  33           H        PHE  33   1.095   7.897  -2.042
  273    HA   PHE  33           HA       PHE  33  -0.127   9.902  -0.587
  274   1HB   PHE  33          2HB       PHE  33   2.086   9.224  -0.002
  275   2HB   PHE  33          1HB       PHE  33   2.703   9.594  -1.605
  276    HD1  PHE  33           1HD      PHE  33   1.688  10.996   1.629
  277    HD2  PHE  33           2HD      PHE  33   3.335  11.830  -2.205
  278    HE1  PHE  33           1HE      PHE  33   2.432  13.201   2.425
  279    HE2  PHE  33           2HE      PHE  33   4.083  14.033  -1.412
  280    HZ   PHE  33           HZ       PHE  33   3.631  14.723   0.906
  281    H    ASP  34           H        ASP  34   1.144   9.968  -3.825
  282    HA   ASP  34           HA       ASP  34   1.069  12.770  -4.230
  283   1HB   ASP  34          2HB       ASP  34   2.306  10.887  -5.547
  284   2HB   ASP  34          1HB       ASP  34   0.797  10.751  -6.444
  285    H    SER  35           H        SER  35  -1.375  10.398  -4.094
  286    HA   SER  35           HA       SER  35  -3.200  12.040  -5.727
  287   1HB   SER  35          2HB       SER  35  -3.380   9.058  -5.278
  288   2HB   SER  35          1HB       SER  35  -4.299  10.025  -6.432
  289    HG   SER  35           HG       SER  35  -1.475   9.689  -6.467
  290    H    LEU  36           H        LEU  36  -2.578  11.133  -2.584
  291    HA   LEU  36           HA       LEU  36  -5.438  11.039  -1.876
  292   1HB   LEU  36          2HB       LEU  36  -3.066  10.076  -0.271
  293   2HB   LEU  36          1HB       LEU  36  -4.744   9.970   0.220
  294    HG   LEU  36           HG       LEU  36  -3.459   8.501  -2.081
  295   1HD1  LEU  36          1HD1      LEU  36  -2.859   7.630   0.115
  296   2HD1  LEU  36          2HD1      LEU  36  -3.917   6.512  -0.745
  297   3HD1  LEU  36          3HD1      LEU  36  -4.566   7.521   0.548
  298   1HD2  LEU  36          1HD2      LEU  36  -5.765   9.112  -2.612
  299   2HD2  LEU  36          2HD2      LEU  36  -6.309   8.421  -1.084
  300   3HD2  LEU  36          3HD2      LEU  36  -5.621   7.378  -2.329
  301    H    THR  37           H        THR  37  -5.690  11.784   0.559
  302    HA   THR  37           HA       THR  37  -3.996  14.116   1.086
  303    HB   THR  37           HB       THR  37  -6.266  15.141   2.018
  304    HG1  THR  37           1HG      THR  37  -7.244  13.058   0.870
  305   1HG2  THR  37          1HG2      THR  37  -6.454  16.433  -0.048
  306   2HG2  THR  37          2HG2      THR  37  -5.460  15.243  -0.889
  307   3HG2  THR  37          3HG2      THR  37  -4.766  16.215   0.409
  308    H    GLU  38           H        GLU  38  -4.954  14.991   3.429
  309    HA   GLU  38           HA       GLU  38  -3.646  13.322   5.204
  310   1HB   GLU  38          2HB       GLU  38  -5.796  15.346   5.875
  311   2HB   GLU  38          1HB       GLU  38  -4.565  14.741   6.971
  312   1HG   GLU  38          2HG       GLU  38  -3.874  16.195   4.439
  313   2HG   GLU  38          1HG       GLU  38  -4.207  17.038   5.947
  314    H    SER  39           H        SER  39  -7.144  13.586   4.637
  315    HA   SER  39           HA       SER  39  -8.042  11.988   6.715
  316   1HB   SER  39          2HB       SER  39  -9.958  11.523   4.987
  317   2HB   SER  39          1HB       SER  39  -9.709  13.155   5.606
  318    HG   SER  39           HG       SER  39  -9.358  12.147   3.052
  319    H    GLU  40           H        GLU  40  -7.262  11.011   3.374
  320    HA   GLU  40           HA       GLU  40  -7.703   8.231   3.842
  321   1HB   GLU  40          2HB       GLU  40  -6.144   9.621   1.651
  322   2HB   GLU  40          1HB       GLU  40  -6.579   7.924   1.645
  323   1HG   GLU  40          2HG       GLU  40  -8.107   9.016   0.232
  324   2HG   GLU  40          1HG       GLU  40  -8.984   8.650   1.718
  325    H    GLN  41           H        GLN  41  -4.879  10.308   3.711
  326    HA   GLN  41           HA       GLN  41  -2.875   8.386   3.886
  327   1HB   GLN  41          2HB       GLN  41  -3.035  11.275   4.694
  328   2HB   GLN  41          1HB       GLN  41  -1.552  10.357   4.889
  329   1HG   GLN  41          2HG       GLN  41  -1.478   9.909   2.514
  330   2HG   GLN  41          1HG       GLN  41  -3.031  10.712   2.289
  331   1HE2  GLN  41          1HE2      GLN  41  -2.318  12.806   4.236
  332   2HE2  GLN  41          2HE2      GLN  41  -1.223  13.852   3.414
  333    H    ASP  42           H        ASP  42  -4.678  10.017   6.453
  334    HA   ASP  42           HA       ASP  42  -3.156   8.976   8.612
  335   1HB   ASP  42          2HB       ASP  42  -4.664  10.932   8.814
  336   2HB   ASP  42          1HB       ASP  42  -6.050   9.874   8.580
  337    H    ASP  43           H        ASP  43  -6.092   7.900   6.986
  338    HA   ASP  43           HA       ASP  43  -6.659   5.696   8.674
  339   1HB   ASP  43          2HB       ASP  43  -8.100   6.917   6.842
  340   2HB   ASP  43          1HB       ASP  43  -7.392   5.715   5.767
  341    H    PHE  44           H        PHE  44  -4.723   6.122   5.793
  342    HA   PHE  44           HA       PHE  44  -4.067   3.432   5.298
  343   1HB   PHE  44          2HB       PHE  44  -3.723   5.181   3.639
  344   2HB   PHE  44          1HB       PHE  44  -2.562   5.985   4.686
  345    HD1  PHE  44           1HD      PHE  44  -3.121   2.721   2.971
  346    HD2  PHE  44           2HD      PHE  44  -0.321   5.602   4.369
  347    HE1  PHE  44           1HE      PHE  44  -1.296   1.465   1.896
  348    HE2  PHE  44           2HE      PHE  44   1.508   4.354   3.299
  349    HZ   PHE  44           HZ       PHE  44   1.023   2.283   2.060
  350    H    VAL  45           H        VAL  45  -2.316   5.965   7.099
  351    HA   VAL  45           HA       VAL  45  -0.138   4.368   7.873
  352    HB   VAL  45           HB       VAL  45  -1.313   6.765   9.293
  353   1HG1  VAL  45          1HG1      VAL  45   1.383   5.451   9.612
  354   2HG1  VAL  45          2HG1      VAL  45   0.088   5.485  10.809
  355   3HG1  VAL  45          3HG1      VAL  45   0.900   6.981  10.344
  356   1HG2  VAL  45          1HG2      VAL  45  -0.619   7.261   7.012
  357   2HG2  VAL  45          2HG2      VAL  45   0.963   6.547   7.326
  358   3HG2  VAL  45          3HG2      VAL  45   0.474   8.014   8.174
  359    H    ALA  46           H        ALA  46  -3.213   5.050   9.504
  360    HA   ALA  46           HA       ALA  46  -2.710   3.681  11.889
  361   1HB   ALA  46          1HB       ALA  46  -4.624   5.182  11.512
  362   2HB   ALA  46          2HB       ALA  46  -5.104   3.631  12.199
  363   3HB   ALA  46          3HB       ALA  46  -5.361   3.953  10.484
  364    H    LEU  47           H        LEU  47  -3.915   2.492   8.786
  365    HA   LEU  47           HA       LEU  47  -4.578  -0.108   9.692
  366   1HB   LEU  47          2HB       LEU  47  -5.438   0.901   7.596
  367   2HB   LEU  47          1HB       LEU  47  -3.836   0.764   6.900
  368    HG   LEU  47           HG       LEU  47  -3.962  -1.692   7.109
  369   1HD1  LEU  47          1HD1      LEU  47  -6.095  -2.754   7.648
  370   2HD1  LEU  47          2HD1      LEU  47  -6.781  -1.177   8.037
  371   3HD1  LEU  47          3HD1      LEU  47  -5.466  -1.832   9.013
  372   1HD2  LEU  47          1HD2      LEU  47  -4.640  -0.594   5.031
  373   2HD2  LEU  47          2HD2      LEU  47  -6.292  -0.470   5.638
  374   3HD2  LEU  47          3HD2      LEU  47  -5.583  -2.055   5.328
  375    H    LEU  48           H        LEU  48  -1.631   1.324   8.429
  376    HA   LEU  48           HA       LEU  48  -0.218  -1.060   7.925
  377   1HB   LEU  48          2HB       LEU  48   0.822   1.686   8.618
  378   2HB   LEU  48          1HB       LEU  48   1.810   0.367   8.021
  379    HG   LEU  48           HG       LEU  48  -0.429   1.720   6.513
  380   1HD1  LEU  48          1HD1      LEU  48   1.364   2.562   5.087
  381   2HD1  LEU  48          2HD1      LEU  48   2.561   1.806   6.139
  382   3HD1  LEU  48          3HD1      LEU  48   1.552   3.118   6.750
  383   1HD2  LEU  48          1HD2      LEU  48  -0.250  -0.640   5.931
  384   2HD2  LEU  48          2HD2      LEU  48   1.482  -0.452   5.657
  385   3HD2  LEU  48          3HD2      LEU  48   0.329   0.379   4.612
  386    H    GLU  49           H        GLU  49  -0.935   0.591  10.864
  387    HA   GLU  49           HA       GLU  49   1.200  -0.593  12.374
  388   1HB   GLU  49          2HB       GLU  49  -1.311   0.822  13.267
  389   2HB   GLU  49          1HB       GLU  49  -0.045   0.269  14.353
  390   1HG   GLU  49          2HG       GLU  49   1.530   1.709  12.931
  391   2HG   GLU  49          1HG       GLU  49   0.054   2.459  12.318
  392    H    SER  50           H        SER  50  -1.716  -1.742  11.168
  393    HA   SER  50           HA       SER  50  -2.044  -3.710  13.322
  394   1HB   SER  50          2HB       SER  50  -3.822  -3.133  10.935
  395   2HB   SER  50          1HB       SER  50  -4.202  -4.208  12.283
  396    HG   SER  50           HG       SER  50  -3.589  -1.471  12.664
  397    H    ASP  51           H        ASP  51  -2.622  -5.956  12.550
  398    HA   ASP  51           HA       ASP  51  -0.642  -7.024  10.824
  399   1HB   ASP  51          2HB       ASP  51  -1.797  -8.237  12.728
  400   2HB   ASP  51          1HB       ASP  51  -3.214  -8.363  11.692
  401    H    ASP  52           H        ASP  52  -1.190  -8.327   8.814
  402    HA   ASP  52           HA       ASP  52  -3.047  -6.680   7.220
  403   1HB   ASP  52          2HB       ASP  52  -1.446  -6.922   5.354
  404   2HB   ASP  52          1HB       ASP  52  -0.733  -6.123   6.753
  405    HA   PRO  53           HA       PRO  53  -4.054 -11.095   6.047
  406   1HB   PRO  53          2HB       PRO  53  -6.307 -11.441   7.677
  407   2HB   PRO  53          1HB       PRO  53  -4.725 -12.179   7.921
  408   1HG   PRO  53          2HG       PRO  53  -5.977 -10.236   9.557
  409   2HG   PRO  53          1HG       PRO  53  -4.324 -10.851   9.695
  410   1HD   PRO  53          2HD       PRO  53  -5.307  -8.325   8.510
  411   2HD   PRO  53          1HD       PRO  53  -3.726  -8.704   9.222
  412    H    ASP  54           H        ASP  54  -6.527  -8.853   7.272
  413    HA   ASP  54           HA       ASP  54  -8.297  -9.216   5.075
  414   1HB   ASP  54          2HB       ASP  54  -9.480  -7.242   6.029
  415   2HB   ASP  54          1HB       ASP  54  -9.184  -8.510   7.209
  416    H    LEU  55           H        LEU  55  -5.715  -6.988   5.850
  417    HA   LEU  55           HA       LEU  55  -6.062  -5.140   3.776
  418   1HB   LEU  55          2HB       LEU  55  -4.457  -5.030   5.742
  419   2HB   LEU  55          1HB       LEU  55  -3.419  -6.127   4.860
  420    HG   LEU  55           HG       LEU  55  -4.226  -3.463   3.708
  421   1HD1  LEU  55          1HD1      LEU  55  -3.203  -3.048   5.884
  422   2HD1  LEU  55          2HD1      LEU  55  -2.132  -2.558   4.570
  423   3HD1  LEU  55          3HD1      LEU  55  -1.832  -4.064   5.439
  424   1HD2  LEU  55          1HD2      LEU  55  -3.246  -5.112   2.172
  425   2HD2  LEU  55          2HD2      LEU  55  -1.841  -5.251   3.229
  426   3HD2  LEU  55          3HD2      LEU  55  -2.183  -3.726   2.412
  427    H    PHE  56           H        PHE  56  -4.126  -8.135   3.886
  428    HA   PHE  56           HA       PHE  56  -3.301  -8.078   1.192
  429   1HB   PHE  56          2HB       PHE  56  -2.371  -9.509   3.093
  430   2HB   PHE  56          1HB       PHE  56  -3.744 -10.576   2.830
  431    HD1  PHE  56           1HD      PHE  56  -0.673  -9.223   1.318
  432    HD2  PHE  56           2HD      PHE  56  -3.787 -12.109   1.028
  433    HE1  PHE  56           1HE      PHE  56   0.589 -10.400  -0.432
  434    HE2  PHE  56           2HE      PHE  56  -2.533 -13.291  -0.729
  435    HZ   PHE  56           HZ       PHE  56  -0.341 -12.436  -1.461
  436    H    ALA  57           H        ALA  57  -6.184  -9.227   2.763
  437    HA   ALA  57           HA       ALA  57  -7.216 -10.897   0.768
  438   1HB   ALA  57          1HB       ALA  57  -8.071 -10.808   3.067
  439   2HB   ALA  57          2HB       ALA  57  -9.354 -10.624   1.870
  440   3HB   ALA  57          3HB       ALA  57  -8.751  -9.213   2.737
  441    H    TRP  58           H        TRP  58  -7.710  -7.399   1.290
  442    HA   TRP  58           HA       TRP  58  -9.478  -7.223  -0.932
  443   1HB   TRP  58          2HB       TRP  58  -8.161  -5.139   0.777
  444   2HB   TRP  58          1HB       TRP  58  -9.125  -4.709  -0.636
  445    HD1  TRP  58           HD       TRP  58  -9.538  -6.817   2.564
  446    HE1  TRP  58           1HE      TRP  58 -11.970  -6.605   3.363
  447    HE3  TRP  58           3HE      TRP  58 -11.371  -3.915  -1.233
  448    HZ2  TRP  58           2HZ      TRP  58 -14.353  -5.376   2.489
  449    HZ3  TRP  58           3HZ      TRP  58 -13.754  -3.273  -1.176
  450    HH2  TRP  58           HH       TRP  58 -15.210  -3.993   0.649
  451    H    VAL  59           H        VAL  59  -6.034  -6.859  -0.496
  452    HA   VAL  59           HA       VAL  59  -5.468  -5.648  -2.989
  453    HB   VAL  59           HB       VAL  59  -3.717  -7.473  -1.324
  454   1HG1  VAL  59          1HG1      VAL  59  -2.984  -5.587  -3.556
  455   2HG1  VAL  59          2HG1      VAL  59  -2.934  -7.349  -3.621
  456   3HG1  VAL  59          3HG1      VAL  59  -1.844  -6.475  -2.544
  457   1HG2  VAL  59          1HG2      VAL  59  -2.683  -5.374  -0.555
  458   2HG2  VAL  59          2HG2      VAL  59  -4.377  -5.508  -0.086
  459   3HG2  VAL  59          3HG2      VAL  59  -3.914  -4.467  -1.433
  460    H    MET  60           H        MET  60  -5.633  -9.046  -1.966
  461    HA   MET  60           HA       MET  60  -5.033 -10.035  -4.601
  462   1HB   MET  60          2HB       MET  60  -5.425 -12.248  -3.662
  463   2HB   MET  60          1HB       MET  60  -4.410 -11.299  -2.588
  464   1HG   MET  60          2HG       MET  60  -6.382 -10.812  -1.197
  465   2HG   MET  60          1HG       MET  60  -7.350 -11.846  -2.245
  466   1HE   MET  60          1HE       MET  60  -6.991 -14.477  -2.459
  467   2HE   MET  60          2HE       MET  60  -5.719 -15.361  -1.614
  468   3HE   MET  60          3HE       MET  60  -5.301 -14.208  -2.882
  469    H    GLY  61           H        GLY  61  -7.873  -8.996  -2.990
  470   1HA   GLY  61          2HA       GLY  61  -9.940  -8.610  -4.009
  471   2HA   GLY  61          1HA       GLY  61  -9.424  -9.596  -5.370
  472    H    HIS  62           H        HIS  62  -9.431 -10.467  -1.959
  473    HA   HIS  62           HA       HIS  62 -11.750 -12.173  -2.250
  474   1HB   HIS  62          2HB       HIS  62  -9.847 -13.541  -3.146
  475   2HB   HIS  62          1HB       HIS  62  -9.052 -13.386  -1.586
  476    HD1  HIS  62           1HD      HIS  62  -9.850 -14.909   0.309
  477    HD2  HIS  62           2HD      HIS  62 -12.124 -15.244  -3.165
  478    HE1  HIS  62           1HE      HIS  62 -11.284 -16.951   0.626
  479    HE2  HIS  62           2HE      HIS  62 -12.592 -17.188  -1.513
  480    H    GLY  63           H        GLY  63 -12.579 -10.838  -0.580
  481   1HA   GLY  63          2HA       GLY  63 -12.347 -11.774   1.996
  482   2HA   GLY  63          1HA       GLY  63 -11.142 -10.503   1.880
  483    H    ARG  64           H        ARG  64 -12.671  -9.829   3.695
  484    HA   ARG  64           HA       ARG  64 -14.555  -7.871   2.593
  485   1HB   ARG  64          2HB       ARG  64 -16.184  -8.424   4.393
  486   2HB   ARG  64          1HB       ARG  64 -15.956  -9.739   3.247
  487   1HG   ARG  64          2HG       ARG  64 -14.398 -10.809   4.833
  488   2HG   ARG  64          1HG       ARG  64 -14.745  -9.528   5.995
  489   1HD   ARG  64          2HD       ARG  64 -17.079 -10.174   6.047
  490   2HD   ARG  64          1HD       ARG  64 -16.786 -11.403   4.815
  491    HE   ARG  64           HE       ARG  64 -15.182 -11.653   7.217
  492   1HH1  ARG  64          1HH1      ARG  64 -18.136 -12.583   5.561
  493   2HH1  ARG  64          2HH1      ARG  64 -18.362 -14.015   6.516
  494   1HH2  ARG  64          1HH2      ARG  64 -15.471 -13.559   8.450
  495   2HH2  ARG  64          2HH2      ARG  64 -16.874 -14.556   8.171
  496    H    CYS  65           H        CYS  65 -15.235  -6.309   4.414
  497    HA   CYS  65           HA       CYS  65 -13.426  -6.067   6.635
  498   1HB   CYS  65          2HB       CYS  65 -12.103  -5.103   4.747
  499   2HB   CYS  65          1HB       CYS  65 -13.382  -3.919   4.501
  500    HG   CYS  65           HG       CYS  65 -11.353  -4.192   7.242
  501    H    GLU  66           H        GLU  66 -14.005  -4.177   7.994
  502    HA   GLU  66           HA       GLU  66 -16.888  -3.972   8.060
  503   1HB   GLU  66          2HB       GLU  66 -14.830  -2.922  10.003
  504   2HB   GLU  66          1HB       GLU  66 -16.566  -2.952  10.262
  505   1HG   GLU  66          2HG       GLU  66 -14.706  -5.295  10.040
  506   2HG   GLU  66          1HG       GLU  66 -15.612  -4.769  11.456
  507    H    ASN  67           H        ASN  67 -14.142  -1.865   7.414
  508    HA   ASN  67           HA       ASN  67 -16.049   0.364   7.088
  509   1HB   ASN  67          2HB       ASN  67 -14.351   0.536   8.999
  510   2HB   ASN  67          1HB       ASN  67 -13.124   0.705   7.749
  511   1HD2  ASN  67          1HD2      ASN  67 -13.978   2.573   9.816
  512   2HD2  ASN  67          2HD2      ASN  67 -14.478   4.015   9.000
  513    H    LEU  68           H        LEU  68 -16.263   1.050   5.088
  514    HA   LEU  68           HA       LEU  68 -14.632  -0.017   2.987
  515   1HB   LEU  68          2HB       LEU  68 -16.889   1.974   2.998
  516   2HB   LEU  68          1HB       LEU  68 -16.085   1.440   1.538
  517    HG   LEU  68           HG       LEU  68 -17.671  -0.285   3.441
  518   1HD1  LEU  68          1HD1      LEU  68 -19.195  -0.542   1.550
  519   2HD1  LEU  68          2HD1      LEU  68 -18.202   0.563   0.598
  520   3HD1  LEU  68          3HD1      LEU  68 -19.047   1.148   2.031
  521   1HD2  LEU  68          1HD2      LEU  68 -15.777  -1.524   2.531
  522   2HD2  LEU  68          2HD2      LEU  68 -16.237  -1.043   0.898
  523   3HD2  LEU  68          3HD2      LEU  68 -17.297  -2.093   1.839
  524    H    GLY  69           H        GLY  69 -14.416   2.755   4.930
  525   1HA   GLY  69          2HA       GLY  69 -13.226   4.617   3.206
  526   2HA   GLY  69          1HA       GLY  69 -12.909   4.497   4.934
  527    H    LEU  70           H        LEU  70 -11.842   1.899   4.958
  528    HA   LEU  70           HA       LEU  70  -9.153   2.329   4.193
  529   1HB   LEU  70          2HB       LEU  70 -10.685  -0.088   5.136
  530   2HB   LEU  70          1HB       LEU  70  -8.984  -0.183   4.712
  531    HG   LEU  70           HG       LEU  70 -10.061   1.683   6.831
  532   1HD1  LEU  70          1HD1      LEU  70  -8.815  -1.049   7.144
  533   2HD1  LEU  70          2HD1      LEU  70 -10.499  -0.635   7.467
  534   3HD1  LEU  70          3HD1      LEU  70  -9.215   0.062   8.455
  535   1HD2  LEU  70          1HD2      LEU  70  -7.276   0.735   6.172
  536   2HD2  LEU  70          2HD2      LEU  70  -7.717   1.775   7.526
  537   3HD2  LEU  70          3HD2      LEU  70  -7.927   2.345   5.870
  538    H    ALA  71           H        ALA  71 -11.854   0.662   2.722
  539    HA   ALA  71           HA       ALA  71 -10.373  -0.730   0.740
  540   1HB   ALA  71          1HB       ALA  71 -12.540  -1.129  -0.303
  541   2HB   ALA  71          2HB       ALA  71 -13.282   0.049   0.780
  542   3HB   ALA  71          3HB       ALA  71 -12.596  -1.440   1.431
  543    H    ALA  72           H        ALA  72 -11.768   2.461   0.919
  544    HA   ALA  72           HA       ALA  72 -11.955   3.132  -1.775
  545   1HB   ALA  72          1HB       ALA  72 -11.287   4.940   0.551
  546   2HB   ALA  72          2HB       ALA  72 -12.906   4.499   0.007
  547   3HB   ALA  72          3HB       ALA  72 -11.861   5.466  -1.033
  548    H    MET  73           H        MET  73  -9.167   3.445   0.420
  549    HA   MET  73           HA       MET  73  -7.515   4.655  -1.578
  550   1HB   MET  73          2HB       MET  73  -5.701   4.435   0.006
  551   2HB   MET  73          1HB       MET  73  -7.138   5.026   0.828
  552   1HG   MET  73          2HG       MET  73  -7.574   2.735   1.637
  553   2HG   MET  73          1HG       MET  73  -6.063   2.218   0.889
  554   1HE   MET  73          1HE       MET  73  -5.250   1.226   3.175
  555   2HE   MET  73          2HE       MET  73  -6.722   1.751   3.991
  556   3HE   MET  73          3HE       MET  73  -5.144   2.143   4.678
  557    H    VAL  74           H        VAL  74  -8.227   1.386  -0.615
  558    HA   VAL  74           HA       VAL  74  -6.003   0.083  -1.757
  559    HB   VAL  74           HB       VAL  74  -8.825  -0.953  -1.396
  560   1HG1  VAL  74          1HG1      VAL  74  -7.559  -2.276  -3.031
  561   2HG1  VAL  74          2HG1      VAL  74  -7.859  -3.183  -1.549
  562   3HG1  VAL  74          3HG1      VAL  74  -6.267  -2.487  -1.849
  563   1HG2  VAL  74          1HG2      VAL  74  -7.937  -2.006   0.631
  564   2HG2  VAL  74          2HG2      VAL  74  -7.803  -0.248   0.698
  565   3HG2  VAL  74          3HG2      VAL  74  -6.379  -1.228   0.347
  566    H    ASP  75           H        ASP  75  -9.115   1.090  -3.080
  567    HA   ASP  75           HA       ASP  75  -9.005  -0.051  -5.609
  568   1HB   ASP  75          2HB       ASP  75 -10.994   1.094  -4.903
  569   2HB   ASP  75          1HB       ASP  75 -10.126   2.612  -4.717
  570    H    LYS  76           H        LYS  76  -7.528   2.918  -4.422
  571    HA   LYS  76           HA       LYS  76  -6.574   3.805  -6.943
  572   1HB   LYS  76          2HB       LYS  76  -5.441   4.531  -4.238
  573   2HB   LYS  76          1HB       LYS  76  -5.367   5.479  -5.720
  574   1HG   LYS  76          2HG       LYS  76  -7.784   4.908  -4.020
  575   2HG   LYS  76          1HG       LYS  76  -7.017   6.466  -4.329
  576   1HD   LYS  76          2HD       LYS  76  -7.766   6.518  -6.558
  577   2HD   LYS  76          1HD       LYS  76  -8.168   4.801  -6.545
  578   1HE   LYS  76          2HE       LYS  76  -9.889   5.371  -4.768
  579   2HE   LYS  76          1HE       LYS  76  -9.604   7.062  -5.187
  580   1HZ   LYS  76          1HZ       LYS  76 -10.465   4.951  -7.087
  581   2HZ   LYS  76          2HZ       LYS  76 -10.267   6.599  -7.442
  582   3HZ   LYS  76          3HZ       LYS  76 -11.492   6.101  -6.382
  583    H    ILE  77           H        ILE  77  -5.169   1.933  -4.310
  584    HA   ILE  77           HA       ILE  77  -2.566   1.706  -5.357
  585    HB   ILE  77           HB       ILE  77  -4.100  -0.203  -3.582
  586   1HG1  ILE  77          2HG1      ILE  77  -3.779   2.014  -2.593
  587   2HG1  ILE  77          1HG1      ILE  77  -2.789   0.814  -1.763
  588   1HG2  ILE  77          1HG2      ILE  77  -1.148  -0.127  -4.196
  589   2HG2  ILE  77          2HG2      ILE  77  -2.285  -1.387  -4.675
  590   3HG2  ILE  77          3HG2      ILE  77  -1.912  -1.140  -2.969
  591   1HD1  ILE  77          1HD1      ILE  77  -1.814   2.764  -3.844
  592   2HD1  ILE  77          2HD1      ILE  77  -0.830   1.586  -2.973
  593   3HD1  ILE  77          3HD1      ILE  77  -1.597   2.911  -2.099
  594    H    VAL  78           H        VAL  78  -5.373  -0.463  -5.611
  595    HA   VAL  78           HA       VAL  78  -4.161  -2.383  -7.264
  596    HB   VAL  78           HB       VAL  78  -7.087  -1.651  -7.033
  597   1HG1  VAL  78          1HG1      VAL  78  -6.635  -2.874  -9.103
  598   2HG1  VAL  78          2HG1      VAL  78  -7.544  -3.862  -7.960
  599   3HG1  VAL  78          3HG1      VAL  78  -5.816  -4.135  -8.180
  600   1HG2  VAL  78          1HG2      VAL  78  -7.198  -3.604  -5.538
  601   2HG2  VAL  78          2HG2      VAL  78  -6.114  -2.359  -4.915
  602   3HG2  VAL  78          3HG2      VAL  78  -5.451  -3.801  -5.684
  603    H    ALA  79           H        ALA  79  -6.035   0.520  -8.062
  604    HA   ALA  79           HA       ALA  79  -6.175   0.140 -10.833
  605   1HB   ALA  79          1HB       ALA  79  -7.479   1.828  -9.628
  606   2HB   ALA  79          2HB       ALA  79  -6.596   2.528 -10.985
  607   3HB   ALA  79          3HB       ALA  79  -6.005   2.753  -9.339
  608    H    HIS  80           H        HIS  80  -3.726   1.797  -8.873
  609    HA   HIS  80           HA       HIS  80  -2.153   2.600 -11.114
  610   1HB   HIS  80          2HB       HIS  80  -2.227   3.294  -8.461
  611   2HB   HIS  80          1HB       HIS  80  -0.748   2.341  -8.545
  612    HD1  HIS  80           1HD      HIS  80   1.195   3.858  -8.808
  613    HD2  HIS  80           2HD      HIS  80  -2.137   5.208 -10.917
  614    HE1  HIS  80           1HE      HIS  80   1.922   5.979  -9.965
  615    HE2  HIS  80           2HE      HIS  80  -0.075   6.724 -11.311
  616    H    ASN  81           H        ASN  81  -2.152  -0.130  -8.928
  617    HA   ASN  81           HA       ASN  81   0.303  -1.278  -9.765
  618   1HB   ASN  81          2HB       ASN  81  -0.888  -1.787  -7.622
  619   2HB   ASN  81          1HB       ASN  81  -2.093  -2.669  -8.553
  620   1HD2  ASN  81          1HD2      ASN  81  -1.677  -4.607  -7.572
  621   2HD2  ASN  81          2HD2      ASN  81  -0.221  -5.499  -7.833
  622    H    LEU  82           H        LEU  82  -2.994  -1.522 -10.920
  623    HA   LEU  82           HA       LEU  82  -2.936  -3.972 -12.200
  624   1HB   LEU  82          2HB       LEU  82  -4.805  -2.118 -11.816
  625   2HB   LEU  82          1HB       LEU  82  -4.413  -1.726 -13.476
  626    HG   LEU  82           HG       LEU  82  -5.284  -4.471 -12.567
  627   1HD1  LEU  82          1HD1      LEU  82  -7.459  -3.922 -13.522
  628   2HD1  LEU  82          2HD1      LEU  82  -6.912  -2.276 -13.838
  629   3HD1  LEU  82          3HD1      LEU  82  -7.062  -2.852 -12.177
  630   1HD2  LEU  82          1HD2      LEU  82  -5.697  -4.847 -14.951
  631   2HD2  LEU  82          2HD2      LEU  82  -4.001  -4.471 -14.642
  632   3HD2  LEU  82          3HD2      LEU  82  -5.069  -3.239 -15.314
  633    H    SER  83           H        SER  83  -1.846  -0.828 -13.420
  634    HA   SER  83           HA       SER  83  -1.594  -1.666 -16.111
  635   1HB   SER  83          2HB       SER  83  -0.183   0.409 -16.346
  636   2HB   SER  83          1HB       SER  83  -1.786   0.679 -15.662
  637    HG   SER  83           HG       SER  83  -0.357   1.773 -14.382
  638    H    LYS  84           H        LYS  84   0.788  -1.330 -13.501
  639    HA   LYS  84           HA       LYS  84   2.982  -2.199 -15.089
  640   1HB   LYS  84          2HB       LYS  84   4.192  -2.371 -12.923
  641   2HB   LYS  84          1HB       LYS  84   3.398  -0.821 -13.154
  642   1HG   LYS  84          2HG       LYS  84   1.513  -1.682 -11.752
  643   2HG   LYS  84          1HG       LYS  84   2.516  -3.085 -11.390
  644   1HD   LYS  84          2HD       LYS  84   2.726  -1.482  -9.603
  645   2HD   LYS  84          1HD       LYS  84   4.249  -1.563 -10.489
  646   1HE   LYS  84          2HE       LYS  84   3.738   0.481 -11.656
  647   2HE   LYS  84          1HE       LYS  84   2.125   0.532 -10.947
  648   1HZ   LYS  84          1HZ       LYS  84   4.559   0.572  -9.260
  649   2HZ   LYS  84          2HZ       LYS  84   2.989   1.065  -8.858
  650   3HZ   LYS  84          3HZ       LYS  84   3.921   1.994  -9.918
  651    H    VAL  85           H        VAL  85   0.524  -3.852 -13.285
  652    HA   VAL  85           HA       VAL  85   1.860  -6.390 -13.178
  653    HB   VAL  85           HB       VAL  85  -1.086  -5.722 -12.979
  654   1HG1  VAL  85          1HG1      VAL  85   0.341  -8.315 -12.377
  655   2HG1  VAL  85          2HG1      VAL  85  -0.787  -8.032 -13.703
  656   3HG1  VAL  85          3HG1      VAL  85  -1.355  -7.972 -12.034
  657   1HG2  VAL  85          1HG2      VAL  85  -0.749  -6.123 -10.569
  658   2HG2  VAL  85          2HG2      VAL  85   0.225  -4.777 -11.162
  659   3HG2  VAL  85          3HG2      VAL  85   0.976  -6.344 -10.861
  660    H    ARG  86           H        ARG  86  -0.765  -5.095 -15.206
  661    HA   ARG  86           HA       ARG  86  -0.930  -7.401 -16.825
  662   1HB   ARG  86          2HB       ARG  86  -2.803  -5.857 -16.399
  663   2HB   ARG  86          1HB       ARG  86  -1.961  -4.598 -17.288
  664   1HG   ARG  86          2HG       ARG  86  -2.058  -5.958 -19.300
  665   2HG   ARG  86          1HG       ARG  86  -2.895  -7.220 -18.399
  666   1HD   ARG  86          2HD       ARG  86  -4.710  -5.583 -17.922
  667   2HD   ARG  86          1HD       ARG  86  -3.888  -4.433 -18.978
  668    HE   ARG  86           HE       ARG  86  -4.454  -6.990 -20.197
  669   1HH1  ARG  86          1HH1      ARG  86  -5.642  -3.746 -19.601
  670   2HH1  ARG  86          2HH1      ARG  86  -6.747  -3.783 -20.937
  671   1HH2  ARG  86          1HH2      ARG  86  -5.909  -7.034 -21.930
  672   2HH2  ARG  86          2HH2      ARG  86  -6.901  -5.640 -22.260
  673    H    LEU  87           H        LEU  87   1.271  -4.854 -16.741
  674    HA   LEU  87           HA       LEU  87   1.996  -4.536 -19.419
  675   1HB   LEU  87          2HB       LEU  87   2.880  -3.055 -17.774
  676   2HB   LEU  87          1HB       LEU  87   3.553  -4.376 -16.843
  677    HG   LEU  87           HG       LEU  87   5.156  -4.804 -18.681
  678   1HD1  LEU  87          1HD1      LEU  87   4.064  -2.233 -19.815
  679   2HD1  LEU  87          2HD1      LEU  87   3.859  -3.838 -20.515
  680   3HD1  LEU  87          3HD1      LEU  87   5.466  -3.119 -20.416
  681   1HD2  LEU  87          1HD2      LEU  87   6.588  -2.891 -18.198
  682   2HD2  LEU  87          2HD2      LEU  87   5.774  -3.456 -16.739
  683   3HD2  LEU  87          3HD2      LEU  87   5.201  -2.006 -17.562
  684    H    GLU  88           H        GLU  88   2.942  -6.912 -16.999
  685    HA   GLU  88           HA       GLU  88   4.092  -8.854 -17.065
  686   1HB   GLU  88          2HB       GLU  88   3.009  -8.899 -19.881
  687   2HB   GLU  88          1HB       GLU  88   3.818 -10.257 -19.115
  688   1HG   GLU  88          2HG       GLU  88   2.051 -10.117 -17.311
  689   2HG   GLU  88          1HG       GLU  88   1.189  -9.014 -18.385
  690    H    HIS  89           H        HIS  89   6.153  -8.045 -16.784
  691    HA   HIS  89           HA       HIS  89   7.827  -8.276 -19.185
  692   1HB   HIS  89          2HB       HIS  89   7.460  -5.848 -18.427
  693   2HB   HIS  89          1HB       HIS  89   8.412  -6.268 -17.007
  694    HD1  HIS  89           1HD      HIS  89  10.932  -6.251 -17.265
  695    HD2  HIS  89           2HD      HIS  89   8.920  -5.985 -20.899
  696    HE1  HIS  89           1HE      HIS  89  12.701  -5.773 -18.988
  697    HE2  HIS  89           2HE      HIS  89  11.442  -5.453 -21.149
  698    H    HIS  90           H        HIS  90   9.669  -9.451 -18.889
  699    HA   HIS  90           HA       HIS  90   9.775 -11.162 -16.639
  700   1HB   HIS  90          2HB       HIS  90  11.632 -10.681 -18.951
  701   2HB   HIS  90          1HB       HIS  90  12.091 -11.756 -17.634
  702    HD1  HIS  90           1HD      HIS  90  11.685 -14.103 -18.277
  703    HD2  HIS  90           2HD      HIS  90   8.764 -11.566 -19.811
  704    HE1  HIS  90           1HE      HIS  90  10.077 -15.587 -19.520
  705    HE2  HIS  90           2HE      HIS  90   8.224 -14.055 -20.274
  706    H    HIS  91           H        HIS  91  10.249 -10.534 -14.717
  707    HA   HIS  91           HA       HIS  91  12.690  -9.008 -14.196
  708   1HB   HIS  91          2HB       HIS  91  10.882  -7.336 -14.312
  709   2HB   HIS  91          1HB       HIS  91   9.957  -8.246 -13.126
  710    HD1  HIS  91           1HD      HIS  91  12.971  -6.017 -13.434
  711    HD2  HIS  91           2HD      HIS  91  10.688  -7.845 -10.479
  712    HE1  HIS  91           1HE      HIS  91  13.688  -4.958 -11.270
  713    HE2  HIS  91           2HE      HIS  91  12.397  -6.181  -9.479
  714    H    HIS  92           H        HIS  92  10.082 -11.076 -13.139
  715    HA   HIS  92           HA       HIS  92  11.766 -12.598 -11.456
  716   1HB   HIS  92          2HB       HIS  92  11.374 -10.574  -9.977
  717   2HB   HIS  92          1HB       HIS  92   9.670 -11.020  -9.946
  718    HD1  HIS  92           1HD      HIS  92   9.091 -13.340  -8.743
  719    HD2  HIS  92           2HD      HIS  92  13.000 -11.993  -8.265
  720    HE1  HIS  92           1HE      HIS  92  10.044 -14.679  -6.840
  721    HE2  HIS  92           2HE      HIS  92  12.380 -13.782  -6.502
  722    H    HIS  93           H        HIS  93   8.361 -11.566 -11.569
  723    HA   HIS  93           HA       HIS  93   6.403 -12.717 -11.545
  724   1HB   HIS  93          2HB       HIS  93   7.463 -13.306 -13.840
  725   2HB   HIS  93          1HB       HIS  93   7.793 -14.879 -13.128
  726    HD1  HIS  93           1HD      HIS  93   5.061 -12.809 -14.564
  727    HD2  HIS  93           2HD      HIS  93   5.467 -16.464 -12.634
  728    HE1  HIS  93           1HE      HIS  93   2.883 -14.003 -14.913
  729    HE2  HIS  93           2HE      HIS  93   3.071 -16.094 -13.528
  730    H    HIS  94           H        HIS  94   6.998 -15.891 -11.892
  731    HA   HIS  94           HA       HIS  94   7.914 -16.617  -9.288
  732   1HB   HIS  94          2HB       HIS  94   4.961 -16.572  -9.853
  733   2HB   HIS  94          1HB       HIS  94   5.621 -17.866  -8.861
  734    HD1  HIS  94           1HD      HIS  94   7.409 -16.599  -6.931
  735    HD2  HIS  94           2HD      HIS  94   3.959 -14.672  -8.228
  736    HE1  HIS  94           1HE      HIS  94   6.852 -14.927  -5.141
  737    HE2  HIS  94           2HE      HIS  94   4.655 -13.926  -5.845
  Start of MODEL   19
    1   1H    MET   1          1HT       MET   1  -1.299  19.092   3.449
    2   2H    MET   1          2HT       MET   1  -1.321  18.656   5.086
    3   3H    MET   1          3HT       MET   1  -0.984  17.486   3.902
    4    HA   MET   1           HA       MET   1   1.046  18.648   3.315
    5   1HB   MET   1          2HB       MET   1   0.267  20.898   4.026
    6   2HB   MET   1          1HB       MET   1   0.374  20.383   5.702
    7   1HG   MET   1          2HG       MET   1   2.775  20.059   5.456
    8   2HG   MET   1          1HG       MET   1   2.672  20.559   3.769
    9   1HE   MET   1          1HE       MET   1   4.479  22.438   4.015
   10   2HE   MET   1          2HE       MET   1   4.731  21.885   5.671
   11   3HE   MET   1          3HE       MET   1   4.505  23.604   5.341
   12    H    TYR   2           H        TYR   2   2.299  16.998   3.816
   13    HA   TYR   2           HA       TYR   2   2.296  16.018   6.593
   14   1HB   TYR   2          2HB       TYR   2   1.740  14.639   4.318
   15   2HB   TYR   2          1HB       TYR   2   3.451  14.302   4.498
   16    HD1  TYR   2           2HD      TYR   2   0.438  14.462   6.715
   17    HD2  TYR   2           1HD      TYR   2   3.932  12.316   5.574
   18    HE1  TYR   2           2HE      TYR   2  -0.108  12.714   8.354
   19    HE2  TYR   2           1HE      TYR   2   3.388  10.555   7.207
   20    HH   TYR   2           HH       TYR   2   0.373  10.321   8.726
   21    H    THR   3           H        THR   3   4.026  16.541   7.691
   22    HA   THR   3           HA       THR   3   6.187  17.920   6.465
   23    HB   THR   3           HB       THR   3   7.077  18.101   8.775
   24    HG1  THR   3           1HG      THR   3   5.577  17.277  10.447
   25   1HG2  THR   3          1HG2      THR   3   4.136  18.720   8.478
   26   2HG2  THR   3          2HG2      THR   3   5.476  19.757   7.988
   27   3HG2  THR   3          3HG2      THR   3   5.207  19.413   9.696
   28    H    ALA   4           H        ALA   4   8.470  17.433   7.114
   29    HA   ALA   4           HA       ALA   4   9.268  14.896   6.158
   30   1HB   ALA   4          1HB       ALA   4  11.526  15.599   6.726
   31   2HB   ALA   4          2HB       ALA   4  10.880  16.932   7.684
   32   3HB   ALA   4          3HB       ALA   4  10.643  16.906   5.937
   33    H    GLU   5           H        GLU   5   8.772  16.209   9.358
   34    HA   GLU   5           HA       GLU   5   9.907  14.126  10.880
   35   1HB   GLU   5          2HB       GLU   5   7.567  15.934  11.524
   36   2HB   GLU   5          1HB       GLU   5   8.467  14.977  12.688
   37   1HG   GLU   5          2HG       GLU   5  10.357  16.306  12.520
   38   2HG   GLU   5          1HG       GLU   5   9.857  16.989  10.974
   39    H    GLN   6           H        GLN   6   6.686  14.647   9.545
   40    HA   GLN   6           HA       GLN   6   5.545  12.266  10.579
   41   1HB   GLN   6          2HB       GLN   6   4.720  14.094   8.328
   42   2HB   GLN   6          1HB       GLN   6   3.766  12.711   8.845
   43   1HG   GLN   6          2HG       GLN   6   4.550  15.018  10.613
   44   2HG   GLN   6          1HG       GLN   6   2.990  14.837   9.811
   45   1HE2  GLN   6          1HE2      GLN   6   1.532  13.323  10.560
   46   2HE2  GLN   6          2HE2      GLN   6   1.711  12.529  12.088
   47    H    LYS   7           H        LYS   7   7.342  13.009   7.658
   48    HA   LYS   7           HA       LYS   7   6.791  10.735   6.143
   49   1HB   LYS   7          2HB       LYS   7   9.441  12.169   6.408
   50   2HB   LYS   7          1HB       LYS   7   9.038  11.019   5.147
   51   1HG   LYS   7          2HG       LYS   7   7.779  13.712   5.592
   52   2HG   LYS   7          1HG       LYS   7   8.888  13.262   4.299
   53   1HD   LYS   7          2HD       LYS   7   7.081  11.474   3.738
   54   2HD   LYS   7          1HD       LYS   7   6.018  12.511   4.691
   55   1HE   LYS   7          2HE       LYS   7   7.523  13.202   2.179
   56   2HE   LYS   7          1HE       LYS   7   5.779  13.189   2.431
   57   1HZ   LYS   7          1HZ       LYS   7   6.024  15.065   3.948
   58   2HZ   LYS   7          2HZ       LYS   7   6.655  15.438   2.418
   59   3HZ   LYS   7          3HZ       LYS   7   7.702  15.068   3.697
   60    H    ALA   8           H        ALA   8   9.022  11.210   8.813
   61    HA   ALA   8           HA       ALA   8  10.354   8.744   8.701
   62   1HB   ALA   8          1HB       ALA   8   9.772  10.432  11.135
   63   2HB   ALA   8          2HB       ALA   8  11.138  10.643  10.038
   64   3HB   ALA   8          3HB       ALA   8  11.002   9.173  11.003
   65    H    ARG   9           H        ARG   9   7.305   9.694  10.148
   66    HA   ARG   9           HA       ARG   9   6.868   7.438  11.762
   67   1HB   ARG   9          2HB       ARG   9   4.887   9.261  10.379
   68   2HB   ARG   9          1HB       ARG   9   4.451   8.066  11.592
   69   1HG   ARG   9          2HG       ARG   9   6.361  10.341  12.080
   70   2HG   ARG   9          1HG       ARG   9   4.639  10.387  12.459
   71   1HD   ARG   9          2HD       ARG   9   4.949   8.419  13.922
   72   2HD   ARG   9          1HD       ARG   9   6.679   8.478  13.591
   73    HE   ARG   9           HE       ARG   9   6.482  10.839  14.575
   74   1HH1  ARG   9          1HH1      ARG   9   4.463   8.157  15.539
   75   2HH1  ARG   9          2HH1      ARG   9   4.319   8.674  17.192
   76   1HH2  ARG   9          1HH2      ARG   9   6.289  11.554  16.746
   77   2HH2  ARG   9          2HH2      ARG   9   5.331  10.629  17.869
   78    H    ILE  10           H        ILE  10   6.277   8.042   8.365
   79    HA   ILE  10           HA       ILE  10   4.747   5.687   7.894
   80    HB   ILE  10           HB       ILE  10   6.355   7.299   5.901
   81   1HG1  ILE  10          2HG1      ILE  10   3.433   7.569   6.630
   82   2HG1  ILE  10          1HG1      ILE  10   4.704   8.650   7.193
   83   1HG2  ILE  10          1HG2      ILE  10   4.059   5.383   5.528
   84   2HG2  ILE  10          2HG2      ILE  10   5.731   5.131   5.027
   85   3HG2  ILE  10          3HG2      ILE  10   4.757   6.384   4.256
   86   1HD1  ILE  10          1HD1      ILE  10   3.491   9.614   5.322
   87   2HD1  ILE  10          2HD1      ILE  10   3.895   8.216   4.326
   88   3HD1  ILE  10          3HD1      ILE  10   5.170   9.297   4.886
   89    H    LYS  11           H        LYS  11   8.152   6.547   7.410
   90    HA   LYS  11           HA       LYS  11   8.926   4.100   6.228
   91   1HB   LYS  11          2HB       LYS  11  10.155   6.340   6.186
   92   2HB   LYS  11          1HB       LYS  11  10.728   5.949   7.798
   93   1HG   LYS  11          2HG       LYS  11  11.199   4.082   5.500
   94   2HG   LYS  11          1HG       LYS  11  12.252   5.464   5.789
   95   1HD   LYS  11          2HD       LYS  11  11.663   3.280   7.785
   96   2HD   LYS  11          1HD       LYS  11  13.117   3.385   6.792
   97   1HE   LYS  11          2HE       LYS  11  13.639   5.556   7.828
   98   2HE   LYS  11          1HE       LYS  11  12.212   5.397   8.848
   99   1HZ   LYS  11          1HZ       LYS  11  14.502   3.507   8.832
  100   2HZ   LYS  11          2HZ       LYS  11  13.165   3.456   9.873
  101   3HZ   LYS  11          3HZ       LYS  11  14.272   4.738   9.976
  102    H    TRP  12           H        TRP  12   8.859   5.220   9.573
  103    HA   TRP  12           HA       TRP  12  10.194   2.937  10.626
  104   1HB   TRP  12          2HB       TRP  12   8.588   5.152  11.845
  105   2HB   TRP  12          1HB       TRP  12   9.089   3.776  12.813
  106    HD1  TRP  12           HD       TRP  12  10.870   6.295  10.429
  107    HE1  TRP  12           1HE      TRP  12  13.137   6.897  11.494
  108    HE3  TRP  12           3HE      TRP  12  10.582   3.355  14.576
  109    HZ2  TRP  12           2HZ      TRP  12  14.603   6.197  13.824
  110    HZ3  TRP  12           3HZ      TRP  12  12.447   3.370  16.181
  111    HH2  TRP  12           HH       TRP  12  14.416   4.764  15.812
  112    H    ALA  13           H        ALA  13   6.953   3.489   9.619
  113    HA   ALA  13           HA       ALA  13   5.954   1.315  11.304
  114   1HB   ALA  13          1HB       ALA  13   4.410   3.244   9.580
  115   2HB   ALA  13          2HB       ALA  13   4.714   3.435  11.307
  116   3HB   ALA  13          3HB       ALA  13   3.736   2.087  10.727
  117    H    CYS  14           H        CYS  14   6.873   1.911   8.017
  118    HA   CYS  14           HA       CYS  14   5.095   0.012   6.832
  119   1HB   CYS  14          2HB       CYS  14   6.453   0.282   4.810
  120   2HB   CYS  14          1HB       CYS  14   6.032   1.839   5.515
  121    HG   CYS  14           HG       CYS  14   9.058   0.365   5.198
  122    H    ARG  15           H        ARG  15   8.220  -0.197   8.326
  123    HA   ARG  15           HA       ARG  15   8.748  -2.829   7.293
  124   1HB   ARG  15          2HB       ARG  15  10.598  -2.768   9.081
  125   2HB   ARG  15          1HB       ARG  15  10.720  -1.684   7.709
  126   1HG   ARG  15          2HG       ARG  15  11.243  -0.216   9.339
  127   2HG   ARG  15          1HG       ARG  15   9.492  -0.035   9.397
  128   1HD   ARG  15          2HD       ARG  15  10.910  -2.032  11.130
  129   2HD   ARG  15          1HD       ARG  15  10.792  -0.339  11.603
  130    HE   ARG  15           HE       ARG  15   8.237  -1.358  10.914
  131   1HH1  ARG  15          1HH1      ARG  15  10.654  -1.512  13.457
  132   2HH1  ARG  15          2HH1      ARG  15   9.484  -1.815  14.708
  133   1HH2  ARG  15          1HH2      ARG  15   6.709  -1.756  12.566
  134   2HH2  ARG  15          2HH2      ARG  15   7.256  -1.973  14.199
  135    H    ARG  16           H        ARG  16   9.248  -4.620   8.869
  136    HA   ARG  16           HA       ARG  16   8.613  -6.139  10.440
  137   1HB   ARG  16          2HB       ARG  16   8.600  -4.165  12.031
  138   2HB   ARG  16          1HB       ARG  16   6.877  -4.023  11.718
  139   1HG   ARG  16          2HG       ARG  16   6.810  -5.279  13.606
  140   2HG   ARG  16          1HG       ARG  16   6.910  -6.577  12.414
  141   1HD   ARG  16          2HD       ARG  16   9.220  -5.386  13.942
  142   2HD   ARG  16          1HD       ARG  16   8.461  -6.942  14.266
  143    HE   ARG  16           HE       ARG  16   9.251  -7.607  11.994
  144   1HH1  ARG  16          1HH1      ARG  16  10.837  -4.998  13.720
  145   2HH1  ARG  16          2HH1      ARG  16  12.372  -5.251  12.942
  146   1HH2  ARG  16          1HH2      ARG  16  11.281  -7.970  11.001
  147   2HH2  ARG  16          2HH2      ARG  16  12.636  -6.953  11.409
  148    H    GLY  17           H        GLY  17   6.822  -7.541  10.885
  149   1HA   GLY  17          2HA       GLY  17   4.618  -8.318  10.596
  150   2HA   GLY  17          1HA       GLY  17   4.298  -6.947   9.538
  151    H    MET  18           H        MET  18   5.675  -6.939   7.527
  152    HA   MET  18           HA       MET  18   6.474  -9.583   6.594
  153   1HB   MET  18          2HB       MET  18   4.085  -9.216   5.881
  154   2HB   MET  18          1HB       MET  18   4.638  -7.828   4.955
  155   1HG   MET  18          2HG       MET  18   4.614  -9.404   3.322
  156   2HG   MET  18          1HG       MET  18   6.269  -9.589   3.894
  157   1HE   MET  18          1HE       MET  18   5.956 -12.842   6.118
  158   2HE   MET  18          2HE       MET  18   5.824 -11.172   6.667
  159   3HE   MET  18          3HE       MET  18   7.061 -11.620   5.491
  160    H    LEU  19           H        LEU  19   8.580  -9.029   6.458
  161    HA   LEU  19           HA       LEU  19   9.534  -6.456   5.940
  162   1HB   LEU  19          2HB       LEU  19  10.937  -9.111   5.705
  163   2HB   LEU  19          1HB       LEU  19  11.732  -7.552   5.731
  164    HG   LEU  19           HG       LEU  19  10.168  -8.814   7.981
  165   1HD1  LEU  19          1HD1      LEU  19  12.319  -8.761   9.149
  166   2HD1  LEU  19          2HD1      LEU  19  13.090  -8.114   7.700
  167   3HD1  LEU  19          3HD1      LEU  19  12.398  -9.737   7.683
  168   1HD2  LEU  19          1HD2      LEU  19   9.762  -6.414   7.919
  169   2HD2  LEU  19          2HD2      LEU  19  11.499  -6.112   7.860
  170   3HD2  LEU  19          3HD2      LEU  19  10.780  -6.847   9.292
  171    H    GLU  20           H        GLU  20   8.830  -9.094   3.758
  172    HA   GLU  20           HA       GLU  20  10.279  -8.136   1.526
  173   1HB   GLU  20          2HB       GLU  20   9.351 -10.450   1.793
  174   2HB   GLU  20          1HB       GLU  20   7.752  -9.791   1.474
  175   1HG   GLU  20          2HG       GLU  20   8.500  -9.052  -0.732
  176   2HG   GLU  20          1HG       GLU  20  10.098  -9.725  -0.412
  177    H    LEU  21           H        LEU  21   7.166  -7.273   2.853
  178    HA   LEU  21           HA       LEU  21   6.169  -6.020   0.485
  179   1HB   LEU  21          2HB       LEU  21   5.336  -5.824   3.373
  180   2HB   LEU  21          1HB       LEU  21   4.534  -4.945   2.088
  181    HG   LEU  21           HG       LEU  21   4.721  -7.953   2.288
  182   1HD1  LEU  21          1HD1      LEU  21   2.327  -7.834   2.765
  183   2HD1  LEU  21          2HD1      LEU  21   2.413  -6.073   2.763
  184   3HD1  LEU  21          3HD1      LEU  21   3.275  -6.997   3.994
  185   1HD2  LEU  21          1HD2      LEU  21   3.261  -6.174   0.335
  186   2HD2  LEU  21          2HD2      LEU  21   3.072  -7.924   0.455
  187   3HD2  LEU  21          3HD2      LEU  21   4.625  -7.235  -0.025
  188    H    ASP  22           H        ASP  22   8.055  -4.959   3.241
  189    HA   ASP  22           HA       ASP  22   7.786  -2.222   3.133
  190   1HB   ASP  22          2HB       ASP  22   9.048  -3.175   4.904
  191   2HB   ASP  22          1HB       ASP  22  10.175  -3.940   3.788
  192    H    VAL  23           H        VAL  23   9.714  -4.310   1.091
  193    HA   VAL  23           HA       VAL  23  11.313  -2.377  -0.153
  194    HB   VAL  23           HB       VAL  23  10.334  -4.965  -1.359
  195   1HG1  VAL  23          1HG1      VAL  23  12.458  -4.894  -2.620
  196   2HG1  VAL  23          2HG1      VAL  23  12.800  -3.313  -1.917
  197   3HG1  VAL  23          3HG1      VAL  23  11.415  -3.520  -2.989
  198   1HG2  VAL  23          1HG2      VAL  23  12.718  -4.455   0.412
  199   2HG2  VAL  23          2HG2      VAL  23  12.375  -5.965  -0.430
  200   3HG2  VAL  23          3HG2      VAL  23  11.282  -5.393   0.829
  201    H    VAL  24           H        VAL  24   7.997  -3.371  -0.773
  202    HA   VAL  24           HA       VAL  24   8.012  -1.749  -3.220
  203    HB   VAL  24           HB       VAL  24   5.913  -2.893  -3.847
  204   1HG1  VAL  24          1HG1      VAL  24   6.924  -5.035  -4.410
  205   2HG1  VAL  24          2HG1      VAL  24   8.202  -4.754  -3.228
  206   3HG1  VAL  24          3HG1      VAL  24   8.071  -3.716  -4.648
  207   1HG2  VAL  24          1HG2      VAL  24   5.231  -4.920  -2.637
  208   2HG2  VAL  24          2HG2      VAL  24   5.081  -3.479  -1.634
  209   3HG2  VAL  24          3HG2      VAL  24   6.439  -4.579  -1.397
  210    H    ILE  25           H        ILE  25   6.672  -1.913  -0.030
  211    HA   ILE  25           HA       ILE  25   4.322  -0.437  -0.377
  212    HB   ILE  25           HB       ILE  25   6.144  -0.654   2.019
  213   1HG1  ILE  25          2HG1      ILE  25   5.045  -2.732   1.384
  214   2HG1  ILE  25          1HG1      ILE  25   4.341  -2.119   2.876
  215   1HG2  ILE  25          1HG2      ILE  25   4.938   1.444   2.203
  216   2HG2  ILE  25          2HG2      ILE  25   4.302   0.273   3.360
  217   3HG2  ILE  25          3HG2      ILE  25   3.412   0.622   1.877
  218   1HD1  ILE  25          1HD1      ILE  25   2.627  -2.981   1.403
  219   2HD1  ILE  25          2HD1      ILE  25   3.150  -1.885   0.126
  220   3HD1  ILE  25          3HD1      ILE  25   2.441  -1.238   1.605
  221    H    MET  26           H        MET  26   7.615   0.705   0.371
  222    HA   MET  26           HA       MET  26   6.925   3.407   0.668
  223   1HB   MET  26          2HB       MET  26   9.571   2.186  -0.125
  224   2HB   MET  26          1HB       MET  26   9.345   3.880   0.289
  225   1HG   MET  26          2HG       MET  26   8.494   3.133   2.519
  226   2HG   MET  26          1HG       MET  26   8.971   1.494   2.081
  227   1HE   MET  26          1HE       MET  26  10.194   5.132   2.901
  228   2HE   MET  26          2HE       MET  26  10.746   4.900   1.242
  229   3HE   MET  26          3HE       MET  26  11.920   5.015   2.554
  230    HA   PRO  27           HA       PRO  27   8.135   3.971  -4.080
  231   1HB   PRO  27          2HB       PRO  27   7.408   1.211  -4.937
  232   2HB   PRO  27          1HB       PRO  27   8.642   2.304  -5.578
  233   1HG   PRO  27          2HG       PRO  27   9.340   0.253  -4.051
  234   2HG   PRO  27          1HG       PRO  27  10.138   1.827  -3.865
  235   1HD   PRO  27          2HD       PRO  27   8.039   0.553  -2.158
  236   2HD   PRO  27          1HD       PRO  27   9.445   1.525  -1.678
  237    H    PHE  28           H        PHE  28   5.632   1.577  -3.180
  238    HA   PHE  28           HA       PHE  28   3.690   2.488  -5.005
  239   1HB   PHE  28          2HB       PHE  28   3.479   0.943  -2.434
  240   2HB   PHE  28          1HB       PHE  28   2.040   1.436  -3.319
  241    HD1  PHE  28           1HD      PHE  28   3.250   1.095  -6.106
  242    HD2  PHE  28           2HD      PHE  28   3.200  -1.391  -2.655
  243    HE1  PHE  28           1HE      PHE  28   3.443  -0.892  -7.542
  244    HE2  PHE  28           2HE      PHE  28   3.401  -3.386  -4.082
  245    HZ   PHE  28           HZ       PHE  28   3.522  -3.137  -6.532
  246    H    PHE  29           H        PHE  29   4.472   3.515  -1.713
  247    HA   PHE  29           HA       PHE  29   2.259   5.209  -1.328
  248   1HB   PHE  29          2HB       PHE  29   3.768   4.592   0.512
  249   2HB   PHE  29          1HB       PHE  29   5.062   5.528  -0.230
  250    HD1  PHE  29           2HD      PHE  29   1.667   5.819   1.228
  251    HD2  PHE  29           1HD      PHE  29   5.288   7.807   0.221
  252    HE1  PHE  29           2HE      PHE  29   0.898   7.825   2.432
  253    HE2  PHE  29           1HE      PHE  29   4.528   9.813   1.417
  254    HZ   PHE  29           HZ       PHE  29   2.332   9.827   2.523
  255    H    GLU  30           H        GLU  30   5.366   5.764  -2.893
  256    HA   GLU  30           HA       GLU  30   5.124   8.519  -3.343
  257   1HB   GLU  30          2HB       GLU  30   6.401   6.467  -5.164
  258   2HB   GLU  30          1HB       GLU  30   6.742   8.192  -5.139
  259   1HG   GLU  30          2HG       GLU  30   7.524   7.917  -2.799
  260   2HG   GLU  30          1HG       GLU  30   7.361   6.179  -3.001
  261    H    GLU  31           H        GLU  31   4.112   5.758  -5.230
  262    HA   GLU  31           HA       GLU  31   3.070   7.171  -7.442
  263   1HB   GLU  31          2HB       GLU  31   2.386   4.414  -6.410
  264   2HB   GLU  31          1HB       GLU  31   1.958   5.036  -7.996
  265   1HG   GLU  31          2HG       GLU  31   4.783   4.715  -7.005
  266   2HG   GLU  31          1HG       GLU  31   3.924   3.534  -7.995
  267    H    CYS  32           H        CYS  32   1.424   5.730  -4.610
  268    HA   CYS  32           HA       CYS  32  -1.156   6.519  -5.559
  269   1HB   CYS  32          2HB       CYS  32  -1.965   5.730  -3.342
  270   2HB   CYS  32          1HB       CYS  32  -0.985   4.540  -4.190
  271    HG   CYS  32           HG       CYS  32   1.235   4.788  -2.630
  272    H    PHE  33           H        PHE  33   1.252   8.001  -3.578
  273    HA   PHE  33           HA       PHE  33  -0.188   9.840  -2.101
  274   1HB   PHE  33          2HB       PHE  33   2.107   9.745  -1.662
  275   2HB   PHE  33          1HB       PHE  33   2.542   9.906  -3.357
  276    HD1  PHE  33           1HD      PHE  33   1.040  11.794  -0.521
  277    HD2  PHE  33           2HD      PHE  33   3.176  11.972  -4.196
  278    HE1  PHE  33           1HE      PHE  33   1.404  14.205  -0.190
  279    HE2  PHE  33           2HE      PHE  33   3.547  14.380  -3.869
  280    HZ   PHE  33           HZ       PHE  33   2.660  15.502  -1.865
  281    H    ASP  34           H        ASP  34   0.637   9.915  -5.507
  282    HA   ASP  34           HA       ASP  34  -0.048  12.593  -6.031
  283   1HB   ASP  34          2HB       ASP  34   1.243  11.197  -7.595
  284   2HB   ASP  34          1HB       ASP  34  -0.184  10.206  -7.887
  285    H    SER  35           H        SER  35  -2.020   9.833  -5.406
  286    HA   SER  35           HA       SER  35  -4.366  11.199  -6.551
  287   1HB   SER  35          2HB       SER  35  -4.064   8.247  -5.983
  288   2HB   SER  35          1HB       SER  35  -5.362   9.032  -6.883
  289    HG   SER  35           HG       SER  35  -3.654   9.736  -8.370
  290    H    LEU  36           H        LEU  36  -2.917  10.508  -3.627
  291    HA   LEU  36           HA       LEU  36  -5.506  10.242  -2.241
  292   1HB   LEU  36          2HB       LEU  36  -2.774   9.467  -1.217
  293   2HB   LEU  36          1HB       LEU  36  -4.299   9.232  -0.387
  294    HG   LEU  36           HG       LEU  36  -3.416   7.854  -2.923
  295   1HD1  LEU  36          1HD1      LEU  36  -3.826   6.831  -0.119
  296   2HD1  LEU  36          2HD1      LEU  36  -2.283   7.029  -0.950
  297   3HD1  LEU  36          3HD1      LEU  36  -3.450   5.839  -1.528
  298   1HD2  LEU  36          1HD2      LEU  36  -5.470   6.554  -2.740
  299   2HD2  LEU  36          2HD2      LEU  36  -5.831   8.270  -2.932
  300   3HD2  LEU  36          3HD2      LEU  36  -5.966   7.513  -1.345
  301    H    THR  37           H        THR  37  -5.801  11.375  -0.257
  302    HA   THR  37           HA       THR  37  -4.077  13.753   0.001
  303    HB   THR  37           HB       THR  37  -6.055  14.887   1.028
  304    HG1  THR  37           1HG      THR  37  -7.314  12.452   0.241
  305   1HG2  THR  37          1HG2      THR  37  -7.249  15.272  -1.084
  306   2HG2  THR  37          2HG2      THR  37  -6.453  13.861  -1.784
  307   3HG2  THR  37          3HG2      THR  37  -5.501  15.268  -1.313
  308    H    GLU  38           H        GLU  38  -4.832  14.690   2.443
  309    HA   GLU  38           HA       GLU  38  -3.232  13.227   4.195
  310   1HB   GLU  38          2HB       GLU  38  -5.462  15.154   4.885
  311   2HB   GLU  38          1HB       GLU  38  -4.174  14.649   5.967
  312   1HG   GLU  38          2HG       GLU  38  -3.773  16.159   3.395
  313   2HG   GLU  38          1HG       GLU  38  -3.837  16.888   4.998
  314    H    SER  39           H        SER  39  -6.746  13.186   3.789
  315    HA   SER  39           HA       SER  39  -7.411  11.641   6.011
  316   1HB   SER  39          2HB       SER  39  -9.409  10.992   4.492
  317   2HB   SER  39          1HB       SER  39  -9.204  12.684   4.939
  318    HG   SER  39           HG       SER  39  -8.920  11.428   2.472
  319    H    GLU  40           H        GLU  40  -6.772  10.600   2.659
  320    HA   GLU  40           HA       GLU  40  -6.983   7.830   3.207
  321   1HB   GLU  40          2HB       GLU  40  -5.530   9.293   0.996
  322   2HB   GLU  40          1HB       GLU  40  -5.691   7.547   1.067
  323   1HG   GLU  40          2HG       GLU  40  -7.359   8.235  -0.401
  324   2HG   GLU  40          1HG       GLU  40  -8.204   7.944   1.118
  325    H    GLN  41           H        GLN  41  -4.315  10.111   3.253
  326    HA   GLN  41           HA       GLN  41  -2.214   8.297   3.637
  327   1HB   GLN  41          2HB       GLN  41  -2.609  11.193   4.303
  328   2HB   GLN  41          1HB       GLN  41  -1.139  10.369   4.786
  329   1HG   GLN  41          2HG       GLN  41  -0.721   9.778   2.439
  330   2HG   GLN  41          1HG       GLN  41  -2.178  10.656   1.978
  331   1HE2  GLN  41          1HE2      GLN  41   0.617  11.093   1.225
  332   2HE2  GLN  41          2HE2      GLN  41   0.969  12.728   1.670
  333    H    ASP  42           H        ASP  42  -4.354   9.892   5.969
  334    HA   ASP  42           HA       ASP  42  -3.018   8.965   8.284
  335   1HB   ASP  42          2HB       ASP  42  -4.653  10.846   8.271
  336   2HB   ASP  42          1HB       ASP  42  -5.944   9.680   8.009
  337    H    ASP  43           H        ASP  43  -5.794   7.689   6.467
  338    HA   ASP  43           HA       ASP  43  -6.299   5.451   8.077
  339   1HB   ASP  43          2HB       ASP  43  -6.794   6.068   5.181
  340   2HB   ASP  43          1HB       ASP  43  -7.112   4.454   5.798
  341    H    PHE  44           H        PHE  44  -4.071   5.918   5.390
  342    HA   PHE  44           HA       PHE  44  -3.158   3.263   5.173
  343   1HB   PHE  44          2HB       PHE  44  -2.787   5.036   3.474
  344   2HB   PHE  44          1HB       PHE  44  -1.657   5.822   4.569
  345    HD1  PHE  44           2HD      PHE  44  -2.241   2.599   2.807
  346    HD2  PHE  44           1HD      PHE  44   0.595   5.289   4.489
  347    HE1  PHE  44           2HE      PHE  44  -0.409   1.233   1.897
  348    HE2  PHE  44           1HE      PHE  44   2.433   3.929   3.575
  349    HZ   PHE  44           HZ       PHE  44   1.930   1.897   2.279
  350    H    VAL  45           H        VAL  45  -1.821   6.042   6.952
  351    HA   VAL  45           HA       VAL  45   0.353   4.665   8.099
  352    HB   VAL  45           HB       VAL  45  -1.117   7.089   9.164
  353   1HG1  VAL  45          1HG1      VAL  45   1.615   6.018   9.869
  354   2HG1  VAL  45          2HG1      VAL  45   0.196   6.012  10.918
  355   3HG1  VAL  45          3HG1      VAL  45   0.925   7.541  10.428
  356   1HG2  VAL  45          1HG2      VAL  45   0.696   8.364   8.133
  357   2HG2  VAL  45          2HG2      VAL  45  -0.180   7.421   6.927
  358   3HG2  VAL  45          3HG2      VAL  45   1.394   6.872   7.501
  359    H    ALA  46           H        ALA  46  -2.991   5.059   9.161
  360    HA   ALA  46           HA       ALA  46  -2.735   3.959  11.735
  361   1HB   ALA  46          1HB       ALA  46  -4.729   5.134  10.948
  362   2HB   ALA  46          2HB       ALA  46  -5.130   3.548  11.604
  363   3HB   ALA  46          3HB       ALA  46  -5.090   3.797   9.857
  364    H    LEU  47           H        LEU  47  -3.129   2.479   8.575
  365    HA   LEU  47           HA       LEU  47  -3.458  -0.185   9.479
  366   1HB   LEU  47          2HB       LEU  47  -2.663   1.064   6.878
  367   2HB   LEU  47          1HB       LEU  47  -2.568  -0.670   7.081
  368    HG   LEU  47           HG       LEU  47  -5.053   1.031   7.284
  369   1HD1  LEU  47          1HD1      LEU  47  -5.758  -0.200   5.309
  370   2HD1  LEU  47          2HD1      LEU  47  -4.242  -1.100   5.308
  371   3HD1  LEU  47          3HD1      LEU  47  -4.236   0.637   5.002
  372   1HD2  LEU  47          1HD2      LEU  47  -4.721  -1.947   7.634
  373   2HD2  LEU  47          2HD2      LEU  47  -6.253  -1.076   7.593
  374   3HD2  LEU  47          3HD2      LEU  47  -5.113  -0.793   8.908
  375    H    LEU  48           H        LEU  48  -0.646   1.785   8.723
  376    HA   LEU  48           HA       LEU  48   1.244  -0.314   8.639
  377   1HB   LEU  48          2HB       LEU  48   1.633   2.608   9.273
  378   2HB   LEU  48          1HB       LEU  48   2.921   1.475   8.908
  379    HG   LEU  48           HG       LEU  48   0.714   2.275   7.007
  380   1HD1  LEU  48          1HD1      LEU  48   3.631   3.037   7.071
  381   2HD1  LEU  48          2HD1      LEU  48   2.269   4.100   7.434
  382   3HD1  LEU  48          3HD1      LEU  48   2.480   3.458   5.805
  383   1HD2  LEU  48          1HD2      LEU  48   1.503  -0.001   6.610
  384   2HD2  LEU  48          2HD2      LEU  48   3.171   0.573   6.579
  385   3HD2  LEU  48          3HD2      LEU  48   2.038   1.084   5.328
  386    H    GLU  49           H        GLU  49  -0.263   1.335  11.259
  387    HA   GLU  49           HA       GLU  49   1.670   0.648  13.253
  388   1HB   GLU  49          2HB       GLU  49  -1.157   1.662  13.344
  389   2HB   GLU  49          1HB       GLU  49  -0.332   1.150  14.811
  390   1HG   GLU  49          2HG       GLU  49   0.695   3.259  12.928
  391   2HG   GLU  49          1HG       GLU  49  -0.220   3.582  14.402
  392    H    SER  50           H        SER  50  -0.622  -1.117  11.544
  393    HA   SER  50           HA       SER  50  -0.573  -3.259  13.568
  394   1HB   SER  50          2HB       SER  50  -2.800  -2.739  11.579
  395   2HB   SER  50          1HB       SER  50  -2.798  -3.918  12.889
  396    HG   SER  50           HG       SER  50  -2.459  -1.173  13.416
  397    H    ASP  51           H        ASP  51  -1.584  -5.305  12.052
  398    HA   ASP  51           HA       ASP  51   0.459  -5.840  10.099
  399   1HB   ASP  51          2HB       ASP  51  -2.021  -7.429  10.822
  400   2HB   ASP  51          1HB       ASP  51  -0.711  -7.998   9.797
  401    H    ASP  52           H        ASP  52  -0.664  -7.044   8.002
  402    HA   ASP  52           HA       ASP  52  -2.471  -5.008   6.852
  403   1HB   ASP  52          2HB       ASP  52  -1.372  -5.416   4.700
  404   2HB   ASP  52          1HB       ASP  52  -0.188  -4.946   5.916
  405    HA   PRO  53           HA       PRO  53  -4.078  -9.477   6.663
  406   1HB   PRO  53          2HB       PRO  53  -6.427  -9.188   8.007
  407   2HB   PRO  53          1HB       PRO  53  -4.897  -9.576   8.801
  408   1HG   PRO  53          2HG       PRO  53  -6.318  -6.957   8.592
  409   2HG   PRO  53          1HG       PRO  53  -5.428  -7.645   9.962
  410   1HD   PRO  53          2HD       PRO  53  -4.410  -5.741   8.291
  411   2HD   PRO  53          1HD       PRO  53  -3.411  -6.914   9.169
  412    H    ASP  54           H        ASP  54  -6.398  -6.747   6.651
  413    HA   ASP  54           HA       ASP  54  -8.008  -7.924   4.619
  414   1HB   ASP  54          2HB       ASP  54  -9.170  -5.734   4.588
  415   2HB   ASP  54          1HB       ASP  54  -9.004  -6.394   6.210
  416    H    LEU  55           H        LEU  55  -5.394  -5.585   4.641
  417    HA   LEU  55           HA       LEU  55  -5.605  -4.721   1.971
  418   1HB   LEU  55          2HB       LEU  55  -4.188  -3.760   3.867
  419   2HB   LEU  55          1HB       LEU  55  -3.037  -5.031   3.525
  420    HG   LEU  55           HG       LEU  55  -3.875  -3.051   1.415
  421   1HD1  LEU  55          1HD1      LEU  55  -3.015  -1.798   3.319
  422   2HD1  LEU  55          2HD1      LEU  55  -1.880  -1.765   1.969
  423   3HD1  LEU  55          3HD1      LEU  55  -1.577  -2.819   3.350
  424   1HD2  LEU  55          1HD2      LEU  55  -1.432  -4.788   1.753
  425   2HD2  LEU  55          2HD2      LEU  55  -1.707  -3.647   0.438
  426   3HD2  LEU  55          3HD2      LEU  55  -2.752  -5.057   0.615
  427    H    PHE  56           H        PHE  56  -3.638  -7.297   3.445
  428    HA   PHE  56           HA       PHE  56  -2.494  -8.301   1.090
  429   1HB   PHE  56          2HB       PHE  56  -1.952  -8.838   3.569
  430   2HB   PHE  56          1HB       PHE  56  -3.242 -10.023   3.450
  431    HD1  PHE  56           1HD      PHE  56  -0.011  -9.021   1.959
  432    HD2  PHE  56           2HD      PHE  56  -2.853 -12.132   2.549
  433    HE1  PHE  56           1HE      PHE  56   1.584 -10.649   1.028
  434    HE2  PHE  56           2HE      PHE  56  -1.268 -13.766   1.622
  435    HZ   PHE  56           HZ       PHE  56   0.954 -13.025   0.861
  436    H    ALA  57           H        ALA  57  -5.538  -8.951   2.701
  437    HA   ALA  57           HA       ALA  57  -6.312 -11.262   1.333
  438   1HB   ALA  57          1HB       ALA  57  -8.076  -9.130   2.520
  439   2HB   ALA  57          2HB       ALA  57  -7.362 -10.482   3.399
  440   3HB   ALA  57          3HB       ALA  57  -8.552 -10.783   2.133
  441    H    TRP  58           H        TRP  58  -6.962  -7.845   0.587
  442    HA   TRP  58           HA       TRP  58  -8.608  -8.472  -1.663
  443   1HB   TRP  58          2HB       TRP  58  -7.356  -5.922  -0.674
  444   2HB   TRP  58          1HB       TRP  58  -8.234  -5.985  -2.200
  445    HD1  TRP  58           HD       TRP  58  -9.064  -7.394   1.326
  446    HE1  TRP  58           1HE      TRP  58 -11.455  -6.684   1.916
  447    HE3  TRP  58           3HE      TRP  58 -10.170  -4.668  -2.867
  448    HZ2  TRP  58           2HZ      TRP  58 -13.544  -5.175   0.772
  449    HZ3  TRP  58           3HZ      TRP  58 -12.400  -3.624  -3.033
  450    HH2  TRP  58           HH       TRP  58 -14.044  -3.878  -1.252
  451    H    VAL  59           H        VAL  59  -5.187  -7.902  -1.218
  452    HA   VAL  59           HA       VAL  59  -4.517  -7.666  -3.962
  453    HB   VAL  59           HB       VAL  59  -2.851  -8.718  -1.665
  454   1HG1  VAL  59          1HG1      VAL  59  -1.960  -9.475  -3.807
  455   2HG1  VAL  59          2HG1      VAL  59  -0.913  -8.253  -3.086
  456   3HG1  VAL  59          3HG1      VAL  59  -1.988  -7.818  -4.414
  457   1HG2  VAL  59          1HG2      VAL  59  -1.857  -6.477  -1.666
  458   2HG2  VAL  59          2HG2      VAL  59  -3.591  -6.419  -1.345
  459   3HG2  VAL  59          3HG2      VAL  59  -2.974  -5.986  -2.939
  460    H    MET  60           H        MET  60  -4.761 -10.442  -1.771
  461    HA   MET  60           HA       MET  60  -4.049 -12.349  -3.804
  462   1HB   MET  60          2HB       MET  60  -5.233 -12.686  -1.046
  463   2HB   MET  60          1HB       MET  60  -4.779 -14.026  -2.086
  464   1HG   MET  60          2HG       MET  60  -2.927 -11.914  -1.011
  465   2HG   MET  60          1HG       MET  60  -3.071 -13.569  -0.425
  466   1HE   MET  60          1HE       MET  60  -2.431 -15.708  -1.890
  467   2HE   MET  60          2HE       MET  60  -1.788 -15.613  -3.528
  468   3HE   MET  60          3HE       MET  60  -3.456 -15.140  -3.206
  469    H    GLY  61           H        GLY  61  -6.921 -10.764  -2.843
  470   1HA   GLY  61          2HA       GLY  61  -8.961 -10.772  -3.957
  471   2HA   GLY  61          1HA       GLY  61  -8.424 -12.164  -4.887
  472    H    HIS  62           H        HIS  62  -8.273 -12.060  -1.402
  473    HA   HIS  62           HA       HIS  62 -10.677 -13.687  -1.135
  474   1HB   HIS  62          2HB       HIS  62  -7.921 -14.657  -0.360
  475   2HB   HIS  62          1HB       HIS  62  -9.400 -15.361   0.275
  476    HD1  HIS  62           1HD      HIS  62  -6.972 -15.900  -2.238
  477    HD2  HIS  62           2HD      HIS  62 -11.106 -16.308  -2.046
  478    HE1  HIS  62           1HE      HIS  62  -7.586 -17.474  -4.101
  479    HE2  HIS  62           2HE      HIS  62 -10.046 -17.905  -3.785
  480    H    GLY  63           H        GLY  63 -11.438 -11.840   0.028
  481   1HA   GLY  63          2HA       GLY  63 -11.471 -12.122   2.731
  482   2HA   GLY  63          1HA       GLY  63 -10.075 -11.095   2.462
  483    H    ARG  64           H        ARG  64 -12.053 -10.174   3.999
  484    HA   ARG  64           HA       ARG  64 -13.397  -8.172   2.308
  485   1HB   ARG  64          2HB       ARG  64 -15.096  -9.558   3.213
  486   2HB   ARG  64          1HB       ARG  64 -14.338  -9.596   4.796
  487   1HG   ARG  64          2HG       ARG  64 -15.144  -6.931   3.858
  488   2HG   ARG  64          1HG       ARG  64 -16.466  -8.067   4.138
  489   1HD   ARG  64          2HD       ARG  64 -15.684  -8.459   6.401
  490   2HD   ARG  64          1HD       ARG  64 -14.292  -7.414   6.122
  491    HE   ARG  64           HE       ARG  64 -16.715  -6.012   5.647
  492   1HH1  ARG  64          1HH1      ARG  64 -14.655  -7.213   8.222
  493   2HH1  ARG  64          2HH1      ARG  64 -15.188  -6.021   9.378
  494   1HH2  ARG  64          1HH2      ARG  64 -17.417  -4.458   7.153
  495   2HH2  ARG  64          2HH2      ARG  64 -16.761  -4.447   8.761
  496    H    CYS  65           H        CYS  65 -13.169  -6.054   2.884
  497    HA   CYS  65           HA       CYS  65 -11.115  -5.517   4.894
  498   1HB   CYS  65          2HB       CYS  65 -10.807  -4.573   2.631
  499   2HB   CYS  65          1HB       CYS  65 -12.315  -3.683   2.805
  500    HG   CYS  65           HG       CYS  65  -9.347  -3.136   4.412
  501    H    GLU  66           H        GLU  66 -11.389  -3.913   6.483
  502    HA   GLU  66           HA       GLU  66 -13.799  -4.068   7.884
  503   1HB   GLU  66          2HB       GLU  66 -11.694  -1.930   8.201
  504   2HB   GLU  66          1HB       GLU  66 -12.833  -2.486   9.417
  505   1HG   GLU  66          2HG       GLU  66 -10.611  -4.122   8.216
  506   2HG   GLU  66          1HG       GLU  66 -10.590  -3.356   9.801
  507    H    ASN  67           H        ASN  67 -12.510  -1.526   5.790
  508    HA   ASN  67           HA       ASN  67 -15.201  -0.576   5.317
  509   1HB   ASN  67          2HB       ASN  67 -14.664   1.783   5.770
  510   2HB   ASN  67          1HB       ASN  67 -14.560   0.805   7.229
  511   1HD2  ASN  67          1HD2      ASN  67 -12.631   0.576   8.252
  512   2HD2  ASN  67          2HD2      ASN  67 -11.205   1.450   7.815
  513    H    LEU  68           H        LEU  68 -15.292   0.923   3.472
  514    HA   LEU  68           HA       LEU  68 -13.517  -0.066   1.446
  515   1HB   LEU  68          2HB       LEU  68 -15.819   1.861   1.367
  516   2HB   LEU  68          1HB       LEU  68 -14.866   1.460  -0.048
  517    HG   LEU  68           HG       LEU  68 -16.596  -0.407   1.574
  518   1HD1  LEU  68          1HD1      LEU  68 -16.721   0.477  -1.305
  519   2HD1  LEU  68          2HD1      LEU  68 -17.791   1.016  -0.010
  520   3HD1  LEU  68          3HD1      LEU  68 -17.809  -0.671  -0.527
  521   1HD2  LEU  68          1HD2      LEU  68 -15.924  -2.158  -0.007
  522   2HD2  LEU  68          2HD2      LEU  68 -14.555  -1.572   0.939
  523   3HD2  LEU  68          3HD2      LEU  68 -14.761  -1.049  -0.732
  524    H    GLY  69           H        GLY  69 -13.515   2.635   3.499
  525   1HA   GLY  69          2HA       GLY  69 -12.041   4.479   1.975
  526   2HA   GLY  69          1HA       GLY  69 -11.989   4.338   3.729
  527    H    LEU  70           H        LEU  70 -10.938   1.887   4.144
  528    HA   LEU  70           HA       LEU  70  -8.180   2.170   3.565
  529   1HB   LEU  70          2HB       LEU  70  -9.726  -0.238   4.534
  530   2HB   LEU  70          1HB       LEU  70  -7.979  -0.111   4.513
  531    HG   LEU  70           HG       LEU  70  -9.825   1.635   6.148
  532   1HD1  LEU  70          1HD1      LEU  70  -8.968   0.391   8.058
  533   2HD1  LEU  70          2HD1      LEU  70  -8.024  -0.636   6.980
  534   3HD1  LEU  70          3HD1      LEU  70  -9.785  -0.683   6.924
  535   1HD2  LEU  70          1HD2      LEU  70  -7.794   2.422   7.218
  536   2HD2  LEU  70          2HD2      LEU  70  -7.747   2.752   5.486
  537   3HD2  LEU  70          3HD2      LEU  70  -6.818   1.410   6.154
  538    H    ALA  71           H        ALA  71 -10.730   0.107   2.267
  539    HA   ALA  71           HA       ALA  71  -9.156  -1.448   0.550
  540   1HB   ALA  71          1HB       ALA  71 -12.049  -0.667   0.203
  541   2HB   ALA  71          2HB       ALA  71 -11.459  -2.009   1.186
  542   3HB   ALA  71          3HB       ALA  71 -11.231  -2.029  -0.562
  543    H    ALA  72           H        ALA  72 -10.488   1.760   0.175
  544    HA   ALA  72           HA       ALA  72 -10.268   2.054  -2.598
  545   1HB   ALA  72          1HB       ALA  72 -10.239   4.456  -2.187
  546   2HB   ALA  72          2HB       ALA  72  -9.891   4.170  -0.481
  547   3HB   ALA  72          3HB       ALA  72 -11.435   3.659  -1.163
  548    H    MET  73           H        MET  73  -7.882   2.544  -0.029
  549    HA   MET  73           HA       MET  73  -5.815   3.559  -1.666
  550   1HB   MET  73          2HB       MET  73  -5.589   1.945   0.886
  551   2HB   MET  73          1HB       MET  73  -4.301   2.894   0.160
  552   1HG   MET  73          2HG       MET  73  -5.570   4.932   0.545
  553   2HG   MET  73          1HG       MET  73  -6.887   3.989   1.242
  554   1HE   MET  73          1HE       MET  73  -5.211   1.765   2.837
  555   2HE   MET  73          2HE       MET  73  -6.636   2.569   3.497
  556   3HE   MET  73          3HE       MET  73  -5.145   2.502   4.437
  557    H    VAL  74           H        VAL  74  -6.656   0.297  -0.612
  558    HA   VAL  74           HA       VAL  74  -4.519  -1.077  -1.805
  559    HB   VAL  74           HB       VAL  74  -7.321  -2.126  -1.353
  560   1HG1  VAL  74          1HG1      VAL  74  -6.194  -4.302  -1.126
  561   2HG1  VAL  74          2HG1      VAL  74  -4.659  -3.535  -1.530
  562   3HG1  VAL  74          3HG1      VAL  74  -5.953  -3.596  -2.725
  563   1HG2  VAL  74          1HG2      VAL  74  -4.976  -2.071   0.543
  564   2HG2  VAL  74          2HG2      VAL  74  -6.526  -2.861   0.836
  565   3HG2  VAL  74          3HG2      VAL  74  -6.446  -1.107   0.685
  566    H    ASP  75           H        ASP  75  -7.709  -0.171  -3.016
  567    HA   ASP  75           HA       ASP  75  -7.706  -1.584  -5.425
  568   1HB   ASP  75          2HB       ASP  75  -9.709  -0.507  -4.563
  569   2HB   ASP  75          1HB       ASP  75  -8.981   1.082  -4.774
  570    H    LYS  76           H        LYS  76  -6.382   1.600  -4.654
  571    HA   LYS  76           HA       LYS  76  -5.694   2.289  -7.322
  572   1HB   LYS  76          2HB       LYS  76  -4.264   3.290  -4.861
  573   2HB   LYS  76          1HB       LYS  76  -4.465   4.109  -6.404
  574   1HG   LYS  76          2HG       LYS  76  -6.602   3.555  -4.359
  575   2HG   LYS  76          1HG       LYS  76  -5.904   5.119  -4.775
  576   1HD   LYS  76          2HD       LYS  76  -6.959   5.164  -6.864
  577   2HD   LYS  76          1HD       LYS  76  -7.292   3.429  -6.831
  578   1HE   LYS  76          2HE       LYS  76  -8.858   3.785  -4.971
  579   2HE   LYS  76          1HE       LYS  76  -8.540   5.516  -5.045
  580   1HZ   LYS  76          1HZ       LYS  76 -10.601   4.736  -6.205
  581   2HZ   LYS  76          2HZ       LYS  76  -9.598   3.981  -7.347
  582   3HZ   LYS  76          3HZ       LYS  76  -9.544   5.660  -7.153
  583    H    ILE  77           H        ILE  77  -3.947   0.733  -4.690
  584    HA   ILE  77           HA       ILE  77  -1.455   0.507  -5.999
  585    HB   ILE  77           HB       ILE  77  -2.634  -1.264  -3.844
  586   1HG1  ILE  77          2HG1      ILE  77  -0.776   1.119  -3.622
  587   2HG1  ILE  77          1HG1      ILE  77  -2.497   1.145  -3.253
  588   1HG2  ILE  77          1HG2      ILE  77  -0.763  -2.333  -4.990
  589   2HG2  ILE  77          2HG2      ILE  77  -0.317  -1.876  -3.346
  590   3HG2  ILE  77          3HG2      ILE  77   0.231  -0.904  -4.711
  591   1HD1  ILE  77          1HD1      ILE  77  -1.184   0.988  -1.229
  592   2HD1  ILE  77          2HD1      ILE  77  -0.402  -0.475  -1.828
  593   3HD1  ILE  77          3HD1      ILE  77  -2.128  -0.484  -1.465
  594    H    VAL  78           H        VAL  78  -4.225  -1.705  -5.723
  595    HA   VAL  78           HA       VAL  78  -3.145  -3.814  -7.244
  596    HB   VAL  78           HB       VAL  78  -6.049  -3.035  -6.876
  597   1HG1  VAL  78          1HG1      VAL  78  -6.576  -5.333  -7.536
  598   2HG1  VAL  78          2HG1      VAL  78  -4.870  -5.633  -7.867
  599   3HG1  VAL  78          3HG1      VAL  78  -5.765  -4.467  -8.842
  600   1HG2  VAL  78          1HG2      VAL  78  -4.889  -3.546  -4.787
  601   2HG2  VAL  78          2HG2      VAL  78  -4.341  -5.081  -5.461
  602   3HG2  VAL  78          3HG2      VAL  78  -6.061  -4.803  -5.186
  603    H    ALA  79           H        ALA  79  -4.978  -0.940  -8.188
  604    HA   ALA  79           HA       ALA  79  -5.345  -1.561 -10.898
  605   1HB   ALA  79          1HB       ALA  79  -5.730   0.803 -11.235
  606   2HB   ALA  79          2HB       ALA  79  -4.952   1.177  -9.697
  607   3HB   ALA  79          3HB       ALA  79  -6.477   0.291  -9.720
  608    H    HIS  80           H        HIS  80  -2.690   0.090  -9.236
  609    HA   HIS  80           HA       HIS  80  -1.159   0.566 -11.599
  610   1HB   HIS  80          2HB       HIS  80  -0.984   1.678  -9.247
  611   2HB   HIS  80          1HB       HIS  80   0.048   0.308  -8.859
  612    HD1  HIS  80           1HD      HIS  80   1.806   0.081 -11.310
  613    HD2  HIS  80           2HD      HIS  80   0.702   3.731  -9.658
  614    HE1  HIS  80           1HE      HIS  80   3.554   1.721 -12.066
  615    HE2  HIS  80           2HE      HIS  80   2.994   3.863 -10.853
  616    H    ASN  81           H        ASN  81  -1.317  -1.981  -9.206
  617    HA   ASN  81           HA       ASN  81   0.943  -3.466 -10.021
  618   1HB   ASN  81          2HB       ASN  81  -0.199  -3.777  -7.843
  619   2HB   ASN  81          1HB       ASN  81  -1.584  -4.464  -8.687
  620   1HD2  ASN  81          1HD2      ASN  81  -1.437  -6.436  -7.687
  621   2HD2  ASN  81          2HD2      ASN  81  -0.161  -7.557  -8.003
  622    H    LEU  82           H        LEU  82  -2.379  -3.378 -11.126
  623    HA   LEU  82           HA       LEU  82  -2.564  -5.735 -12.559
  624   1HB   LEU  82          2HB       LEU  82  -4.361  -4.038 -12.159
  625   2HB   LEU  82          1HB       LEU  82  -3.652  -3.057 -13.422
  626    HG   LEU  82           HG       LEU  82  -4.082  -4.874 -15.050
  627   1HD1  LEU  82          1HD1      LEU  82  -5.553  -6.174 -12.762
  628   2HD1  LEU  82          2HD1      LEU  82  -4.053  -6.754 -13.483
  629   3HD1  LEU  82          3HD1      LEU  82  -5.536  -6.725 -14.437
  630   1HD2  LEU  82          1HD2      LEU  82  -5.673  -3.055 -14.812
  631   2HD2  LEU  82          2HD2      LEU  82  -6.489  -3.915 -13.506
  632   3HD2  LEU  82          3HD2      LEU  82  -6.516  -4.568 -15.146
  633    H    SER  83           H        SER  83  -1.118  -2.662 -13.531
  634    HA   SER  83           HA       SER  83  -0.490  -3.420 -16.177
  635   1HB   SER  83          2HB       SER  83  -0.481  -1.068 -15.373
  636   2HB   SER  83          1HB       SER  83   0.966  -1.421 -14.430
  637    HG   SER  83           HG       SER  83   1.573  -0.508 -16.392
  638    H    LYS  84           H        LYS  84   1.203  -3.787 -13.117
  639    HA   LYS  84           HA       LYS  84   3.631  -4.818 -14.143
  640   1HB   LYS  84          2HB       LYS  84   2.274  -5.245 -11.474
  641   2HB   LYS  84          1HB       LYS  84   3.904  -5.784 -11.848
  642   1HG   LYS  84          2HG       LYS  84   4.666  -3.536 -12.097
  643   2HG   LYS  84          1HG       LYS  84   3.019  -2.913 -11.976
  644   1HD   LYS  84          2HD       LYS  84   4.295  -2.639  -9.880
  645   2HD   LYS  84          1HD       LYS  84   2.867  -3.653  -9.678
  646   1HE   LYS  84          2HE       LYS  84   4.812  -4.568  -8.500
  647   2HE   LYS  84          1HE       LYS  84   4.242  -5.652  -9.766
  648   1HZ   LYS  84          1HZ       LYS  84   6.434  -3.738 -10.285
  649   2HZ   LYS  84          2HZ       LYS  84   6.063  -5.187 -11.099
  650   3HZ   LYS  84          3HZ       LYS  84   6.738  -5.232  -9.546
  651    H    VAL  85           H        VAL  85   0.533  -6.237 -13.355
  652    HA   VAL  85           HA       VAL  85   1.274  -8.956 -13.518
  653    HB   VAL  85           HB       VAL  85  -1.404  -7.706 -14.159
  654   1HG1  VAL  85          1HG1      VAL  85  -2.337  -9.906 -13.629
  655   2HG1  VAL  85          2HG1      VAL  85  -0.707 -10.543 -13.410
  656   3HG1  VAL  85          3HG1      VAL  85  -1.230  -9.987 -14.999
  657   1HG2  VAL  85          1HG2      VAL  85  -0.341  -8.802 -11.562
  658   2HG2  VAL  85          2HG2      VAL  85  -1.995  -8.260 -11.845
  659   3HG2  VAL  85          3HG2      VAL  85  -0.662  -7.107 -11.928
  660    H    ARG  86           H        ARG  86   0.289  -6.587 -15.917
  661    HA   ARG  86           HA       ARG  86   0.173  -8.428 -18.094
  662   1HB   ARG  86          2HB       ARG  86  -1.193  -6.563 -18.310
  663   2HB   ARG  86          1HB       ARG  86   0.043  -5.466 -17.725
  664   1HG   ARG  86          2HG       ARG  86  -0.303  -5.041 -20.015
  665   2HG   ARG  86          1HG       ARG  86   1.268  -5.811 -19.852
  666   1HD   ARG  86          2HD       ARG  86  -0.994  -7.635 -20.337
  667   2HD   ARG  86          1HD       ARG  86  -0.611  -6.537 -21.661
  668    HE   ARG  86           HE       ARG  86   1.422  -8.314 -20.454
  669   1HH1  ARG  86          1HH1      ARG  86  -0.220  -6.959 -23.237
  670   2HH1  ARG  86          2HH1      ARG  86   0.792  -7.769 -24.389
  671   1HH2  ARG  86          1HH2      ARG  86   2.772  -9.378 -21.978
  672   2HH2  ARG  86          2HH2      ARG  86   2.490  -9.129 -23.679
  673    H    LEU  87           H        LEU  87   2.482  -5.941 -17.038
  674    HA   LEU  87           HA       LEU  87   4.342  -6.338 -19.123
  675   1HB   LEU  87          2HB       LEU  87   4.092  -4.411 -17.377
  676   2HB   LEU  87          1HB       LEU  87   5.128  -5.408 -16.377
  677    HG   LEU  87           HG       LEU  87   5.909  -4.500 -19.142
  678   1HD1  LEU  87          1HD1      LEU  87   7.242  -2.767 -18.022
  679   2HD1  LEU  87          2HD1      LEU  87   6.505  -3.210 -16.482
  680   3HD1  LEU  87          3HD1      LEU  87   5.511  -2.537 -17.774
  681   1HD2  LEU  87          1HD2      LEU  87   7.134  -6.437 -18.250
  682   2HD2  LEU  87          2HD2      LEU  87   7.557  -5.498 -16.818
  683   3HD2  LEU  87          3HD2      LEU  87   8.165  -5.014 -18.400
  684    H    GLU  88           H        GLU  88   4.261  -7.524 -15.776
  685    HA   GLU  88           HA       GLU  88   6.407  -9.411 -16.380
  686   1HB   GLU  88          2HB       GLU  88   5.039  -8.849 -13.739
  687   2HB   GLU  88          1HB       GLU  88   6.510  -9.783 -13.980
  688   1HG   GLU  88          2HG       GLU  88   7.688  -7.789 -14.700
  689   2HG   GLU  88          1HG       GLU  88   6.207  -6.840 -14.559
  690    H    HIS  89           H        HIS  89   5.264 -10.821 -17.704
  691    HA   HIS  89           HA       HIS  89   2.783 -11.960 -17.198
  692   1HB   HIS  89          2HB       HIS  89   3.484 -13.787 -18.734
  693   2HB   HIS  89          1HB       HIS  89   3.804 -12.184 -19.377
  694    HD1  HIS  89           1HD      HIS  89   5.386 -15.400 -18.783
  695    HD2  HIS  89           2HD      HIS  89   6.654 -11.449 -19.108
  696    HE1  HIS  89           1HE      HIS  89   7.864 -15.510 -19.205
  697    HE2  HIS  89           2HE      HIS  89   8.633 -13.108 -19.227
  698    H    HIS  90           H        HIS  90   2.200 -12.940 -15.408
  699    HA   HIS  90           HA       HIS  90   3.995 -14.970 -14.238
  700   1HB   HIS  90          2HB       HIS  90   1.769 -13.422 -12.885
  701   2HB   HIS  90          1HB       HIS  90   2.777 -14.641 -12.118
  702    HD1  HIS  90           1HD      HIS  90   2.421 -11.259 -11.902
  703    HD2  HIS  90           2HD      HIS  90   5.724 -13.626 -12.770
  704    HE1  HIS  90           1HE      HIS  90   4.422  -9.851 -11.348
  705    HE2  HIS  90           2HE      HIS  90   6.412 -11.337 -11.771
  706    H    HIS  91           H        HIS  91   0.618 -14.155 -14.933
  707    HA   HIS  91           HA       HIS  91   0.027 -16.904 -15.582
  708   1HB   HIS  91          2HB       HIS  91  -1.854 -17.097 -13.951
  709   2HB   HIS  91          1HB       HIS  91  -0.266 -17.070 -13.197
  710    HD1  HIS  91           1HD      HIS  91  -3.481 -15.858 -12.560
  711    HD2  HIS  91           2HD      HIS  91   0.288 -14.087 -12.477
  712    HE1  HIS  91           1HE      HIS  91  -3.707 -13.832 -11.083
  713    HE2  HIS  91           2HE      HIS  91  -1.390 -12.834 -10.967
  714    H    HIS  92           H        HIS  92  -0.411 -13.677 -16.044
  715    HA   HIS  92           HA       HIS  92  -2.687 -14.163 -17.802
  716   1HB   HIS  92          2HB       HIS  92  -2.690 -12.358 -15.455
  717   2HB   HIS  92          1HB       HIS  92  -3.333 -11.670 -16.941
  718    HD1  HIS  92           1HD      HIS  92  -5.724 -12.113 -17.374
  719    HD2  HIS  92           2HD      HIS  92  -4.078 -14.882 -14.741
  720    HE1  HIS  92           1HE      HIS  92  -7.640 -13.570 -16.630
  721    HE2  HIS  92           2HE      HIS  92  -6.566 -15.381 -15.243
  722    H    HIS  93           H        HIS  93  -2.859 -12.635 -19.522
  723    HA   HIS  93           HA       HIS  93  -0.940 -10.486 -19.712
  724   1HB   HIS  93          2HB       HIS  93   0.057 -11.215 -21.829
  725   2HB   HIS  93          1HB       HIS  93   0.404 -12.362 -20.544
  726    HD1  HIS  93           1HD      HIS  93  -0.988 -12.101 -23.906
  727    HD2  HIS  93           2HD      HIS  93  -1.134 -14.825 -20.763
  728    HE1  HIS  93           1HE      HIS  93  -1.839 -14.246 -24.904
  729    HE2  HIS  93           2HE      HIS  93  -1.661 -15.931 -23.047
  730    H    HIS  94           H        HIS  94  -1.218  -9.708 -22.289
  731    HA   HIS  94           HA       HIS  94  -4.001  -9.833 -23.060
  732   1HB   HIS  94          2HB       HIS  94  -3.995  -8.109 -21.278
  733   2HB   HIS  94          1HB       HIS  94  -2.784  -7.202 -22.174
  734    HD1  HIS  94           1HD      HIS  94  -6.421  -8.175 -22.287
  735    HD2  HIS  94           2HD      HIS  94  -3.771  -5.618 -24.224
  736    HE1  HIS  94           1HE      HIS  94  -7.849  -6.646 -23.683
  737    HE2  HIS  94           2HE      HIS  94  -6.232  -5.083 -24.824
  Start of MODEL   20
    1   1H    MET   1          1HT       MET   1   0.071  16.569   4.499
    2   2H    MET   1          2HT       MET   1  -1.297  16.914   5.444
    3   3H    MET   1          3HT       MET   1  -0.774  15.317   5.256
    4    HA   MET   1           HA       MET   1   0.788  17.446   6.585
    5   1HB   MET   1          2HB       MET   1  -0.897  15.208   7.727
    6   2HB   MET   1          1HB       MET   1   0.270  16.126   8.668
    7   1HG   MET   1          2HG       MET   1  -2.153  17.253   7.280
    8   2HG   MET   1          1HG       MET   1  -1.985  16.952   9.008
    9   1HE   MET   1          1HE       MET   1  -2.768  19.468   9.401
   10   2HE   MET   1          2HE       MET   1  -2.823  19.785   7.668
   11   3HE   MET   1          3HE       MET   1  -1.940  20.878   8.734
   12    H    TYR   2           H        TYR   2   1.593  15.530   4.466
   13    HA   TYR   2           HA       TYR   2   3.480  13.931   6.070
   14   1HB   TYR   2          2HB       TYR   2   2.043  13.153   3.535
   15   2HB   TYR   2          1HB       TYR   2   3.457  12.293   4.132
   16    HD1  TYR   2           1HD      TYR   2   3.337  11.044   6.261
   17    HD2  TYR   2           2HD      TYR   2  -0.108  12.860   4.551
   18    HE1  TYR   2           1HE      TYR   2   1.900   9.658   7.699
   19    HE2  TYR   2           2HE      TYR   2  -1.553  11.483   5.986
   20    HH   TYR   2           HH       TYR   2  -1.367   9.248   7.179
   21    H    THR   3           H        THR   3   5.575  13.765   5.327
   22    HA   THR   3           HA       THR   3   6.321  15.391   3.016
   23    HB   THR   3           HB       THR   3   8.311  16.147   4.566
   24    HG1  THR   3           1HG      THR   3   7.598  16.423   6.732
   25   1HG2  THR   3          1HG2      THR   3   5.552  17.365   4.753
   26   2HG2  THR   3          2HG2      THR   3   6.736  17.671   3.484
   27   3HG2  THR   3          3HG2      THR   3   7.066  18.185   5.139
   28    H    ALA   4           H        ALA   4   9.067  15.207   3.214
   29    HA   ALA   4           HA       ALA   4   9.491  12.699   2.043
   30   1HB   ALA   4          1HB       ALA   4  10.825  14.684   1.540
   31   2HB   ALA   4          2HB       ALA   4  11.841  13.308   1.971
   32   3HB   ALA   4          3HB       ALA   4  11.554  14.598   3.141
   33    H    GLU   5           H        GLU   5  10.383  13.856   5.305
   34    HA   GLU   5           HA       GLU   5  11.786  11.500   6.015
   35   1HB   GLU   5          2HB       GLU   5  11.954  13.762   7.127
   36   2HB   GLU   5          1HB       GLU   5  10.418  13.412   7.902
   37   1HG   GLU   5          2HG       GLU   5  11.445  11.380   8.866
   38   2HG   GLU   5          1HG       GLU   5  12.995  11.914   8.223
   39    H    GLN   6           H        GLN   6   8.458  12.554   6.383
   40    HA   GLN   6           HA       GLN   6   7.474  10.436   7.912
   41   1HB   GLN   6          2HB       GLN   6   6.138  12.129   5.801
   42   2HB   GLN   6          1HB       GLN   6   5.269  10.929   6.744
   43   1HG   GLN   6          2HG       GLN   6   6.798  13.202   7.973
   44   2HG   GLN   6          1HG       GLN   6   5.094  13.300   7.541
   45   1HE2  GLN   6          1HE2      GLN   6   4.452  13.623   9.640
   46   2HE2  GLN   6          2HE2      GLN   6   4.471  12.372  10.835
   47    H    LYS   7           H        LYS   7   8.025  10.684   4.427
   48    HA   LYS   7           HA       LYS   7   6.783   8.319   3.609
   49   1HB   LYS   7          2HB       LYS   7   9.269   9.639   2.510
   50   2HB   LYS   7          1HB       LYS   7   8.413   8.328   1.716
   51   1HG   LYS   7          2HG       LYS   7   6.419   9.748   1.553
   52   2HG   LYS   7          1HG       LYS   7   7.320  11.070   2.302
   53   1HD   LYS   7          2HD       LYS   7   8.920  11.035   0.460
   54   2HD   LYS   7          1HD       LYS   7   8.050   9.690  -0.281
   55   1HE   LYS   7          2HE       LYS   7   6.061  11.113  -0.496
   56   2HE   LYS   7          1HE       LYS   7   6.955  12.457   0.211
   57   1HZ   LYS   7          1HZ       LYS   7   8.515  12.324  -1.656
   58   2HZ   LYS   7          2HZ       LYS   7   6.932  12.639  -2.172
   59   3HZ   LYS   7          3HZ       LYS   7   7.586  11.081  -2.350
   60    H    ALA   8           H        ALA   8   9.970   8.879   4.986
   61    HA   ALA   8           HA       ALA   8  10.967   6.253   4.602
   62   1HB   ALA   8          1HB       ALA   8  12.680   6.870   6.232
   63   2HB   ALA   8          2HB       ALA   8  11.751   8.301   6.678
   64   3HB   ALA   8          3HB       ALA   8  12.431   8.163   5.057
   65    H    ARG   9           H        ARG   9   9.298   7.857   7.269
   66    HA   ARG   9           HA       ARG   9   9.351   5.693   9.079
   67   1HB   ARG   9          2HB       ARG   9   7.289   7.898   8.861
   68   2HB   ARG   9          1HB       ARG   9   7.574   6.877  10.264
   69   1HG   ARG   9          2HG       ARG   9   9.829   7.826  10.479
   70   2HG   ARG   9          1HG       ARG   9   9.503   8.877   9.096
   71   1HD   ARG   9          2HD       ARG   9   7.588   9.836  10.344
   72   2HD   ARG   9          1HD       ARG   9   8.035   8.847  11.731
   73    HE   ARG   9           HE       ARG   9  10.070  10.649  10.691
   74   1HH1  ARG   9          1HH1      ARG   9   7.599  10.019  13.076
   75   2HH1  ARG   9          2HH1      ARG   9   8.191  11.204  14.200
   76   1HH2  ARG   9          1HH2      ARG   9  10.827  12.260  12.127
   77   2HH2  ARG   9          2HH2      ARG   9   9.994  12.516  13.642
   78    H    ILE  10           H        ILE  10   7.108   6.633   6.528
   79    HA   ILE  10           HA       ILE  10   5.125   4.691   7.028
   80    HB   ILE  10           HB       ILE  10   5.903   6.026   4.425
   81   1HG1  ILE  10          2HG1      ILE  10   3.647   6.613   6.354
   82   2HG1  ILE  10          1HG1      ILE  10   5.140   7.538   6.245
   83   1HG2  ILE  10          1HG2      ILE  10   4.700   3.965   3.969
   84   2HG2  ILE  10          2HG2      ILE  10   3.678   5.361   3.622
   85   3HG2  ILE  10          3HG2      ILE  10   3.433   4.434   5.102
   86   1HD1  ILE  10          1HD1      ILE  10   3.076   7.247   4.072
   87   2HD1  ILE  10          2HD1      ILE  10   4.566   8.183   3.961
   88   3HD1  ILE  10          3HD1      ILE  10   3.309   8.656   5.106
   89    H    LYS  11           H        LYS  11   8.014   4.665   4.972
   90    HA   LYS  11           HA       LYS  11   7.679   2.107   3.895
   91   1HB   LYS  11          2HB       LYS  11   9.363   3.839   3.167
   92   2HB   LYS  11          1HB       LYS  11  10.333   3.382   4.561
   93   1HG   LYS  11          2HG       LYS  11  10.533   1.117   3.709
   94   2HG   LYS  11          1HG       LYS  11   9.507   1.527   2.335
   95   1HD   LYS  11          2HD       LYS  11  11.192   3.243   1.679
   96   2HD   LYS  11          1HD       LYS  11  12.236   2.639   2.969
   97   1HE   LYS  11          2HE       LYS  11  12.873   1.652   0.844
   98   2HE   LYS  11          1HE       LYS  11  12.220   0.418   1.920
   99   1HZ   LYS  11          1HZ       LYS  11  10.203   0.358   0.717
  100   2HZ   LYS  11          2HZ       LYS  11  11.433   0.354  -0.455
  101   3HZ   LYS  11          3HZ       LYS  11  10.577   1.775  -0.137
  102    H    TRP  12           H        TRP  12   9.048   3.150   6.974
  103    HA   TRP  12           HA       TRP  12  10.052   0.643   7.794
  104   1HB   TRP  12          2HB       TRP  12   9.248   3.152   9.204
  105   2HB   TRP  12          1HB       TRP  12   9.543   1.701  10.156
  106    HD1  TRP  12           HD       TRP  12  11.515   3.318   7.209
  107    HE1  TRP  12           1HE      TRP  12  13.984   3.462   7.909
  108    HE3  TRP  12           3HE      TRP  12  11.123   1.387  11.922
  109    HZ2  TRP  12           2HZ      TRP  12  15.555   2.853  10.171
  110    HZ3  TRP  12           3HZ      TRP  12  13.158   1.209  13.296
  111    HH2  TRP  12           HH       TRP  12  15.330   1.928  12.435
  112    H    ALA  13           H        ALA  13   6.837   1.886   7.607
  113    HA   ALA  13           HA       ALA  13   5.765  -0.123   9.415
  114   1HB   ALA  13          1HB       ALA  13   3.618   0.966   9.027
  115   2HB   ALA  13          2HB       ALA  13   4.356   2.002   7.806
  116   3HB   ALA  13          3HB       ALA  13   4.849   2.138   9.495
  117    H    CYS  14           H        CYS  14   6.945  -0.463   6.492
  118    HA   CYS  14           HA       CYS  14   4.850  -1.642   4.989
  119   1HB   CYS  14          2HB       CYS  14   6.635  -2.649   3.634
  120   2HB   CYS  14          1HB       CYS  14   6.958  -0.947   3.941
  121    HG   CYS  14           HG       CYS  14   9.191  -1.217   5.217
  122    H    ARG  15           H        ARG  15   6.868  -2.720   7.560
  123    HA   ARG  15           HA       ARG  15   6.755  -4.510   8.949
  124   1HB   ARG  15          2HB       ARG  15   4.197  -4.264   8.172
  125   2HB   ARG  15          1HB       ARG  15   4.547  -5.836   7.473
  126   1HG   ARG  15          2HG       ARG  15   3.576  -6.147   9.630
  127   2HG   ARG  15          1HG       ARG  15   5.278  -6.612   9.710
  128   1HD   ARG  15          2HD       ARG  15   5.860  -4.735  10.948
  129   2HD   ARG  15          1HD       ARG  15   4.438  -3.830  10.428
  130    HE   ARG  15           HE       ARG  15   3.511  -6.013  11.855
  131   1HH1  ARG  15          1HH1      ARG  15   5.534  -3.214  12.533
  132   2HH1  ARG  15          2HH1      ARG  15   4.952  -3.046  14.165
  133   1HH2  ARG  15          1HH2      ARG  15   2.801  -5.813  13.990
  134   2HH2  ARG  15          2HH2      ARG  15   3.407  -4.537  14.997
  135    H    ARG  16           H        ARG  16   8.499  -5.734   8.663
  136    HA   ARG  16           HA       ARG  16   9.302  -6.808   6.209
  137   1HB   ARG  16          2HB       ARG  16  11.096  -7.867   7.345
  138   2HB   ARG  16          1HB       ARG  16  10.807  -6.357   8.189
  139   1HG   ARG  16          2HG       ARG  16   9.662  -8.964   9.137
  140   2HG   ARG  16          1HG       ARG  16  11.273  -8.416   9.593
  141   1HD   ARG  16          2HD       ARG  16  10.381  -6.484  10.682
  142   2HD   ARG  16          1HD       ARG  16   8.767  -6.806  10.046
  143    HE   ARG  16           HE       ARG  16   8.817  -8.875  11.447
  144   1HH1  ARG  16          1HH1      ARG  16  10.836  -6.128  12.310
  145   2HH1  ARG  16          2HH1      ARG  16  10.889  -6.546  13.996
  146   1HH2  ARG  16          1HH2      ARG  16   8.879  -9.404  13.633
  147   2HH2  ARG  16          2HH2      ARG  16   9.790  -8.428  14.746
  148    H    GLY  17           H        GLY  17   8.957  -8.679   5.203
  149   1HA   GLY  17          2HA       GLY  17   8.221 -11.123   6.214
  150   2HA   GLY  17          1HA       GLY  17   6.709 -10.248   6.013
  151    H    MET  18           H        MET  18   7.183  -8.820   3.716
  152    HA   MET  18           HA       MET  18   8.293 -10.553   1.696
  153   1HB   MET  18          2HB       MET  18   6.265 -10.630   0.330
  154   2HB   MET  18          1HB       MET  18   6.029 -11.447   1.864
  155   1HG   MET  18          2HG       MET  18   4.855  -9.459   2.710
  156   2HG   MET  18          1HG       MET  18   5.051  -8.697   1.132
  157   1HE   MET  18          1HE       MET  18   4.694 -11.261  -0.770
  158   2HE   MET  18          2HE       MET  18   3.939  -9.709  -1.132
  159   3HE   MET  18          3HE       MET  18   2.971 -11.183  -1.141
  160    H    LEU  19           H        LEU  19   8.954  -9.444  -0.099
  161    HA   LEU  19           HA       LEU  19   9.169  -6.592   0.271
  162   1HB   LEU  19          2HB       LEU  19  10.294  -8.497  -1.772
  163   2HB   LEU  19          1HB       LEU  19  10.606  -6.777  -1.783
  164    HG   LEU  19           HG       LEU  19  11.371  -8.677   0.432
  165   1HD1  LEU  19          1HD1      LEU  19  13.052  -7.306  -1.662
  166   2HD1  LEU  19          2HD1      LEU  19  12.695  -9.031  -1.575
  167   3HD1  LEU  19          3HD1      LEU  19  13.666  -8.267  -0.317
  168   1HD2  LEU  19          1HD2      LEU  19  11.992  -5.748   0.063
  169   2HD2  LEU  19          2HD2      LEU  19  12.603  -6.783   1.354
  170   3HD2  LEU  19          3HD2      LEU  19  10.879  -6.426   1.251
  171    H    GLU  20           H        GLU  20   7.286  -8.760  -1.606
  172    HA   GLU  20           HA       GLU  20   6.719  -7.155  -3.824
  173   1HB   GLU  20          2HB       GLU  20   5.201  -9.399  -2.538
  174   2HB   GLU  20          1HB       GLU  20   4.621  -8.587  -3.987
  175   1HG   GLU  20          2HG       GLU  20   7.284  -9.968  -3.721
  176   2HG   GLU  20          1HG       GLU  20   5.849 -10.656  -4.474
  177    H    LEU  21           H        LEU  21   5.556  -6.891  -0.575
  178    HA   LEU  21           HA       LEU  21   3.262  -5.303  -1.326
  179   1HB   LEU  21          2HB       LEU  21   4.512  -5.924   1.341
  180   2HB   LEU  21          1HB       LEU  21   3.188  -4.787   1.170
  181    HG   LEU  21           HG       LEU  21   3.129  -7.746   0.570
  182   1HD1  LEU  21          1HD1      LEU  21   1.393  -7.762   2.313
  183   2HD1  LEU  21          2HD1      LEU  21   1.673  -6.044   2.593
  184   3HD1  LEU  21          3HD1      LEU  21   2.952  -7.212   2.929
  185   1HD2  LEU  21          1HD2      LEU  21   0.963  -5.687   0.147
  186   2HD2  LEU  21          2HD2      LEU  21   0.776  -7.434  -0.017
  187   3HD2  LEU  21          3HD2      LEU  21   1.833  -6.552  -1.120
  188    H    ASP  22           H        ASP  22   6.528  -4.702  -0.102
  189    HA   ASP  22           HA       ASP  22   6.238  -1.940   0.349
  190   1HB   ASP  22          2HB       ASP  22   8.151  -3.091   1.253
  191   2HB   ASP  22          1HB       ASP  22   8.681  -3.579  -0.352
  192    H    VAL  23           H        VAL  23   7.150  -3.762  -2.531
  193    HA   VAL  23           HA       VAL  23   7.889  -1.468  -4.048
  194    HB   VAL  23           HB       VAL  23   7.947  -2.974  -5.987
  195   1HG1  VAL  23          1HG1      VAL  23   9.886  -2.827  -4.537
  196   2HG1  VAL  23          2HG1      VAL  23   9.709  -4.468  -5.159
  197   3HG1  VAL  23          3HG1      VAL  23   9.232  -4.096  -3.502
  198   1HG2  VAL  23          1HG2      VAL  23   6.053  -4.393  -5.481
  199   2HG2  VAL  23          2HG2      VAL  23   6.882  -5.036  -4.064
  200   3HG2  VAL  23          3HG2      VAL  23   7.505  -5.376  -5.679
  201    H    VAL  24           H        VAL  24   4.824  -2.691  -3.231
  202    HA   VAL  24           HA       VAL  24   3.651  -1.361  -5.578
  203    HB   VAL  24           HB       VAL  24   1.553  -2.467  -5.096
  204   1HG1  VAL  24          1HG1      VAL  24   2.220  -4.790  -5.535
  205   2HG1  VAL  24          2HG1      VAL  24   3.882  -4.377  -5.114
  206   3HG1  VAL  24          3HG1      VAL  24   3.117  -3.632  -6.518
  207   1HG2  VAL  24          1HG2      VAL  24   1.347  -4.163  -3.342
  208   2HG2  VAL  24          2HG2      VAL  24   1.666  -2.564  -2.669
  209   3HG2  VAL  24          3HG2      VAL  24   2.963  -3.757  -2.762
  210    H    ILE  25           H        ILE  25   4.240  -0.934  -2.274
  211    HA   ILE  25           HA       ILE  25   1.982   0.875  -1.906
  212    HB   ILE  25           HB       ILE  25   4.086  -0.092   0.032
  213   1HG1  ILE  25          2HG1      ILE  25   1.102  -0.598  -0.128
  214   2HG1  ILE  25          1HG1      ILE  25   2.358  -1.739  -0.599
  215   1HG2  ILE  25          1HG2      ILE  25   3.472   2.195   0.591
  216   2HG2  ILE  25          2HG2      ILE  25   2.805   1.068   1.774
  217   3HG2  ILE  25          3HG2      ILE  25   1.762   1.765   0.534
  218   1HD1  ILE  25          1HD1      ILE  25   1.925  -0.664   2.180
  219   2HD1  ILE  25          2HD1      ILE  25   3.133  -1.854   1.700
  220   3HD1  ILE  25          3HD1      ILE  25   1.417  -2.248   1.598
  221    H    MET  26           H        MET  26   5.547   1.026  -1.522
  222    HA   MET  26           HA       MET  26   5.574   3.769  -0.925
  223   1HB   MET  26          2HB       MET  26   7.427   2.238  -0.381
  224   2HB   MET  26          1HB       MET  26   7.832   2.137  -2.090
  225   1HG   MET  26          2HG       MET  26   8.290   4.538  -2.122
  226   2HG   MET  26          1HG       MET  26   7.890   4.632  -0.407
  227   1HE   MET  26          1HE       MET  26  10.204   5.814   0.085
  228   2HE   MET  26          2HE       MET  26  10.626   5.731  -1.625
  229   3HE   MET  26          3HE       MET  26  11.766   5.159  -0.405
  230    HA   PRO  27           HA       PRO  27   6.805   4.569  -5.612
  231   1HB   PRO  27          2HB       PRO  27   5.444   2.225  -6.839
  232   2HB   PRO  27          1HB       PRO  27   6.956   3.018  -7.298
  233   1HG   PRO  27          2HG       PRO  27   6.998   0.666  -6.071
  234   2HG   PRO  27          1HG       PRO  27   8.184   1.920  -5.661
  235   1HD   PRO  27          2HD       PRO  27   5.722   1.080  -4.175
  236   2HD   PRO  27          1HD       PRO  27   7.327   1.507  -3.545
  237    H    PHE  28           H        PHE  28   3.849   2.953  -4.627
  238    HA   PHE  28           HA       PHE  28   2.101   4.349  -6.382
  239   1HB   PHE  28          2HB       PHE  28   1.432   2.233  -5.364
  240   2HB   PHE  28          1HB       PHE  28   1.558   2.938  -3.756
  241    HD1  PHE  28           1HD      PHE  28  -0.290   3.196  -6.957
  242    HD2  PHE  28           2HD      PHE  28  -0.277   3.994  -2.776
  243    HE1  PHE  28           1HE      PHE  28  -2.654   3.867  -7.079
  244    HE2  PHE  28           2HE      PHE  28  -2.638   4.670  -2.892
  245    HZ   PHE  28           HZ       PHE  28  -3.830   4.607  -5.044
  246    H    PHE  29           H        PHE  29   3.085   4.790  -3.012
  247    HA   PHE  29           HA       PHE  29   1.467   7.003  -2.424
  248   1HB   PHE  29          2HB       PHE  29   2.703   5.625  -0.751
  249   2HB   PHE  29          1HB       PHE  29   4.201   6.368  -1.295
  250    HD1  PHE  29           1HD      PHE  29   0.888   7.167   0.168
  251    HD2  PHE  29           2HD      PHE  29   4.942   8.346  -0.335
  252    HE1  PHE  29           1HE      PHE  29   0.555   8.984   1.797
  253    HE2  PHE  29           2HE      PHE  29   4.620  10.168   1.286
  254    HZ   PHE  29           HZ       PHE  29   2.424  10.488   2.356
  255    H    GLU  30           H        GLU  30   4.689   6.779  -3.844
  256    HA   GLU  30           HA       GLU  30   5.395   9.474  -3.853
  257   1HB   GLU  30          2HB       GLU  30   6.030   7.323  -5.880
  258   2HB   GLU  30          1HB       GLU  30   6.832   8.876  -5.777
  259   1HG   GLU  30          2HG       GLU  30   6.752   7.145  -3.405
  260   2HG   GLU  30          1HG       GLU  30   7.887   6.792  -4.695
  261    H    GLU  31           H        GLU  31   3.480   7.636  -6.161
  262    HA   GLU  31           HA       GLU  31   3.165   9.889  -7.945
  263   1HB   GLU  31          2HB       GLU  31   1.752   7.217  -7.958
  264   2HB   GLU  31          1HB       GLU  31   1.756   8.392  -9.263
  265   1HG   GLU  31          2HG       GLU  31   4.132   6.863  -8.235
  266   2HG   GLU  31          1HG       GLU  31   3.266   6.575  -9.743
  267    H    CYS  32           H        CYS  32   1.130   8.102  -5.679
  268    HA   CYS  32           HA       CYS  32  -1.236   9.515  -6.499
  269   1HB   CYS  32          2HB       CYS  32  -1.020   7.043  -5.770
  270   2HB   CYS  32          1HB       CYS  32  -1.087   7.680  -4.131
  271    HG   CYS  32           HG       CYS  32  -3.545   7.067  -6.225
  272    H    PHE  33           H        PHE  33   1.180  10.030  -4.149
  273    HA   PHE  33           HA       PHE  33  -0.095  11.039  -1.937
  274   1HB   PHE  33          2HB       PHE  33   2.292  10.806  -1.979
  275   2HB   PHE  33          1HB       PHE  33   2.442  11.958  -3.295
  276    HD1  PHE  33           2HD      PHE  33   1.810  11.553   0.294
  277    HD2  PHE  33           1HD      PHE  33   2.456  14.319  -2.874
  278    HE1  PHE  33           2HE      PHE  33   2.177  13.348   1.937
  279    HE2  PHE  33           1HE      PHE  33   2.831  16.116  -1.239
  280    HZ   PHE  33           HZ       PHE  33   2.688  15.635   1.170
  281    H    ASP  34           H        ASP  34   0.465  12.689  -5.005
  282    HA   ASP  34           HA       ASP  34  -0.345  15.256  -4.110
  283   1HB   ASP  34          2HB       ASP  34   1.074  14.937  -6.081
  284   2HB   ASP  34          1HB       ASP  34  -0.248  14.126  -6.914
  285    H    SER  35           H        SER  35  -2.108  12.459  -5.095
  286    HA   SER  35           HA       SER  35  -4.540  14.030  -5.571
  287   1HB   SER  35          2HB       SER  35  -4.046  11.087  -6.081
  288   2HB   SER  35          1HB       SER  35  -5.438  12.032  -6.619
  289    HG   SER  35           HG       SER  35  -3.677  13.395  -7.660
  290    H    LEU  36           H        LEU  36  -3.070  11.872  -3.313
  291    HA   LEU  36           HA       LEU  36  -5.460  10.910  -2.090
  292   1HB   LEU  36          2HB       LEU  36  -2.601  10.999  -1.140
  293   2HB   LEU  36          1HB       LEU  36  -3.898  10.258  -0.224
  294    HG   LEU  36           HG       LEU  36  -3.018   9.388  -2.980
  295   1HD1  LEU  36          1HD1      LEU  36  -2.084   7.436  -1.829
  296   2HD1  LEU  36          2HD1      LEU  36  -2.487   8.164  -0.274
  297   3HD1  LEU  36          3HD1      LEU  36  -1.297   8.932  -1.325
  298   1HD2  LEU  36          1HD2      LEU  36  -4.935   8.137  -1.014
  299   2HD2  LEU  36          2HD2      LEU  36  -4.432   7.441  -2.556
  300   3HD2  LEU  36          3HD2      LEU  36  -5.373   8.932  -2.526
  301    H    THR  37           H        THR  37  -6.631  11.703  -0.455
  302    HA   THR  37           HA       THR  37  -6.085  14.398   0.460
  303    HB   THR  37           HB       THR  37  -8.223  14.149   1.704
  304    HG1  THR  37           1HG      THR  37  -8.492  11.636   0.387
  305   1HG2  THR  37          1HG2      THR  37  -9.690  14.022  -0.266
  306   2HG2  THR  37          2HG2      THR  37  -8.355  13.360  -1.211
  307   3HG2  THR  37          3HG2      THR  37  -8.259  15.004  -0.580
  308    H    GLU  38           H        GLU  38  -6.184  14.902   2.786
  309    HA   GLU  38           HA       GLU  38  -4.306  13.558   4.340
  310   1HB   GLU  38          2HB       GLU  38  -6.641  15.204   5.354
  311   2HB   GLU  38          1HB       GLU  38  -5.115  14.923   6.176
  312   1HG   GLU  38          2HG       GLU  38  -5.375  16.380   3.561
  313   2HG   GLU  38          1HG       GLU  38  -5.353  17.171   5.133
  314    H    SER  39           H        SER  39  -7.822  13.274   4.248
  315    HA   SER  39           HA       SER  39  -8.233  11.543   6.372
  316   1HB   SER  39          2HB       SER  39  -9.758  11.489   3.766
  317   2HB   SER  39          1HB       SER  39 -10.357  11.105   5.376
  318    HG   SER  39           HG       SER  39  -9.695  13.418   5.835
  319    H    GLU  40           H        GLU  40  -7.752  10.737   2.923
  320    HA   GLU  40           HA       GLU  40  -7.721   7.939   3.228
  321   1HB   GLU  40          2HB       GLU  40  -6.337   9.691   1.186
  322   2HB   GLU  40          1HB       GLU  40  -6.502   7.950   1.048
  323   1HG   GLU  40          2HG       GLU  40  -8.844   8.100   0.776
  324   2HG   GLU  40          1HG       GLU  40  -8.858   9.800   1.250
  325    H    GLN  41           H        GLN  41  -5.153  10.329   3.150
  326    HA   GLN  41           HA       GLN  41  -2.974   8.589   3.243
  327   1HB   GLN  41          2HB       GLN  41  -3.443  11.476   3.773
  328   2HB   GLN  41          1HB       GLN  41  -1.896  10.796   4.240
  329   1HG   GLN  41          2HG       GLN  41  -1.487  10.067   1.976
  330   2HG   GLN  41          1HG       GLN  41  -3.092  10.606   1.487
  331   1HE2  GLN  41          1HE2      GLN  41  -2.944  13.028   3.107
  332   2HE2  GLN  41          2HE2      GLN  41  -1.872  14.090   2.273
  333    H    ASP  42           H        ASP  42  -4.893   9.969   5.850
  334    HA   ASP  42           HA       ASP  42  -3.049   9.198   7.909
  335   1HB   ASP  42          2HB       ASP  42  -4.594  11.065   8.243
  336   2HB   ASP  42          1HB       ASP  42  -5.966   9.976   8.075
  337    H    ASP  43           H        ASP  43  -6.102   7.905   6.687
  338    HA   ASP  43           HA       ASP  43  -6.236   5.771   8.556
  339   1HB   ASP  43          2HB       ASP  43  -8.152   6.785   7.210
  340   2HB   ASP  43          1HB       ASP  43  -7.568   5.833   5.851
  341    H    PHE  44           H        PHE  44  -4.878   6.146   5.347
  342    HA   PHE  44           HA       PHE  44  -4.303   3.467   4.763
  343   1HB   PHE  44          2HB       PHE  44  -4.147   5.305   3.125
  344   2HB   PHE  44          1HB       PHE  44  -2.753   5.948   3.984
  345    HD1  PHE  44           1HD      PHE  44  -3.979   3.258   1.822
  346    HD2  PHE  44           2HD      PHE  44  -0.586   4.948   3.758
  347    HE1  PHE  44           1HE      PHE  44  -2.500   1.874   0.429
  348    HE2  PHE  44           2HE      PHE  44   0.901   3.567   2.367
  349    HZ   PHE  44           HZ       PHE  44  -0.057   2.025   0.699
  350    H    VAL  45           H        VAL  45  -2.278   5.950   6.328
  351    HA   VAL  45           HA       VAL  45  -0.108   4.168   6.798
  352    HB   VAL  45           HB       VAL  45  -0.738   6.824   8.104
  353   1HG1  VAL  45          1HG1      VAL  45   0.789   5.473   9.470
  354   2HG1  VAL  45          2HG1      VAL  45   1.602   6.874   8.771
  355   3HG1  VAL  45          3HG1      VAL  45   1.850   5.272   8.075
  356   1HG2  VAL  45          1HG2      VAL  45   1.101   6.122   5.817
  357   2HG2  VAL  45          2HG2      VAL  45   0.918   7.721   6.539
  358   3HG2  VAL  45          3HG2      VAL  45  -0.435   6.977   5.688
  359    H    ALA  46           H        ALA  46  -2.850   5.262   8.737
  360    HA   ALA  46           HA       ALA  46  -2.138   4.135  11.189
  361   1HB   ALA  46          1HB       ALA  46  -4.497   4.232  11.746
  362   2HB   ALA  46          2HB       ALA  46  -4.909   4.424  10.043
  363   3HB   ALA  46          3HB       ALA  46  -4.008   5.689  10.881
  364    H    LEU  47           H        LEU  47  -3.497   2.650   8.326
  365    HA   LEU  47           HA       LEU  47  -4.366   0.231   9.489
  366   1HB   LEU  47          2HB       LEU  47  -5.094   0.948   7.283
  367   2HB   LEU  47          1HB       LEU  47  -3.453   0.823   6.677
  368    HG   LEU  47           HG       LEU  47  -3.535  -1.632   7.128
  369   1HD1  LEU  47          1HD1      LEU  47  -5.701  -2.685   7.490
  370   2HD1  LEU  47          2HD1      LEU  47  -6.456  -1.097   7.633
  371   3HD1  LEU  47          3HD1      LEU  47  -5.276  -1.623   8.833
  372   1HD2  LEU  47          1HD2      LEU  47  -5.656  -0.559   5.273
  373   2HD2  LEU  47          2HD2      LEU  47  -4.925  -2.163   5.194
  374   3HD2  LEU  47          3HD2      LEU  47  -3.941  -0.729   4.896
  375    H    LEU  48           H        LEU  48  -1.272   1.269   8.212
  376    HA   LEU  48           HA       LEU  48  -0.126  -1.315   8.012
  377   1HB   LEU  48          2HB       LEU  48   1.203   1.388   8.167
  378   2HB   LEU  48          1HB       LEU  48   1.995  -0.104   7.695
  379    HG   LEU  48           HG       LEU  48  -0.256   1.240   6.193
  380   1HD1  LEU  48          1HD1      LEU  48   2.687   1.024   5.587
  381   2HD1  LEU  48          2HD1      LEU  48   1.806   2.490   6.022
  382   3HD1  LEU  48          3HD1      LEU  48   1.461   1.673   4.497
  383   1HD2  LEU  48          1HD2      LEU  48   0.238  -0.421   4.445
  384   2HD2  LEU  48          2HD2      LEU  48  -0.354  -1.165   5.930
  385   3HD2  LEU  48          3HD2      LEU  48   1.367  -1.219   5.542
  386    H    GLU  49           H        GLU  49  -0.652   0.733  10.694
  387    HA   GLU  49           HA       GLU  49   1.659   0.096  12.206
  388   1HB   GLU  49          2HB       GLU  49  -1.045   1.047  13.141
  389   2HB   GLU  49          1HB       GLU  49   0.404   0.986  14.134
  390   1HG   GLU  49          2HG       GLU  49   1.473   2.542  12.464
  391   2HG   GLU  49          1HG       GLU  49  -0.130   2.735  11.750
  392    H    SER  50           H        SER  50  -1.577  -1.358  12.054
  393    HA   SER  50           HA       SER  50  -0.517  -3.539  13.725
  394   1HB   SER  50          2HB       SER  50  -3.407  -2.728  13.645
  395   2HB   SER  50          1HB       SER  50  -2.627  -3.814  14.780
  396    HG   SER  50           HG       SER  50  -2.535  -1.003  14.643
  397    H    ASP  51           H        ASP  51  -0.216  -5.201  12.504
  398    HA   ASP  51           HA       ASP  51  -0.443  -6.883  10.995
  399   1HB   ASP  51          2HB       ASP  51  -2.475  -7.072  12.666
  400   2HB   ASP  51          1HB       ASP  51  -3.420  -6.675  11.235
  401    H    ASP  52           H        ASP  52  -2.486  -7.481   9.155
  402    HA   ASP  52           HA       ASP  52  -3.012  -5.158   7.523
  403   1HB   ASP  52          2HB       ASP  52  -1.899  -6.118   5.526
  404   2HB   ASP  52          1HB       ASP  52  -0.753  -5.688   6.784
  405    HA   PRO  53           HA       PRO  53  -5.717  -9.040   7.468
  406   1HB   PRO  53          2HB       PRO  53  -7.829  -7.619   8.851
  407   2HB   PRO  53          1HB       PRO  53  -6.932  -9.044   9.376
  408   1HG   PRO  53          2HG       PRO  53  -6.700  -6.593  10.561
  409   2HG   PRO  53          1HG       PRO  53  -5.408  -7.808  10.555
  410   1HD   PRO  53          2HD       PRO  53  -5.746  -5.385   8.828
  411   2HD   PRO  53          1HD       PRO  53  -4.273  -6.044   9.574
  412    H    ASP  54           H        ASP  54  -7.119  -5.769   7.318
  413    HA   ASP  54           HA       ASP  54  -9.105  -6.417   5.412
  414   1HB   ASP  54          2HB       ASP  54  -7.858  -3.721   6.017
  415   2HB   ASP  54          1HB       ASP  54  -9.359  -3.982   5.134
  416    H    LEU  55           H        LEU  55  -5.789  -5.362   5.185
  417    HA   LEU  55           HA       LEU  55  -5.828  -4.702   2.412
  418   1HB   LEU  55          2HB       LEU  55  -4.193  -3.936   4.233
  419   2HB   LEU  55          1HB       LEU  55  -3.425  -5.498   4.056
  420    HG   LEU  55           HG       LEU  55  -3.728  -3.603   1.734
  421   1HD1  LEU  55          1HD1      LEU  55  -2.535  -2.446   3.530
  422   2HD1  LEU  55          2HD1      LEU  55  -1.466  -2.831   2.181
  423   3HD1  LEU  55          3HD1      LEU  55  -1.412  -3.801   3.654
  424   1HD2  LEU  55          1HD2      LEU  55  -1.825  -4.857   0.846
  425   2HD2  LEU  55          2HD2      LEU  55  -3.192  -5.920   1.176
  426   3HD2  LEU  55          3HD2      LEU  55  -1.821  -5.876   2.286
  427    H    PHE  56           H        PHE  56  -4.517  -7.472   4.230
  428    HA   PHE  56           HA       PHE  56  -3.753  -9.061   2.097
  429   1HB   PHE  56          2HB       PHE  56  -3.309  -9.446   4.554
  430   2HB   PHE  56          1HB       PHE  56  -4.947 -10.058   4.684
  431    HD1  PHE  56           1HD      PHE  56  -1.658 -10.665   3.124
  432    HD2  PHE  56           2HD      PHE  56  -5.487 -12.270   4.066
  433    HE1  PHE  56           1HE      PHE  56  -0.864 -12.912   2.514
  434    HE2  PHE  56           2HE      PHE  56  -4.698 -14.518   3.449
  435    HZ   PHE  56           HZ       PHE  56  -2.386 -14.842   2.675
  436    H    ALA  57           H        ALA  57  -6.922  -8.674   3.586
  437    HA   ALA  57           HA       ALA  57  -8.210 -10.890   2.473
  438   1HB   ALA  57          1HB       ALA  57  -9.433  -8.245   3.238
  439   2HB   ALA  57          2HB       ALA  57  -9.095  -9.575   4.345
  440   3HB   ALA  57          3HB       ALA  57 -10.281  -9.781   3.058
  441    H    TRP  58           H        TRP  58  -8.139  -7.514   1.284
  442    HA   TRP  58           HA       TRP  58  -9.785  -8.226  -0.968
  443   1HB   TRP  58          2HB       TRP  58  -8.400  -5.674  -0.162
  444   2HB   TRP  58          1HB       TRP  58  -9.264  -5.835  -1.689
  445    HD1  TRP  58           HD       TRP  58 -10.205  -6.775   1.970
  446    HE1  TRP  58           1HE      TRP  58 -12.573  -5.890   2.426
  447    HE3  TRP  58           3HE      TRP  58 -11.145  -4.552  -2.552
  448    HZ2  TRP  58           2HZ      TRP  58 -14.566  -4.435   1.075
  449    HZ3  TRP  58           3HZ      TRP  58 -13.319  -3.422  -2.870
  450    HH2  TRP  58           HH       TRP  58 -14.986  -3.372  -1.097
  451    H    VAL  59           H        VAL  59  -6.354  -7.773  -0.395
  452    HA   VAL  59           HA       VAL  59  -5.588  -7.748  -3.131
  453    HB   VAL  59           HB       VAL  59  -4.005  -8.479  -0.658
  454   1HG1  VAL  59          1HG1      VAL  59  -3.033  -8.092  -3.488
  455   2HG1  VAL  59          2HG1      VAL  59  -3.037  -9.610  -2.590
  456   3HG1  VAL  59          3HG1      VAL  59  -2.004  -8.278  -2.068
  457   1HG2  VAL  59          1HG2      VAL  59  -4.044  -6.017  -2.400
  458   2HG2  VAL  59          2HG2      VAL  59  -2.957  -6.285  -1.036
  459   3HG2  VAL  59          3HG2      VAL  59  -4.697  -6.149  -0.768
  460    H    MET  60           H        MET  60  -5.823 -10.356  -0.725
  461    HA   MET  60           HA       MET  60  -5.063 -12.342  -2.683
  462   1HB   MET  60          2HB       MET  60  -6.012 -12.558   0.175
  463   2HB   MET  60          1HB       MET  60  -5.606 -13.950  -0.818
  464   1HG   MET  60          2HG       MET  60  -3.727 -11.715  -0.089
  465   2HG   MET  60          1HG       MET  60  -3.782 -13.304   0.673
  466   1HE   MET  60          1HE       MET  60  -1.161 -13.528   0.191
  467   2HE   MET  60          2HE       MET  60  -1.154 -11.960  -0.617
  468   3HE   MET  60          3HE       MET  60  -0.447 -13.366  -1.414
  469    H    GLY  61           H        GLY  61  -7.926 -10.769  -1.784
  470   1HA   GLY  61          2HA       GLY  61 -10.098 -11.027  -2.485
  471   2HA   GLY  61          1HA       GLY  61  -9.475 -12.116  -3.718
  472    H    HIS  62           H        HIS  62  -9.540 -12.299  -0.176
  473    HA   HIS  62           HA       HIS  62 -11.176 -14.713  -0.338
  474   1HB   HIS  62          2HB       HIS  62  -8.319 -14.606   0.531
  475   2HB   HIS  62          1HB       HIS  62  -9.408 -15.704   1.368
  476    HD1  HIS  62           1HD      HIS  62  -7.910 -15.078  -2.050
  477    HD2  HIS  62           2HD      HIS  62 -10.045 -18.001  -0.001
  478    HE1  HIS  62           1HE      HIS  62  -7.851 -17.117  -3.519
  479    HE2  HIS  62           2HE      HIS  62  -9.123 -18.887  -2.248
  480    H    GLY  63           H        GLY  63 -11.557 -11.979   0.731
  481   1HA   GLY  63          2HA       GLY  63 -12.603 -12.717   3.287
  482   2HA   GLY  63          1HA       GLY  63 -11.148 -11.752   3.456
  483    H    ARG  64           H        ARG  64 -12.648 -10.339   4.600
  484    HA   ARG  64           HA       ARG  64 -13.848  -8.388   2.775
  485   1HB   ARG  64          2HB       ARG  64 -15.631  -9.959   3.555
  486   2HB   ARG  64          1HB       ARG  64 -15.267  -9.498   5.209
  487   1HG   ARG  64          2HG       ARG  64 -16.000  -7.242   4.790
  488   2HG   ARG  64          1HG       ARG  64 -16.231  -7.603   3.075
  489   1HD   ARG  64          2HD       ARG  64 -17.941  -9.251   3.656
  490   2HD   ARG  64          1HD       ARG  64 -17.710  -8.891   5.367
  491    HE   ARG  64           HE       ARG  64 -18.429  -6.536   4.693
  492   1HH1  ARG  64          1HH1      ARG  64 -19.543  -9.451   3.081
  493   2HH1  ARG  64          2HH1      ARG  64 -21.073  -8.763   2.631
  494   1HH2  ARG  64          1HH2      ARG  64 -20.459  -5.640   4.107
  495   2HH2  ARG  64          2HH2      ARG  64 -21.599  -6.612   3.224
  496    H    CYS  65           H        CYS  65 -14.179  -6.274   3.879
  497    HA   CYS  65           HA       CYS  65 -12.175  -5.929   6.005
  498   1HB   CYS  65          2HB       CYS  65 -12.055  -3.587   5.279
  499   2HB   CYS  65          1HB       CYS  65 -11.719  -4.682   3.944
  500    HG   CYS  65           HG       CYS  65 -13.750  -2.224   3.955
  501    H    GLU  66           H        GLU  66 -12.653  -4.153   7.575
  502    HA   GLU  66           HA       GLU  66 -15.333  -4.455   8.587
  503   1HB   GLU  66          2HB       GLU  66 -12.829  -3.197   9.554
  504   2HB   GLU  66          1HB       GLU  66 -14.338  -2.549  10.184
  505   1HG   GLU  66          2HG       GLU  66 -13.469  -5.428  10.311
  506   2HG   GLU  66          1HG       GLU  66 -13.437  -4.269  11.641
  507    H    ASN  67           H        ASN  67 -13.434  -1.753   7.266
  508    HA   ASN  67           HA       ASN  67 -15.994  -0.429   6.670
  509   1HB   ASN  67          2HB       ASN  67 -15.118   1.729   7.183
  510   2HB   ASN  67          1HB       ASN  67 -14.743   0.699   8.559
  511   1HD2  ASN  67          1HD2      ASN  67 -12.613   0.235   9.037
  512   2HD2  ASN  67          2HD2      ASN  67 -11.290   1.038   8.251
  513    H    LEU  68           H        LEU  68 -16.053   0.806   4.746
  514    HA   LEU  68           HA       LEU  68 -14.419  -0.358   2.694
  515   1HB   LEU  68          2HB       LEU  68 -16.641   1.656   2.618
  516   2HB   LEU  68          1HB       LEU  68 -15.749   1.183   1.186
  517    HG   LEU  68           HG       LEU  68 -17.584  -0.496   2.877
  518   1HD1  LEU  68          1HD1      LEU  68 -18.688  -0.890   0.749
  519   2HD1  LEU  68          2HD1      LEU  68 -17.474   0.089  -0.076
  520   3HD1  LEU  68          3HD1      LEU  68 -18.575   0.838   1.084
  521   1HD2  LEU  68          1HD2      LEU  68 -16.927  -2.433   1.546
  522   2HD2  LEU  68          2HD2      LEU  68 -15.565  -1.816   2.481
  523   3HD2  LEU  68          3HD2      LEU  68 -15.676  -1.475   0.755
  524    H    GLY  69           H        GLY  69 -14.154   2.441   4.612
  525   1HA   GLY  69          2HA       GLY  69 -12.793   4.182   2.879
  526   2HA   GLY  69          1HA       GLY  69 -12.577   4.119   4.625
  527    H    LEU  70           H        LEU  70 -11.507   1.704   5.083
  528    HA   LEU  70           HA       LEU  70  -8.841   1.857   4.152
  529   1HB   LEU  70          2HB       LEU  70 -10.409  -0.248   5.610
  530   2HB   LEU  70          1HB       LEU  70  -8.759  -0.548   5.098
  531    HG   LEU  70           HG       LEU  70  -9.595   1.715   6.917
  532   1HD1  LEU  70          1HD1      LEU  70  -8.590   0.397   8.707
  533   2HD1  LEU  70          2HD1      LEU  70  -8.286  -0.924   7.578
  534   3HD1  LEU  70          3HD1      LEU  70  -9.943  -0.466   7.974
  535   1HD2  LEU  70          1HD2      LEU  70  -7.183   1.898   7.328
  536   2HD2  LEU  70          2HD2      LEU  70  -7.582   2.181   5.633
  537   3HD2  LEU  70          3HD2      LEU  70  -6.888   0.637   6.131
  538    H    ALA  71           H        ALA  71 -11.658   0.063   3.116
  539    HA   ALA  71           HA       ALA  71 -10.402  -1.726   1.350
  540   1HB   ALA  71          1HB       ALA  71 -12.599  -1.999   0.336
  541   2HB   ALA  71          2HB       ALA  71 -13.178  -0.561   1.178
  542   3HB   ALA  71          3HB       ALA  71 -12.714  -1.995   2.096
  543    H    ALA  72           H        ALA  72 -11.600   1.575   0.911
  544    HA   ALA  72           HA       ALA  72 -11.174   1.751  -1.866
  545   1HB   ALA  72          1HB       ALA  72 -12.492   3.388  -0.612
  546   2HB   ALA  72          2HB       ALA  72 -11.212   4.165  -1.542
  547   3HB   ALA  72          3HB       ALA  72 -11.028   3.946   0.197
  548    H    MET  73           H        MET  73  -9.036   2.191   0.885
  549    HA   MET  73           HA       MET  73  -6.824   3.170  -0.624
  550   1HB   MET  73          2HB       MET  73  -6.974   1.879   2.102
  551   2HB   MET  73          1HB       MET  73  -5.499   2.544   1.418
  552   1HG   MET  73          2HG       MET  73  -8.009   4.120   1.940
  553   2HG   MET  73          1HG       MET  73  -6.627   4.043   3.027
  554   1HE   MET  73          1HE       MET  73  -8.225   5.750  -0.027
  555   2HE   MET  73          2HE       MET  73  -7.219   4.578  -0.879
  556   3HE   MET  73          3HE       MET  73  -6.845   6.299  -0.979
  557    H    VAL  74           H        VAL  74  -7.716  -0.020   0.646
  558    HA   VAL  74           HA       VAL  74  -5.460  -1.393  -0.347
  559    HB   VAL  74           HB       VAL  74  -8.221  -2.512   0.176
  560   1HG1  VAL  74          1HG1      VAL  74  -7.040  -4.654   0.473
  561   2HG1  VAL  74          2HG1      VAL  74  -5.538  -3.878  -0.033
  562   3HG1  VAL  74          3HG1      VAL  74  -6.882  -4.024  -1.166
  563   1HG2  VAL  74          1HG2      VAL  74  -7.321  -1.384   2.138
  564   2HG2  VAL  74          2HG2      VAL  74  -5.822  -2.303   1.995
  565   3HG2  VAL  74          3HG2      VAL  74  -7.331  -3.131   2.377
  566    H    ASP  75           H        ASP  75  -8.615  -0.699  -1.749
  567    HA   ASP  75           HA       ASP  75  -8.523  -2.234  -4.060
  568   1HB   ASP  75          2HB       ASP  75 -10.536  -1.083  -3.503
  569   2HB   ASP  75          1HB       ASP  75  -9.730   0.479  -3.524
  570    H    LYS  76           H        LYS  76  -7.262   1.027  -3.516
  571    HA   LYS  76           HA       LYS  76  -6.245   1.387  -6.126
  572   1HB   LYS  76          2HB       LYS  76  -5.401   2.678  -3.522
  573   2HB   LYS  76          1HB       LYS  76  -4.936   3.237  -5.124
  574   1HG   LYS  76          2HG       LYS  76  -7.327   3.587  -5.652
  575   2HG   LYS  76          1HG       LYS  76  -7.725   3.127  -3.999
  576   1HD   LYS  76          2HD       LYS  76  -6.417   5.018  -3.156
  577   2HD   LYS  76          1HD       LYS  76  -6.010   5.475  -4.814
  578   1HE   LYS  76          2HE       LYS  76  -8.434   5.713  -5.286
  579   2HE   LYS  76          1HE       LYS  76  -8.765   5.394  -3.585
  580   1HZ   LYS  76          1HZ       LYS  76  -7.638   7.400  -2.969
  581   2HZ   LYS  76          2HZ       LYS  76  -8.743   7.781  -4.194
  582   3HZ   LYS  76          3HZ       LYS  76  -7.096   7.655  -4.558
  583    H    ILE  77           H        ILE  77  -4.891  -0.028  -3.204
  584    HA   ILE  77           HA       ILE  77  -2.248  -0.403  -4.138
  585    HB   ILE  77           HB       ILE  77  -3.810  -2.094  -2.170
  586   1HG1  ILE  77          2HG1      ILE  77  -1.897   0.203  -1.684
  587   2HG1  ILE  77          1HG1      ILE  77  -3.651   0.300  -1.548
  588   1HG2  ILE  77          1HG2      ILE  77  -1.606  -2.787  -1.342
  589   2HG2  ILE  77          2HG2      ILE  77  -0.835  -1.867  -2.635
  590   3HG2  ILE  77          3HG2      ILE  77  -1.847  -3.257  -3.025
  591   1HD1  ILE  77          1HD1      ILE  77  -3.579  -1.357   0.262
  592   2HD1  ILE  77          2HD1      ILE  77  -2.639   0.088   0.631
  593   3HD1  ILE  77          3HD1      ILE  77  -1.820  -1.393   0.138
  594    H    VAL  78           H        VAL  78  -5.121  -2.490  -4.180
  595    HA   VAL  78           HA       VAL  78  -3.987  -4.726  -5.416
  596    HB   VAL  78           HB       VAL  78  -6.853  -3.761  -5.606
  597   1HG1  VAL  78          1HG1      VAL  78  -6.344  -5.375  -7.358
  598   2HG1  VAL  78          2HG1      VAL  78  -7.390  -6.094  -6.133
  599   3HG1  VAL  78          3HG1      VAL  78  -5.670  -6.479  -6.160
  600   1HG2  VAL  78          1HG2      VAL  78  -7.275  -5.348  -3.802
  601   2HG2  VAL  78          2HG2      VAL  78  -6.105  -4.121  -3.312
  602   3HG2  VAL  78          3HG2      VAL  78  -5.556  -5.741  -3.743
  603    H    ALA  79           H        ALA  79  -5.654  -1.928  -6.852
  604    HA   ALA  79           HA       ALA  79  -5.521  -2.704  -9.530
  605   1HB   ALA  79          1HB       ALA  79  -6.838  -0.795  -8.734
  606   2HB   ALA  79          2HB       ALA  79  -5.772  -0.327 -10.059
  607   3HB   ALA  79          3HB       ALA  79  -5.353   0.092  -8.398
  608    H    HIS  80           H        HIS  80  -3.166  -1.016  -7.516
  609    HA   HIS  80           HA       HIS  80  -1.295  -0.534  -9.600
  610   1HB   HIS  80          2HB       HIS  80  -1.395   0.698  -7.402
  611   2HB   HIS  80          1HB       HIS  80  -0.713  -0.731  -6.638
  612    HD1  HIS  80           1HD      HIS  80   1.530   0.156  -5.973
  613    HD2  HIS  80           2HD      HIS  80   0.666   0.877  -9.975
  614    HE1  HIS  80           1HE      HIS  80   3.644   1.080  -6.964
  615    HE2  HIS  80           2HE      HIS  80   2.992   1.785  -9.298
  616    H    ASN  81           H        ASN  81  -1.730  -3.126  -7.244
  617    HA   ASN  81           HA       ASN  81   0.675  -4.518  -7.866
  618   1HB   ASN  81          2HB       ASN  81  -0.635  -4.829  -5.757
  619   2HB   ASN  81          1HB       ASN  81  -1.873  -5.657  -6.697
  620   1HD2  ASN  81          1HD2      ASN  81  -1.679  -7.625  -5.753
  621   2HD2  ASN  81          2HD2      ASN  81  -0.264  -8.613  -5.886
  622    H    LEU  82           H        LEU  82  -2.699  -4.922  -8.932
  623    HA   LEU  82           HA       LEU  82  -2.354  -7.164 -10.527
  624   1HB   LEU  82          2HB       LEU  82  -4.220  -4.811 -10.774
  625   2HB   LEU  82          1HB       LEU  82  -4.326  -6.223 -11.791
  626    HG   LEU  82           HG       LEU  82  -4.676  -6.183  -8.799
  627   1HD1  LEU  82          1HD1      LEU  82  -7.007  -6.735  -9.305
  628   2HD1  LEU  82          2HD1      LEU  82  -6.664  -6.590 -11.029
  629   3HD1  LEU  82          3HD1      LEU  82  -6.545  -5.174  -9.984
  630   1HD2  LEU  82          1HD2      LEU  82  -4.921  -8.458 -10.764
  631   2HD2  LEU  82          2HD2      LEU  82  -5.334  -8.529  -9.051
  632   3HD2  LEU  82          3HD2      LEU  82  -3.661  -8.267  -9.545
  633    H    SER  83           H        SER  83  -1.574  -3.819 -11.113
  634    HA   SER  83           HA       SER  83  -1.200  -3.992 -13.899
  635   1HB   SER  83          2HB       SER  83   0.085  -2.119 -11.896
  636   2HB   SER  83          1HB       SER  83   0.093  -1.902 -13.646
  637    HG   SER  83           HG       SER  83  -2.189  -1.953 -11.945
  638    H    LYS  84           H        LYS  84   1.165  -4.285 -11.210
  639    HA   LYS  84           HA       LYS  84   3.324  -4.806 -12.993
  640   1HB   LYS  84          2HB       LYS  84   4.549  -5.603 -10.960
  641   2HB   LYS  84          1HB       LYS  84   3.909  -3.971 -10.836
  642   1HG   LYS  84          2HG       LYS  84   2.217  -4.632  -9.354
  643   2HG   LYS  84          1HG       LYS  84   2.440  -6.341  -9.733
  644   1HD   LYS  84          2HD       LYS  84   4.587  -4.670  -8.449
  645   2HD   LYS  84          1HD       LYS  84   3.367  -5.533  -7.511
  646   1HE   LYS  84          2HE       LYS  84   4.078  -7.640  -8.547
  647   2HE   LYS  84          1HE       LYS  84   5.308  -6.770  -9.460
  648   1HZ   LYS  84          1HZ       LYS  84   5.211  -6.705  -6.507
  649   2HZ   LYS  84          2HZ       LYS  84   6.500  -6.294  -7.521
  650   3HZ   LYS  84          3HZ       LYS  84   6.044  -7.915  -7.345
  651    H    VAL  85           H        VAL  85   0.837  -6.766 -11.624
  652    HA   VAL  85           HA       VAL  85   2.145  -9.275 -12.129
  653    HB   VAL  85           HB       VAL  85  -0.786  -8.671 -11.672
  654   1HG1  VAL  85          1HG1      VAL  85  -1.009 -11.072 -11.191
  655   2HG1  VAL  85          2HG1      VAL  85   0.670 -11.317 -11.671
  656   3HG1  VAL  85          3HG1      VAL  85  -0.516 -10.779 -12.859
  657   1HG2  VAL  85          1HG2      VAL  85   0.637  -8.096  -9.768
  658   2HG2  VAL  85          2HG2      VAL  85   1.326  -9.720  -9.789
  659   3HG2  VAL  85          3HG2      VAL  85  -0.381  -9.490  -9.409
  660    H    ARG  86           H        ARG  86  -0.233  -7.270 -13.824
  661    HA   ARG  86           HA       ARG  86  -0.636  -9.116 -15.963
  662   1HB   ARG  86          2HB       ARG  86  -1.973  -7.431 -16.968
  663   2HB   ARG  86          1HB       ARG  86  -2.226  -7.304 -15.239
  664   1HG   ARG  86          2HG       ARG  86  -0.707  -5.404 -15.143
  665   2HG   ARG  86          1HG       ARG  86  -0.442  -5.532 -16.882
  666   1HD   ARG  86          2HD       ARG  86  -2.801  -5.088 -17.289
  667   2HD   ARG  86          1HD       ARG  86  -3.097  -5.005 -15.552
  668    HE   ARG  86           HE       ARG  86  -1.078  -3.169 -16.262
  669   1HH1  ARG  86          1HH1      ARG  86  -4.535  -3.614 -16.673
  670   2HH1  ARG  86          2HH1      ARG  86  -4.869  -1.911 -16.725
  671   1HH2  ARG  86          1HH2      ARG  86  -1.524  -0.942 -16.302
  672   2HH2  ARG  86          2HH2      ARG  86  -3.163  -0.386 -16.468
  673    H    LEU  87           H        LEU  87   1.817  -6.908 -15.218
  674    HA   LEU  87           HA       LEU  87   2.765  -6.254 -17.782
  675   1HB   LEU  87          2HB       LEU  87   4.173  -6.508 -15.133
  676   2HB   LEU  87          1HB       LEU  87   4.980  -5.975 -16.589
  677    HG   LEU  87           HG       LEU  87   2.690  -4.584 -15.213
  678   1HD1  LEU  87          1HD1      LEU  87   4.344  -2.822 -14.811
  679   2HD1  LEU  87          2HD1      LEU  87   5.591  -3.836 -15.538
  680   3HD1  LEU  87          3HD1      LEU  87   4.803  -4.343 -14.044
  681   1HD2  LEU  87          1HD2      LEU  87   4.203  -3.824 -17.707
  682   2HD2  LEU  87          2HD2      LEU  87   3.015  -2.817 -16.878
  683   3HD2  LEU  87          3HD2      LEU  87   2.517  -4.335 -17.626
  684    H    GLU  88           H        GLU  88   3.322  -9.056 -15.714
  685    HA   GLU  88           HA       GLU  88   4.342 -11.038 -16.021
  686   1HB   GLU  88          2HB       GLU  88   3.719 -10.305 -18.840
  687   2HB   GLU  88          1HB       GLU  88   4.576 -11.797 -18.450
  688   1HG   GLU  88          2HG       GLU  88   2.015 -11.062 -17.096
  689   2HG   GLU  88          1HG       GLU  88   2.048 -11.878 -18.639
  690    H    HIS  89           H        HIS  89   6.368 -11.822 -15.938
  691    HA   HIS  89           HA       HIS  89   8.642 -11.801 -15.857
  692   1HB   HIS  89          2HB       HIS  89   8.261 -10.397 -18.511
  693   2HB   HIS  89          1HB       HIS  89   9.842 -10.843 -17.882
  694    HD1  HIS  89           1HD      HIS  89  10.628 -12.837 -19.119
  695    HD2  HIS  89           2HD      HIS  89   6.554 -13.038 -18.291
  696    HE1  HIS  89           1HE      HIS  89   9.865 -15.061 -19.998
  697    HE2  HIS  89           2HE      HIS  89   7.363 -15.058 -19.696
  698    H    HIS  90           H        HIS  90  10.281  -9.571 -17.034
  699    HA   HIS  90           HA       HIS  90  11.117  -7.526 -16.531
  700   1HB   HIS  90          2HB       HIS  90   8.657  -6.885 -16.910
  701   2HB   HIS  90          1HB       HIS  90   8.521  -6.834 -15.157
  702    HD1  HIS  90           1HD      HIS  90  10.504  -5.183 -17.949
  703    HD2  HIS  90           2HD      HIS  90   9.256  -4.451 -14.048
  704    HE1  HIS  90           1HE      HIS  90  11.119  -2.793 -17.476
  705    HE2  HIS  90           2HE      HIS  90  10.108  -2.311 -15.225
  706    H    HIS  91           H        HIS  91  10.866  -9.876 -14.567
  707    HA   HIS  91           HA       HIS  91  11.840 -10.453 -12.607
  708   1HB   HIS  91          2HB       HIS  91  13.650  -8.979 -13.654
  709   2HB   HIS  91          1HB       HIS  91  13.105  -7.712 -12.563
  710    HD1  HIS  91           1HD      HIS  91  14.728  -7.539 -10.694
  711    HD2  HIS  91           2HD      HIS  91  14.062 -11.493 -11.812
  712    HE1  HIS  91           1HE      HIS  91  16.122  -8.930  -9.138
  713    HE2  HIS  91           2HE      HIS  91  15.623 -11.321  -9.751
  714    H    HIS  92           H        HIS  92   9.268  -8.806 -12.646
  715    HA   HIS  92           HA       HIS  92   7.709  -8.179 -11.107
  716   1HB   HIS  92          2HB       HIS  92   9.696  -9.554  -9.321
  717   2HB   HIS  92          1HB       HIS  92   8.296  -8.739  -8.635
  718    HD1  HIS  92           1HD      HIS  92   6.558 -10.384  -8.095
  719    HD2  HIS  92           2HD      HIS  92   8.593 -11.374 -11.594
  720    HE1  HIS  92           1HE      HIS  92   5.481 -12.501  -8.941
  721    HE2  HIS  92           2HE      HIS  92   6.788 -13.130 -11.003
  722    H    HIS  93           H        HIS  93  10.163  -6.425 -11.743
  723    HA   HIS  93           HA       HIS  93  11.040  -4.418 -11.175
  724   1HB   HIS  93          2HB       HIS  93   8.724  -3.640 -11.141
  725   2HB   HIS  93          1HB       HIS  93   8.540  -4.181  -9.478
  726    HD1  HIS  93           1HD      HIS  93  10.931  -1.812 -11.311
  727    HD2  HIS  93           2HD      HIS  93   8.770  -2.124  -7.767
  728    HE1  HIS  93           1HE      HIS  93  11.376   0.321 -10.052
  729    HE2  HIS  93           2HE      HIS  93  10.191   0.043  -7.843
  730    H    HIS  94           H        HIS  94  12.452  -6.166 -10.133
  731    HA   HIS  94           HA       HIS  94  12.834  -5.438  -7.305
  732   1HB   HIS  94          2HB       HIS  94  13.222  -8.086  -8.682
  733   2HB   HIS  94          1HB       HIS  94  14.123  -7.692  -7.224
  734    HD1  HIS  94           1HD      HIS  94  12.873  -9.692  -6.074
  735    HD2  HIS  94           2HD      HIS  94  10.437  -6.533  -7.241
  736    HE1  HIS  94           1HE      HIS  94  10.696 -10.031  -4.861
  737    HE2  HIS  94           2HE      HIS  94   9.177  -8.202  -5.715