*HEADER    STRUCTURAL GENOMICS, UNKNOWN FUNCTION   29-MAY-09   2KJK              
*TITLE     SOLUTION STRUCTURE OF THE SECOND DOMAIN OF THE LISTERIA               
*TITLE    2 PROTEIN LIN2157, NORTHEAST STRUCTURAL GENOMICS CONSORTIUM            
*TITLE    3 TARGET LKR136B                                                       
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: LIN2157 PROTEIN;                                           
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: LISTERIA INNOCUA;                               
*SOURCE   3 ORGANISM_TAXID: 1642;                                                
*SOURCE   4 GENE: LIN2157;                                                       
*SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   6 EXPRESSION_SYSTEM_TAXID: 562;                                        
*SOURCE   7 EXPRESSION_SYSTEM_STRAIN: BL21;                                      
*SOURCE   8 EXPRESSION_SYSTEM_VECTOR: PET121                                     
*KEYWDS    PDZ DOMAIN, STRUCTURAL GENOMICS, PSI-2, PROTEIN STRUCTURE             
*KEYWDS   2 INITIATIVE, NORTHEAST STRUCTURAL GENOMICS CONSORTIUM, NESG,          
*KEYWDS   3 UNKNOWN FUNCTION                                                     
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    10                                                                    
*AUTHOR    X.WANG, K.HAMILTON, R.H.XIAO, D.LEE, C.H.CICCOSANTI, R.NAIR,          
*AUTHOR   2 B.ROST, T.B.ACTON, G.SWAPNA, J.K.EVERETT, G.T.MONTELIONE,            
*AUTHOR   3 J.H.PRESTEGARD, NORTHEAST STRUCTURAL GENOMICS CONSORTIUM             
*AUTHOR   4 (NESG)                                                               
*REVDAT   1   07-JUL-09 2KJK    0                                                


assign ( resid   12 and name    HN )        ( resid   89 and name    HA )         4.09  2.29  0.00 
assign ( resid   12 and name    HN )        ( resid   12 and name   HB1 )         4.12  2.32  0.00 
assign ( resid   12 and name    HN )        ( resid   12 and name   HB2 )         4.12  2.32  0.00 
assign ( resid   34 and name    HN )        ( resid   58 and name   HB2 )         5.33  3.53  0.00 
assign ( resid   33 and name  HG2# )        ( resid   34 and name    HN )         4.25  2.45  0.00 
assign ( resid   14 and name    HN )        ( resid   15 and name    HN )         4.90  3.10  0.00 
assign ( resid   15 and name    HN )        ( resid   88 and name    HN )         5.73  3.93  0.00 
assign ( resid    9 and name    HN )        ( resid   30 and name    HN )         4.25  2.45  0.00 
assign ( resid   32 and name    HN )        ( resid   60 and name    HN )         4.12  2.32  0.00 
assign ( resid   59 and name    HN )        ( resid   71 and name    HA )         4.18  2.38  0.00 
assign ( resid   58 and name    HA )        ( resid   59 and name    HN )         3.12  1.32  0.00 
assign ( resid   59 and name    HA )        ( resid   60 and name    HN )         3.19  1.39  0.00 
assign ( resid   15 and name    HN )        ( resid   87 and name    HA )         4.55  2.75  0.00 
assign ( resid   29 and name    HA )        ( resid   30 and name    HN )         3.49  1.69  0.00 
assign ( resid   88 and name    HA )        ( resid   89 and name    HN )         3.28  1.48  0.00 
assign ( resid   88 and name    HB )        ( resid   89 and name    HN )         4.42  2.62  0.00 
assign ( resid   59 and name    HN )        ( resid   59 and name    HB )         3.66  1.86  0.00 
assign ( resid   30 and name    HN )        ( resid   30 and name    HB )         3.69  1.89  0.00 
assign ( resid   89 and name    HN )        ( resid   89 and name   HB1 )         3.86  2.06  0.00 
assign ( resid   14 and name    HB )        ( resid   15 and name    HN )         4.46  2.66  0.00 
assign ( resid   59 and name    HN )        ( resid   70 and name   HB# )         4.97  3.17  0.00 
assign ( resid   29 and name   HB1 )        ( resid   30 and name    HN )         4.69  2.89  0.00 
assign ( resid   30 and name    HN )        ( resid   31 and name  HG2# )         4.93  3.13  0.00 
assign ( resid   89 and name    HN )        ( resid   89 and name   HB2 )         3.86  2.06  0.00 
assign ( resid   30 and name  HG2# )        ( resid   60 and name    HN )         4.51  2.71  0.00 
assign ( resid   87 and name  HD1# )        ( resid   89 and name    HN )         4.98  3.18  0.00 
assign ( resid   89 and name    HN )        ( resid   89 and name    HG )         5.24  3.44  0.00 
assign ( resid   14 and name  HG1# )        ( resid   15 and name    HN )         4.55  2.75  0.00 
assign ( resid   34 and name    HN )        ( resid   58 and name    HN )         4.31  2.51  0.00 
assign ( resid   59 and name    HN )        ( resid   70 and name    HN )         3.96  2.16  0.00 
assign ( resid   67 and name    HN )        ( resid   68 and name    HN )         4.21  2.41  0.00 
assign ( resid   73 and name    HN )        ( resid   74 and name    HN )         5.16  3.36  0.00 
assign ( resid   74 and name    HN )        ( resid   75 and name    HN )         5.55  3.75  0.00 
assign ( resid   51 and name    HN )        ( resid   52 and name    HN )         4.35  2.55  0.00 
assign ( resid   69 and name    HA )        ( resid   70 and name    HN )         3.12  1.32  0.00 
assign ( resid   60 and name    HA )        ( resid   70 and name    HN )         4.65  2.85  0.00 
assign ( resid   58 and name    HA )        ( resid   72 and name    HN )         5.31  3.51  0.00 
assign ( resid   67 and name    HA )        ( resid   68 and name    HN )         3.24  1.44  0.00 
assign ( resid   73 and name    HA )        ( resid   74 and name    HN )         3.21  1.41  0.00 
assign ( resid   34 and name    HA )        ( resid   58 and name    HN )         4.70  2.90  0.00 
assign ( resid   25 and name    HA )        ( resid   26 and name    HN )         3.19  1.39  0.00 
assign ( resid   90 and name    HA )        ( resid   91 and name    HN )         3.09  1.29  0.00 
assign ( resid   66 and name    HA )        ( resid   67 and name    HN )         2.91  1.11  0.00 
assign ( resid    3 and name    HA )        ( resid    4 and name    HN )         3.15  1.35  0.00 
assign ( resid   75 and name    HA )        ( resid   76 and name    HN )         3.36  1.56  0.00 
assign ( resid   75 and name    HB )        ( resid   76 and name    HN )         3.41  1.61  0.00 
assign ( resid    5 and name    HB )        ( resid    6 and name    HN )         3.28  1.48  0.00 
assign ( resid   71 and name   HB1 )        ( resid   72 and name    HN )         4.46  2.66  0.00 
assign ( resid   25 and name   HB1 )        ( resid   26 and name    HN )         4.34  2.54  0.00 
assign ( resid   63 and name    HN )        ( resid   63 and name   HB1 )         4.10  2.30  0.00 
assign ( resid    6 and name    HN )        ( resid    6 and name   HB2 )         3.87  2.07  0.00 
assign ( resid   63 and name    HN )        ( resid   63 and name   HB2 )         4.10  2.30  0.00 
assign ( resid    6 and name    HN )        ( resid    6 and name   HB1 )         3.87  2.07  0.00 
assign ( resid   72 and name    HN )        ( resid   72 and name    HB )         3.66  1.86  0.00 
assign ( resid   57 and name    HB )        ( resid   58 and name    HN )         4.28  2.48  0.00 
assign ( resid   51 and name    HN )        ( resid   51 and name   HB2 )         4.00  2.20  0.00 
assign ( resid   51 and name    HN )        ( resid   51 and name   HB1 )         4.00  2.20  0.00 
assign ( resid   59 and name  HG2# )        ( resid   70 and name    HN )         4.37  2.57  0.00 
assign ( resid   74 and name    HN )        ( resid   75 and name  HG2# )         4.90  3.10  0.00 
assign ( resid    5 and name  HG2# )        ( resid    6 and name    HN )         4.33  2.53  0.00 
assign ( resid   51 and name    HN )        ( resid   51 and name   HG1 )         4.57  2.77  0.00 
assign ( resid   41 and name    HN )        ( resid   42 and name    HN )         3.90  2.10  0.00 
assign ( resid   27 and name    HN )        ( resid   28 and name    HN )         3.68  1.88  0.00 
assign ( resid   29 and name    HN )        ( resid   62 and name    HN )         4.13  2.33  0.00 
assign ( resid   21 and name    HN )        ( resid   22 and name    HN )         4.23  2.43  0.00 
assign ( resid   20 and name    HN )        ( resid   21 and name    HN )         3.71  1.91  0.00 
assign ( resid   48 and name    HN )        ( resid   49 and name    HN )         3.64  1.84  0.00 
assign ( resid   65 and name    HN )        ( resid   66 and name    HN )         3.20  1.40  0.00 
assign ( resid   78 and name    HN )        ( resid   82 and name    HN )         4.38  2.58  0.00 
assign ( resid    7 and name    HN )        ( resid    8 and name    HN )         3.96  2.16  0.00 
assign ( resid   42 and name    HN )        ( resid   43 and name    HN )         3.78  1.98  0.00 
assign ( resid   44 and name   HD# )        ( resid   48 and name    HN )         4.72  2.92  0.00 
assign ( resid   28 and name    HA )        ( resid   29 and name    HN )         3.27  1.47  0.00 
assign ( resid    9 and name    HA )        ( resid   10 and name    HN )         3.37  1.57  0.00 
assign ( resid   52 and name    HA )        ( resid   53 and name    HN )         3.21  1.41  0.00 
assign ( resid   92 and name    HA )        ( resid   93 and name    HN )         3.53  1.73  0.00 
assign ( resid   13 and name    HA )        ( resid   14 and name    HN )         3.53  1.73  0.00 
assign ( resid   26 and name    HA )        ( resid   28 and name    HN )         4.08  2.28  0.00 
assign ( resid   45 and name    HA )        ( resid   48 and name    HN )         4.34  2.54  0.00 
assign ( resid   61 and name   HB2 )        ( resid   62 and name    HN )         3.98  2.18  0.00 
assign ( resid   55 and name    HN )        ( resid   55 and name   HB1 )         3.67  1.87  0.00 
assign ( resid   55 and name    HN )        ( resid   55 and name   HB2 )         3.67  1.87  0.00 
assign ( resid   47 and name   HB2 )        ( resid   48 and name    HN )         3.65  1.85  0.00 
assign ( resid   29 and name    HN )        ( resid   61 and name   HB2 )         5.24  3.44  0.00 
assign ( resid   29 and name   HB2 )        ( resid   62 and name    HN )         4.07  2.27  0.00 
assign ( resid   11 and name    HN )        ( resid   11 and name    HB )         3.65  1.85  0.00 
assign ( resid   53 and name    HN )        ( resid   83 and name   HG2 )         3.87  2.07  0.00 
assign ( resid   14 and name    HN )        ( resid   14 and name    HB )         3.74  1.94  0.00 
assign ( resid   11 and name    HB )        ( resid   28 and name    HN )         3.62  1.82  0.00 
assign ( resid   48 and name    HN )        ( resid   48 and name  HG1# )         3.70  1.90  0.00 
assign ( resid   29 and name   HB1 )        ( resid   62 and name    HN )         5.25  3.45  0.00 
assign ( resid   31 and name  HG2# )        ( resid   62 and name    HN )         4.49  2.69  0.00 
assign ( resid   76 and name   HB# )        ( resid   82 and name    HN )         4.32  2.52  0.00 
assign ( resid   11 and name    HN )        ( resid   11 and name  HG2# )         4.02  2.22  0.00 
assign ( resid   26 and name   HB# )        ( resid   28 and name    HN )         4.94  3.14  0.00 
assign ( resid   55 and name    HN )        ( resid   74 and name    HG )         4.98  3.18  0.00 
assign ( resid   11 and name  HG2# )        ( resid   28 and name    HN )         4.48  2.68  0.00 
assign ( resid   20 and name   HB# )        ( resid   21 and name    HN )         4.01  2.21  0.00 
assign ( resid   48 and name    HN )        ( resid   48 and name  HG1# )         3.70  1.90  0.00 
assign ( resid   48 and name    HN )        ( resid   48 and name  HD1# )         4.15  2.35  0.00 
assign ( resid   29 and name    HN )        ( resid   29 and name   HB1 )         3.74  1.94  0.00 
assign ( resid   11 and name  HG1# )        ( resid   28 and name    HN )         4.48  2.68  0.00 
assign ( resid   22 and name    HN )        ( resid   23 and name    HN )         3.78  1.98  0.00 
assign ( resid   45 and name    HN )        ( resid   46 and name    HN )         3.63  1.83  0.00 
assign ( resid   33 and name    HN )        ( resid   36 and name    HN )         3.51  1.71  0.00 
assign ( resid   31 and name    HN )        ( resid   32 and name    HN )         3.06  1.26  0.00 
assign ( resid   46 and name    HN )        ( resid   47 and name    HN )         3.65  1.85  0.00 
assign ( resid   44 and name    HN )        ( resid   45 and name    HN )         3.73  1.93  0.00 
assign ( resid   37 and name    HN )        ( resid   38 and name    HN )         4.25  2.45  0.00 
assign ( resid   23 and name    HN )        ( resid   24 and name    HN )         3.27  1.47  0.00 
assign ( resid   47 and name    HN )        ( resid   48 and name    HN )         3.74  1.94  0.00 
assign ( resid   32 and name    HN )        ( resid   61 and name    HA )         5.05  3.25  0.00 
assign ( resid   63 and name    HA )        ( resid   64 and name    HN )         3.22  1.42  0.00 
assign ( resid   56 and name    HB )        ( resid   57 and name    HN )         3.61  1.81  0.00 
assign ( resid   32 and name    HA )        ( resid   33 and name    HN )         3.23  1.43  0.00 
assign ( resid   60 and name    HA )        ( resid   61 and name    HN )         3.10  1.30  0.00 
assign ( resid   32 and name    HA )        ( resid   36 and name    HN )         5.93  4.13  0.00 
assign ( resid   68 and name    HA )        ( resid   69 and name    HN )         3.23  1.43  0.00 
assign ( resid   92 and name    HA )        ( resid   94 and name    HN )         5.19  3.39  0.00 
assign ( resid    5 and name    HN )        ( resid    5 and name    HB )         4.02  2.22  0.00 
assign ( resid   30 and name    HA )        ( resid   32 and name    HN )         4.29  2.49  0.00 
assign ( resid   21 and name    HA )        ( resid   23 and name    HN )         3.66  1.86  0.00 
assign ( resid   42 and name    HA )        ( resid   46 and name    HN )         4.51  2.71  0.00 
assign ( resid   43 and name    HA )        ( resid   46 and name    HN )         4.67  2.87  0.00 
assign ( resid   42 and name    HA )        ( resid   45 and name    HN )         4.21  2.41  0.00 
assign ( resid   43 and name    HA )        ( resid   47 and name    HN )         5.07  3.27  0.00 
assign ( resid   44 and name    HA )        ( resid   47 and name    HN )         4.59  2.79  0.00 
assign ( resid   42 and name    HA )        ( resid   44 and name    HN )         4.89  3.09  0.00 
assign ( resid   61 and name    HN )        ( resid   61 and name   HB2 )         4.20  2.40  0.00 
assign ( resid   44 and name   HB2 )        ( resid   45 and name    HN )         3.62  1.82  0.00 
assign ( resid   44 and name    HN )        ( resid   44 and name   HB2 )         3.34  1.54  0.00 
assign ( resid   45 and name    HB )        ( resid   46 and name    HN )         3.62  1.82  0.00 
assign ( resid   90 and name    HB )        ( resid   92 and name    HN )         4.53  2.73  0.00 
assign ( resid   36 and name   HB1 )        ( resid   37 and name    HN )         4.43  2.63  0.00 
assign ( resid   45 and name    HN )        ( resid   45 and name    HB )         3.48  1.68  0.00 
assign ( resid   44 and name    HN )        ( resid   45 and name    HB )         4.91  3.11  0.00 
assign ( resid   56 and name  HG2# )        ( resid   57 and name    HN )         3.78  1.98  0.00 
assign ( resid   33 and name    HN )        ( resid   33 and name  HG2# )         4.16  2.36  0.00 
assign ( resid   36 and name   HB2 )        ( resid   37 and name    HN )         4.43  2.63  0.00 
assign ( resid   36 and name    HN )        ( resid   36 and name   HB2 )         4.11  2.31  0.00 
assign ( resid   45 and name    HN )        ( resid   45 and name  HG1# )         4.02  2.22  0.00 
assign ( resid   31 and name  HG2# )        ( resid   32 and name    HN )         4.27  2.47  0.00 
assign ( resid   30 and name  HG2# )        ( resid   32 and name    HN )         3.70  1.90  0.00 
assign ( resid   23 and name    HN )        ( resid   23 and name    HB )         3.45  1.65  0.00 
assign ( resid   23 and name    HN )        ( resid   23 and name  HG1# )         4.48  2.68  0.00 
assign ( resid   44 and name    HN )        ( resid   48 and name  HD1# )         5.85  4.05  0.00 
assign ( resid   45 and name    HN )        ( resid   48 and name  HD1# )         4.62  2.82  0.00 
assign ( resid   16 and name    HN )        ( resid   17 and name    HN )         4.30  2.50  0.00 
assign ( resid   80 and name    HN )        ( resid   82 and name    HN )         4.52  2.72  0.00 
assign ( resid   79 and name    HN )        ( resid   80 and name    HN )         3.73  1.93  0.00 
assign ( resid   77 and name    HN )        ( resid   78 and name    HN )         3.27  1.47  0.00 
assign ( resid   70 and name    HA )        ( resid   71 and name    HN )         3.03  1.23  0.00 
assign ( resid   77 and name    HN )        ( resid   83 and name    HA )         5.49  3.69  0.00 
assign ( resid   76 and name    HA )        ( resid   77 and name    HN )         3.21  1.41  0.00 
assign ( resid   75 and name    HN )        ( resid   83 and name    HA )         4.02  2.22  0.00 
assign ( resid   78 and name    HA )        ( resid   79 and name    HN )         3.55  1.75  0.00 
assign ( resid   54 and name    HN )        ( resid   83 and name    HA )         5.35  3.55  0.00 
assign ( resid   94 and name    HA )        ( resid   95 and name    HN )         3.45  1.65  0.00 
assign ( resid   76 and name    HA )        ( resid   78 and name    HN )         4.12  2.32  0.00 
assign ( resid   11 and name    HA )        ( resid   90 and name    HN )         4.71  2.91  0.00 
assign ( resid   78 and name   HB1 )        ( resid   80 and name    HN )         4.71  2.91  0.00 
assign ( resid   78 and name    HN )        ( resid   82 and name    HB )         4.65  2.85  0.00 
assign ( resid   31 and name    HN )        ( resid   61 and name   HB2 )         4.78  2.98  0.00 
assign ( resid   78 and name   HB2 )        ( resid   79 and name    HN )         4.32  2.52  0.00 
assign ( resid   78 and name   HB2 )        ( resid   80 and name    HN )         4.71  2.91  0.00 
assign ( resid   90 and name    HN )        ( resid   90 and name    HB )         3.91  2.11  0.00 
assign ( resid   89 and name   HB1 )        ( resid   90 and name    HN )         4.34  2.54  0.00 
assign ( resid   54 and name    HN )        ( resid   74 and name   HB1 )         4.66  2.86  0.00 
assign ( resid   77 and name    HB )        ( resid   78 and name    HN )         4.62  2.82  0.00 
assign ( resid   89 and name   HB2 )        ( resid   90 and name    HN )         4.34  2.54  0.00 
assign ( resid   30 and name  HG2# )        ( resid   31 and name    HN )         4.00  2.20  0.00 
assign ( resid   75 and name    HN )        ( resid   85 and name  HG2# )         6.00  4.20  0.00 
assign ( resid   77 and name  HG2# )        ( resid   78 and name    HN )         4.38  2.58  0.00 
assign ( resid   23 and name    HB )        ( resid   24 and name    HN )         3.55  1.75  0.00 
assign ( resid   49 and name    HN )        ( resid   50 and name    HN )         3.72  1.92  0.00 
assign ( resid   13 and name    HN )        ( resid   88 and name    HN )         4.01  2.21  0.00 
assign ( resid   50 and name    HN )        ( resid   51 and name    HN )         3.41  1.61  0.00 
assign ( resid   56 and name    HN )        ( resid   56 and name    HB )         3.94  2.14  0.00 
assign ( resid   55 and name    HA )        ( resid   56 and name    HN )         3.11  1.31  0.00 
assign ( resid   14 and name    HA )        ( resid   88 and name    HN )         4.59  2.79  0.00 
assign ( resid   24 and name    HA )        ( resid   25 and name    HN )         3.33  1.53  0.00 
assign ( resid    8 and name   HA1 )        ( resid    9 and name    HN )         3.54  1.74  0.00 
assign ( resid    8 and name   HA2 )        ( resid    9 and name    HN )         3.54  1.74  0.00 
assign ( resid   25 and name    HN )        ( resid   25 and name   HB2 )         4.13  2.33  0.00 
assign ( resid   52 and name    HN )        ( resid   55 and name   HB1 )         4.59  2.79  0.00 
assign ( resid   52 and name    HN )        ( resid   55 and name   HB2 )         4.59  2.79  0.00 
assign ( resid   87 and name    HB )        ( resid   88 and name    HN )         3.60  1.80  0.00 
assign ( resid    9 and name    HN )        ( resid    9 and name    HB )         4.05  2.25  0.00 
assign ( resid    9 and name    HN )        ( resid   30 and name    HB )         4.65  2.85  0.00 
assign ( resid   24 and name   HB2 )        ( resid   25 and name    HN )         4.43  2.63  0.00 
assign ( resid   24 and name   HB1 )        ( resid   25 and name    HN )         4.43  2.63  0.00 
assign ( resid   87 and name  HD1# )        ( resid   88 and name    HN )         3.97  2.17  0.00 
assign ( resid   46 and name    HA )        ( resid   49 and name    HN )         4.19  2.39  0.00 
assign ( resid   18 and name    HB )        ( resid   20 and name    HN )         4.80  3.00  0.00 
assign ( resid   11 and name    HB )        ( resid   27 and name    HN )         4.25  2.45  0.00 
assign ( resid   48 and name    HB )        ( resid   49 and name    HN )         3.69  1.89  0.00 
assign ( resid   11 and name  HG2# )        ( resid   27 and name    HN )         4.75  2.95  0.00 
assign ( resid   77 and name  HG2# )        ( resid   85 and name    HN )         4.43  2.63  0.00 
assign ( resid   85 and name    HN )        ( resid   85 and name  HG2# )         4.71  2.91  0.00 
assign ( resid   20 and name   HB# )        ( resid   86 and name    HN )         4.72  2.92  0.00 
assign ( resid   85 and name  HG2# )        ( resid   86 and name    HN )         4.08  2.28  0.00 
assign ( resid   48 and name  HD1# )        ( resid   49 and name    HN )         5.24  3.44  0.00 
assign ( resid   20 and name    HN )        ( resid   87 and name  HG2# )         5.62  3.82  0.00 
assign ( resid   11 and name  HG1# )        ( resid   27 and name    HN )         4.75  2.95  0.00 
assign ( resid   86 and name    HN )        ( resid   87 and name    HN )         3.58  1.78  0.00 
assign ( resid   39 and name    HN )        ( resid   40 and name    HN )         3.54  1.74  0.00 
assign ( resid   85 and name    HB )        ( resid   87 and name    HN )         4.84  3.04  0.00 
assign ( resid   12 and name    HN )        ( resid   13 and name    HN )         3.46  1.66  0.00 
assign ( resid   81 and name    HN )        ( resid   82 and name    HN )         3.33  1.53  0.00 
assign ( resid   17 and name    HN )        ( resid   18 and name    HN )         3.77  1.97  0.00 
assign ( resid   18 and name    HN )        ( resid   21 and name    HN )         4.35  2.55  0.00 
assign ( resid   12 and name   HB1 )        ( resid   13 and name    HN )         4.08  2.28  0.00 
assign ( resid   76 and name   HB# )        ( resid   81 and name    HN )         4.00  2.20  0.00 
assign ( resid   12 and name   HB2 )        ( resid   13 and name    HN )         4.08  2.28  0.00 
assign ( resid   13 and name    HN )        ( resid   88 and name  HG2# )         4.49  2.69  0.00 
assign ( resid   34 and name    HN )        ( resid   35 and name    HN )         4.10  2.30  0.00 
assign ( resid   35 and name    HN )        ( resid   36 and name    HN )         3.95  2.15  0.00 
assign ( resid   83 and name    HA )        ( resid   84 and name    HN )         3.24  1.44  0.00 
assign ( resid   76 and name    HA )        ( resid   84 and name    HN )         4.55  2.75  0.00 
assign ( resid   26 and name    HN )        ( resid   27 and name    HN )         4.87  3.07  0.00 
assign ( resid    9 and name    HN )        ( resid   31 and name    HN )         6.00  4.20  0.00 
assign ( resid   11 and name    HN )        ( resid   12 and name    HN )         4.72  2.92  0.00 
assign ( resid   11 and name    HN )        ( resid   28 and name    HN )         4.58  2.78  0.00 
assign ( resid   30 and name    HN )        ( resid   31 and name    HN )         4.72  2.92  0.00 
assign ( resid   33 and name    HN )        ( resid   34 and name    HN )         5.18  3.38  0.00 
assign ( resid   40 and name    HN )        ( resid   41 and name    HN )         5.16  3.36  0.00 
assign ( resid   44 and name    HN )        ( resid   46 and name    HN )         4.96  3.16  0.00 
assign ( resid   55 and name    HN )        ( resid   74 and name    HN )         4.53  2.73  0.00 
assign ( resid   59 and name    HN )        ( resid   60 and name    HN )         5.28  3.48  0.00 
assign ( resid   34 and name    HN )        ( resid   60 and name    HN )         5.49  3.69  0.00 
assign ( resid   70 and name    HN )        ( resid   71 and name    HN )         4.77  2.97  0.00 
assign ( resid   71 and name    HN )        ( resid   72 and name    HN )         5.15  3.35  0.00 
assign ( resid   75 and name    HN )        ( resid   84 and name    HN )         3.87  2.07  0.00 
assign ( resid   54 and name    HN )        ( resid   74 and name    HN )         4.71  2.91  0.00 
assign ( resid   88 and name    HN )        ( resid   89 and name    HN )         4.93  3.13  0.00 
assign ( resid   12 and name    HN )        ( resid   88 and name    HN )         5.06  3.26  0.00 
assign ( resid   12 and name    HN )        ( resid   90 and name    HN )         4.63  2.83  0.00 
assign ( resid   75 and name    HB )        ( resid   76 and name   HB# )         4.74  2.94  0.00 
assign ( resid   12 and name    HN )        ( resid   88 and name    HB )         5.03  3.23  0.00 
assign ( resid   88 and name    HN )        ( resid   88 and name    HB )         3.38  1.58  0.00 
assign ( resid   13 and name    HN )        ( resid   88 and name    HB )         3.97  2.17  0.00 
assign ( resid   88 and name    HB )        ( resid   89 and name    HA )         5.54  3.74  0.00 
assign ( resid   87 and name  HD1# )        ( resid   88 and name    HB )         6.00  4.20  0.00 
assign ( resid   82 and name    HN )        ( resid   82 and name    HB )         3.73  1.93  0.00 
assign ( resid   53 and name    HA )        ( resid   54 and name    HN )         3.25  1.45  0.00 
assign ( resid   53 and name    HA )        ( resid   55 and name    HN )         4.63  2.83  0.00 
assign ( resid   52 and name    HA )        ( resid   53 and name    HA )         4.49  2.69  0.00 
assign ( resid   53 and name    HA )        ( resid   83 and name   HG2 )         4.48  2.68  0.00 
assign ( resid   71 and name   HB2 )        ( resid   72 and name    HN )         4.46  2.66  0.00 
assign ( resid   71 and name    HN )        ( resid   71 and name   HB1 )         3.84  2.04  0.00 
assign ( resid   71 and name    HN )        ( resid   71 and name   HB2 )         3.84  2.04  0.00 
assign ( resid   53 and name    HA )        ( resid   74 and name    HN )         5.13  3.33  0.00 
assign ( resid   53 and name    HA )        ( resid   84 and name    HN )         5.82  4.02  0.00 
assign ( resid   19 and name    HA )        ( resid   21 and name    HN )         4.46  2.66  0.00 
assign ( resid   48 and name    HA )        ( resid   51 and name    HN )         5.49  3.69  0.00 
assign ( resid   44 and name   HD# )        ( resid   45 and name    HA )         4.74  2.94  0.00 
assign ( resid   53 and name    HA )        ( resid   75 and name    HA )         4.50  2.70  0.00 
assign ( resid   45 and name    HA )        ( resid   48 and name    HB )         4.46  2.66  0.00 
assign ( resid   48 and name    HA )        ( resid   48 and name  HG1# )         4.19  2.39  0.00 
assign ( resid   19 and name    HA )        ( resid   75 and name  HG2# )         4.90  3.10  0.00 
assign ( resid   19 and name    HA )        ( resid   23 and name  HD1# )         3.96  2.16  0.00 
assign ( resid   48 and name    HA )        ( resid   48 and name  HG2# )         3.24  1.44  0.00 
assign ( resid   48 and name    HA )        ( resid   48 and name  HD1# )         4.05  2.25  0.00 
assign ( resid   45 and name    HA )        ( resid   45 and name  HG2# )         3.39  1.59  0.00 
assign ( resid   11 and name    HA )        ( resid   12 and name    HN )         3.51  1.71  0.00 
assign ( resid   14 and name    HA )        ( resid   15 and name    HN )         3.27  1.47  0.00 
assign ( resid   11 and name    HA )        ( resid   13 and name    HN )         4.72  2.92  0.00 
assign ( resid   29 and name    HA )        ( resid   30 and name    HA )         4.40  2.60  0.00 
assign ( resid   11 and name    HA )        ( resid   88 and name  HG2# )         6.00  4.20  0.00 
assign ( resid   23 and name    HA )        ( resid   23 and name  HG1# )         3.95  2.15  0.00 
assign ( resid   11 and name    HA )        ( resid   11 and name  HG1# )         3.47  1.67  0.00 
assign ( resid   33 and name    HA )        ( resid   34 and name    HN )         3.38  1.58  0.00 
assign ( resid   30 and name    HA )        ( resid   62 and name    HN )         4.94  3.14  0.00 
assign ( resid   30 and name    HA )        ( resid   31 and name    HN )         3.37  1.57  0.00 
assign ( resid   87 and name    HA )        ( resid   88 and name    HN )         3.34  1.54  0.00 
assign ( resid   72 and name    HA )        ( resid   73 and name    HN )         2.93  1.13  0.00 
assign ( resid   33 and name    HA )        ( resid   34 and name    HA )         4.50  2.70  0.00 
assign ( resid   14 and name    HA )        ( resid   87 and name    HA )         3.59  1.79  0.00 
assign ( resid   30 and name    HA )        ( resid   61 and name   HB2 )         3.74  1.94  0.00 
assign ( resid   33 and name    HA )        ( resid   33 and name  HG2# )         3.56  1.76  0.00 
assign ( resid   77 and name    HA )        ( resid   77 and name  HG2# )         2.95  1.15  0.00 
assign ( resid   57 and name    HA )        ( resid   58 and name    HN )         3.06  1.26  0.00 
assign ( resid   71 and name    HA )        ( resid   72 and name    HN )         3.15  1.35  0.00 
assign ( resid   15 and name    HA )        ( resid   16 and name    HN )         3.27  1.47  0.00 
assign ( resid   58 and name    HA )        ( resid   71 and name    HA )         3.65  1.85  0.00 
assign ( resid   59 and name    HB )        ( resid   71 and name    HA )         4.37  2.57  0.00 
assign ( resid   42 and name    HA )        ( resid   45 and name    HB )         3.54  1.74  0.00 
assign ( resid   70 and name   HB# )        ( resid   71 and name    HA )         4.28  2.48  0.00 
assign ( resid   42 and name    HA )        ( resid   45 and name  HD1# )         4.72  2.92  0.00 
assign ( resid   61 and name    HA )        ( resid   62 and name    HN )         3.51  1.71  0.00 
assign ( resid   59 and name    HN )        ( resid   69 and name    HA )         5.72  3.92  0.00 
assign ( resid   31 and name    HN )        ( resid   61 and name    HA )         3.86  2.06  0.00 
assign ( resid   61 and name    HN )        ( resid   69 and name    HA )         4.07  2.27  0.00 
assign ( resid   21 and name    HA )        ( resid   22 and name    HN )         3.22  1.42  0.00 
assign ( resid   74 and name    HA )        ( resid   75 and name    HN )         3.09  1.29  0.00 
assign ( resid   36 and name    HA )        ( resid   37 and name    HN )         2.90  1.10  0.00 
assign ( resid   20 and name    HN )        ( resid   21 and name    HA )         5.29  3.49  0.00 
assign ( resid   61 and name    HA )        ( resid   61 and name   HD# )         4.61  2.81  0.00 
assign ( resid   60 and name    HA )        ( resid   69 and name    HA )         3.57  1.77  0.00 
assign ( resid   60 and name    HA )        ( resid   61 and name    HA )         4.49  2.69  0.00 
assign ( resid   69 and name    HA )        ( resid   70 and name    HA )         5.01  3.21  0.00 
assign ( resid   25 and name    HA )        ( resid   26 and name    HA )         4.42  2.62  0.00 
assign ( resid   30 and name    HA )        ( resid   61 and name    HA )         3.66  1.86  0.00 
assign ( resid   34 and name    HA )        ( resid   58 and name   HB1 )         4.43  2.63  0.00 
assign ( resid   58 and name    HA )        ( resid   59 and name    HB )         4.46  2.66  0.00 
assign ( resid   29 and name   HB2 )        ( resid   61 and name    HA )         5.35  3.65  0.00 
assign ( resid   34 and name    HA )        ( resid   58 and name   HB2 )         4.43  2.63  0.00 
assign ( resid   60 and name    HA )        ( resid   60 and name   HG2 )         4.04  2.24  0.00 
assign ( resid   60 and name    HA )        ( resid   60 and name   HG1 )         4.04  2.24  0.00 
assign ( resid   69 and name    HA )        ( resid   70 and name   HB# )         4.16  2.36  0.00 
assign ( resid   93 and name    HA )        ( resid   93 and name    HG )         3.59  1.79  0.00 
assign ( resid   30 and name  HG2# )        ( resid   60 and name    HA )         5.32  3.52  0.00 
assign ( resid   48 and name  HG2# )        ( resid   49 and name    HA )         5.38  3.58  0.00 
assign ( resid   26 and name    HA )        ( resid   27 and name    HN )         3.22  1.42  0.00 
assign ( resid   89 and name    HA )        ( resid   90 and name    HN )         3.30  1.50  0.00 
assign ( resid   51 and name    HA )        ( resid   52 and name    HN )         3.41  1.61  0.00 
assign ( resid   20 and name    HA )        ( resid   24 and name    HN )         4.74  2.94  0.00 
assign ( resid   28 and name    HA )        ( resid   29 and name    HA )         4.71  2.91  0.00 
assign ( resid   76 and name    HA )        ( resid   83 and name    HA )         4.14  2.34  0.00 
assign ( resid   11 and name    HA )        ( resid   89 and name    HA )         3.77  1.97  0.00 
assign ( resid   51 and name    HA )        ( resid   51 and name   HE# )         4.85  3.05  0.00 
assign ( resid   11 and name    HB )        ( resid   26 and name    HA )         4.24  2.44  0.00 
assign ( resid   20 and name    HA )        ( resid   23 and name    HB )         3.71  1.91  0.00 
assign ( resid   11 and name  HG2# )        ( resid   26 and name    HA )         4.92  3.12  0.00 
assign ( resid   20 and name    HA )        ( resid   72 and name  HG2# )         4.21  2.41  0.00 
assign ( resid   23 and name  HG2# )        ( resid   24 and name    HA )         4.30  2.50  0.00 
assign ( resid   20 and name    HA )        ( resid   87 and name  HG2# )         5.06  3.26  0.00 
assign ( resid   18 and name    HA )        ( resid   19 and name   HD2 )         3.78  1.98  0.00 
assign ( resid   18 and name    HA )        ( resid   19 and name   HD1 )         3.78  1.98  0.00 
assign ( resid   18 and name    HB )        ( resid   19 and name   HD2 )         3.77  1.97  0.00 
assign ( resid   18 and name    HB )        ( resid   19 and name   HD1 )         3.77  1.97  0.00 
assign ( resid   29 and name    HN )        ( resid   29 and name   HB2 )         3.94  2.14  0.00 
assign ( resid   59 and name    HB )        ( resid   70 and name    HN )         4.89  3.09  0.00 
assign ( resid   59 and name    HB )        ( resid   72 and name    HN )         5.60  3.80  0.00 
assign ( resid   65 and name    HN )        ( resid   66 and name   HE# )         6.00  4.20  0.00 
assign ( resid   59 and name    HB )        ( resid   60 and name    HN )         4.61  2.81  0.00 
assign ( resid   78 and name   HB1 )        ( resid   79 and name    HN )         4.32  2.52  0.00 
assign ( resid   72 and name    HB )        ( resid   73 and name    HN )         4.98  3.18  0.00 
assign ( resid   54 and name    HN )        ( resid   74 and name   HB2 )         4.66  2.86  0.00 
assign ( resid   39 and name   HE# )        ( resid   40 and name    HN )         5.57  3.77  0.00 
assign ( resid   32 and name   HB1 )        ( resid   60 and name   HE# )         5.00  3.20  0.00 
assign ( resid   60 and name   HG1 )        ( resid   60 and name   HE# )         3.97  2.17  0.00 
assign ( resid   59 and name    HB )        ( resid   70 and name   HB# )         4.61  2.81  0.00 
assign ( resid   33 and name    HB )        ( resid   34 and name    HN )         5.02  3.22  0.00 
assign ( resid   77 and name    HN )        ( resid   77 and name    HB )         4.06  2.26  0.00 
assign ( resid    6 and name   HB2 )        ( resid    7 and name    HN )         4.79  2.99  0.00 
assign ( resid    6 and name   HB1 )        ( resid    7 and name    HN )         4.79  2.99  0.00 
assign ( resid   33 and name    HB )        ( resid   47 and name   HE# )         5.79  3.99  0.00 
assign ( resid   20 and name   HB# )        ( resid   85 and name    HB )         4.06  2.26  0.00 
assign ( resid   48 and name    HN )        ( resid   48 and name    HB )         3.66  1.86  0.00 
assign ( resid   47 and name    HN )        ( resid   47 and name   HB2 )         3.52  1.72  0.00 
assign ( resid   29 and name    HA )        ( resid   30 and name    HB )         5.15  3.35  0.00 
assign ( resid   44 and name    HA )        ( resid   47 and name   HB2 )         4.35  2.55  0.00 
assign ( resid    9 and name    HB )        ( resid   30 and name    HB )         5.07  3.27  0.00 
assign ( resid   30 and name    HB )        ( resid   30 and name  HD1# )         3.59  1.79  0.00 
assign ( resid   57 and name    HN )        ( resid   57 and name    HB )         3.77  1.97  0.00 
assign ( resid    9 and name    HB )        ( resid   10 and name    HN )         4.16  2.36  0.00 
assign ( resid   90 and name    HB )        ( resid   91 and name    HN )         4.19  2.39  0.00 
assign ( resid   32 and name   HB2 )        ( resid   60 and name   HE# )         5.00  3.20  0.00 
assign ( resid   52 and name   HB1 )        ( resid   52 and name   HE# )         5.29  3.49  0.00 
assign ( resid   52 and name   HB2 )        ( resid   52 and name   HE# )         5.29  3.49  0.00 
assign ( resid   34 and name    HN )        ( resid   58 and name   HB1 )         5.33  3.53  0.00 
assign ( resid   58 and name   HB1 )        ( resid   59 and name    HN )         4.96  3.16  0.00 
assign ( resid   58 and name   HB2 )        ( resid   59 and name    HN )         4.96  3.16  0.00 
assign ( resid   58 and name    HN )        ( resid   58 and name   HB1 )         3.91  2.11  0.00 
assign ( resid   58 and name    HN )        ( resid   58 and name   HB2 )         3.91  2.11  0.00 
assign ( resid   25 and name   HB2 )        ( resid   26 and name    HN )         4.34  2.54  0.00 
assign ( resid   25 and name    HN )        ( resid   25 and name   HB1 )         4.13  2.33  0.00 
assign ( resid   53 and name    HN )        ( resid   53 and name    HB )         3.56  1.76  0.00 
assign ( resid   11 and name    HB )        ( resid   28 and name    HA )         5.76  3.96  0.00 
assign ( resid   18 and name    HB )        ( resid   20 and name   HB# )         4.81  3.01  0.00 
assign ( resid   36 and name    HN )        ( resid   36 and name   HB1 )         4.11  2.31  0.00 
assign ( resid   36 and name   HB1 )        ( resid   38 and name   HE# )         5.18  3.38  0.00 
assign ( resid   36 and name   HB2 )        ( resid   38 and name   HE# )         5.18  3.38  0.00 
assign ( resid   18 and name    HA )        ( resid   19 and name   HG1 )         4.88  3.08  0.00 
assign ( resid   52 and name    HA )        ( resid   53 and name    HB )         5.67  3.87  0.00 
assign ( resid   48 and name    HA )        ( resid   48 and name  HG1# )         4.19  2.39  0.00 
assign ( resid   72 and name    HN )        ( resid   72 and name  HG1# )         4.68  2.88  0.00 
assign ( resid   72 and name    HN )        ( resid   72 and name  HG1# )         4.68  2.88  0.00 
assign ( resid   85 and name    HN )        ( resid   85 and name  HG1# )         4.19  2.39  0.00 
assign ( resid   85 and name    HN )        ( resid   85 and name  HG1# )         4.19  2.39  0.00 
assign ( resid   74 and name    HN )        ( resid   74 and name    HG )         4.06  2.26  0.00 
assign ( resid   93 and name    HN )        ( resid   93 and name    HG )         3.84  2.04  0.00 
assign ( resid   52 and name    HN )        ( resid   74 and name    HG )         4.80  3.00  0.00 
assign ( resid   45 and name    HN )        ( resid   45 and name  HG1# )         4.02  2.22  0.00 
assign ( resid   23 and name    HN )        ( resid   23 and name  HG1# )         4.48  2.68  0.00 
assign ( resid   23 and name  HG1# )        ( resid   24 and name    HN )         5.34  3.54  0.00 
assign ( resid   23 and name  HG1# )        ( resid   24 and name    HN )         5.34  3.54  0.00 
assign ( resid   24 and name    HN )        ( resid   24 and name    HG )         4.67  2.87  0.00 
assign ( resid   18 and name    HA )        ( resid   19 and name   HG2 )         4.88  3.08  0.00 
assign ( resid   59 and name    HA )        ( resid   59 and name  HG1# )         4.18  2.38  0.00 
assign ( resid   59 and name    HA )        ( resid   59 and name  HG1# )         4.18  2.38  0.00 
assign ( resid   52 and name    HA )        ( resid   83 and name   HG2 )         4.16  2.36  0.00 
assign ( resid   92 and name    HA )        ( resid   93 and name    HG )         4.71  2.91  0.00 
assign ( resid   74 and name    HG )        ( resid   83 and name    HA )         5.03  3.23  0.00 
assign ( resid   23 and name    HA )        ( resid   23 and name  HG1# )         3.95  2.15  0.00 
assign ( resid   55 and name   HB1 )        ( resid   74 and name    HG )         4.62  2.82  0.00 
assign ( resid   55 and name   HB2 )        ( resid   74 and name    HG )         4.62  2.82  0.00 
assign ( resid   24 and name    HG )        ( resid   59 and name    HB )         5.64  3.84  0.00 
assign ( resid   74 and name    HG )        ( resid   83 and name   HG2 )         4.85  3.05  0.00 
assign ( resid   23 and name  HG2# )        ( resid   23 and name  HG1# )         3.22  1.42  0.00 
assign ( resid   85 and name  HG2# )        ( resid   85 and name  HG1# )         3.60  1.80  0.00 
assign ( resid   70 and name    HN )        ( resid   70 and name   HB# )         3.55  1.75  0.00 
assign ( resid   29 and name    HN )        ( resid   29 and name    HG )         4.60  2.80  0.00 
assign ( resid   51 and name    HN )        ( resid   51 and name   HG2 )         4.57  2.77  0.00 
assign ( resid   10 and name   HE# )        ( resid   29 and name    HG )         5.15  3.35  0.00 
assign ( resid   29 and name    HA )        ( resid   29 and name    HG )         4.12  2.32  0.00 
assign ( resid   23 and name    HA )        ( resid   70 and name   HB# )         5.03  3.23  0.00 
assign ( resid   20 and name    HA )        ( resid   24 and name    HG )         5.70  3.90  0.00 
assign ( resid   23 and name    HA )        ( resid   24 and name    HG )         6.00  4.20  0.00 
assign ( resid   60 and name   HG2 )        ( resid   60 and name   HE# )         3.97  2.17  0.00 
assign ( resid   23 and name    HB )        ( resid   24 and name    HG )         4.04  2.24  0.00 
assign ( resid   23 and name  HD1# )        ( resid   70 and name   HB# )         4.30  2.50  0.00 
assign ( resid   23 and name  HG2# )        ( resid   70 and name   HB# )         2.95  1.15  0.00 
assign ( resid   12 and name    HN )        ( resid   88 and name  HG2# )         5.05  3.25  0.00 
assign ( resid   12 and name    HN )        ( resid   12 and name  HD2# )         4.62  2.82  0.00 
assign ( resid   12 and name    HN )        ( resid   12 and name  HD1# )         4.62  2.82  0.00 
assign ( resid   88 and name  HG2# )        ( resid   89 and name    HN )         3.68  1.88  0.00 
assign ( resid   31 and name    HN )        ( resid   31 and name  HG2# )         3.61  1.81  0.00 
assign ( resid   56 and name    HN )        ( resid   56 and name  HG2# )         3.96  2.16  0.00 
assign ( resid   11 and name    HN )        ( resid   11 and name  HG1# )         4.02  2.22  0.00 
assign ( resid   88 and name    HN )        ( resid   88 and name  HG2# )         4.24  2.44  0.00 
assign ( resid    5 and name    HN )        ( resid    5 and name  HG2# )         3.96  2.16  0.00 
assign ( resid   31 and name  HG2# )        ( resid   61 and name    HA )         4.15  2.35  0.00 
assign ( resid   88 and name  HG2# )        ( resid   89 and name    HA )         4.56  2.76  0.00 
assign ( resid   56 and name  HG2# )        ( resid   57 and name    HA )         5.97  4.17  0.00 
assign ( resid   31 and name  HG2# )        ( resid   60 and name    HA )         6.00  4.20  0.00 
assign ( resid   57 and name    HA )        ( resid   57 and name  HG2# )         3.73  1.93  0.00 
assign ( resid   31 and name  HG2# )        ( resid   32 and name    HA )         5.79  3.99  0.00 
assign ( resid   88 and name    HA )        ( resid   88 and name  HG2# )         3.29  1.49  0.00 
assign ( resid   82 and name  HG2# )        ( resid   83 and name    HA )         4.25  2.45  0.00 
assign ( resid   12 and name    HA )        ( resid   88 and name  HG2# )         4.82  3.02  0.00 
assign ( resid   31 and name    HA )        ( resid   31 and name  HG2# )         3.01  1.21  0.00 
assign ( resid    5 and name    HA )        ( resid    5 and name  HG2# )         3.01  1.21  0.00 
assign ( resid   56 and name    HA )        ( resid   56 and name  HG2# )         3.07  1.27  0.00 
assign ( resid   11 and name  HG1# )        ( resid   26 and name    HA )         4.92  3.12  0.00 
assign ( resid   11 and name    HA )        ( resid   11 and name  HG2# )         3.47  1.67  0.00 
assign ( resid   53 and name    HA )        ( resid   53 and name  HG2# )         3.27  1.47  0.00 
assign ( resid   53 and name    HA )        ( resid   53 and name  HG1# )         3.27  1.47  0.00 
assign ( resid   53 and name  HG2# )        ( resid   76 and name   HB# )         3.29  1.49  0.00 
assign ( resid   53 and name  HG1# )        ( resid   76 and name   HB# )         3.29  1.49  0.00 
assign ( resid   82 and name    HN )        ( resid   82 and name  HG2# )         3.99  2.19  0.00 
assign ( resid   77 and name    HN )        ( resid   77 and name  HG2# )         3.22  1.42  0.00 
assign ( resid   75 and name    HN )        ( resid   75 and name  HG2# )         3.55  1.75  0.00 
assign ( resid   75 and name  HG2# )        ( resid   76 and name    HN )         4.33  2.53  0.00 
assign ( resid   20 and name    HN )        ( resid   20 and name   HB# )         3.24  1.44  0.00 
assign ( resid   76 and name    HN )        ( resid   76 and name   HB# )         3.10  1.30  0.00 
assign ( resid   14 and name    HN )        ( resid   14 and name  HG1# )         4.06  2.26  0.00 
assign ( resid   14 and name    HN )        ( resid   14 and name  HG2# )         4.06  2.26  0.00 
assign ( resid   72 and name  HG2# )        ( resid   73 and name    HN )         3.48  1.68  0.00 
assign ( resid   75 and name    HN )        ( resid   77 and name  HG2# )         4.94  3.14  0.00 
assign ( resid   20 and name    HN )        ( resid   85 and name  HG2# )         4.94  3.14  0.00 
assign ( resid   14 and name  HG2# )        ( resid   15 and name    HN )         4.55  2.75  0.00 
assign ( resid   20 and name   HB# )        ( resid   24 and name    HN )         4.36  2.56  0.00 
assign ( resid   76 and name   HB# )        ( resid   78 and name    HN )         3.89  2.09  0.00 
assign ( resid   14 and name  HG1# )        ( resid   24 and name    HN )         5.18  3.38  0.00 
assign ( resid   14 and name  HG2# )        ( resid   24 and name    HN )         5.18  3.38  0.00 
assign ( resid   14 and name  HG1# )        ( resid   87 and name    HA )         4.73  2.93  0.00 
assign ( resid   14 and name  HG2# )        ( resid   87 and name    HA )         4.73  2.93  0.00 
assign ( resid   75 and name    HA )        ( resid   75 and name  HG2# )         3.20  1.40  0.00 
assign ( resid   20 and name   HB# )        ( resid   85 and name    HA )         4.97  3.17  0.00 
assign ( resid   76 and name   HB# )        ( resid   83 and name    HA )         4.80  3.00  0.00 
assign ( resid   76 and name    HA )        ( resid   82 and name  HG2# )         5.46  3.66  0.00 
assign ( resid   72 and name  HG2# )        ( resid   73 and name    HA )         5.05  3.25  0.00 
assign ( resid   85 and name    HA )        ( resid   85 and name  HG2# )         3.32  1.52  0.00 
assign ( resid   76 and name   HB# )        ( resid   81 and name   HA2 )         3.61  1.81  0.00 
assign ( resid   82 and name    HA )        ( resid   82 and name  HG2# )         2.98  1.18  0.00 
assign ( resid   72 and name    HA )        ( resid   72 and name  HG2# )         3.21  1.41  0.00 
assign ( resid   19 and name   HD2 )        ( resid   75 and name  HG2# )         4.10  2.30  0.00 
assign ( resid   19 and name   HD1 )        ( resid   75 and name  HG2# )         4.10  2.30  0.00 
assign ( resid   76 and name   HB# )        ( resid   81 and name   HA1 )         3.61  1.81  0.00 
assign ( resid   19 and name   HG1 )        ( resid   75 and name  HG2# )         3.55  1.75  0.00 
assign ( resid   19 and name   HG1 )        ( resid   72 and name  HG2# )         4.43  2.63  0.00 
assign ( resid   19 and name   HG2 )        ( resid   75 and name  HG2# )         3.55  1.75  0.00 
assign ( resid   20 and name   HB# )        ( resid   87 and name    HB )         5.35  3.55  0.00 
assign ( resid   19 and name   HG2 )        ( resid   72 and name  HG2# )         4.43  2.63  0.00 
assign ( resid   82 and name  HG2# )        ( resid   83 and name   HG2 )         4.35  2.55  0.00 
assign ( resid   14 and name  HG1# )        ( resid   20 and name   HB# )         4.28  2.48  0.00 
assign ( resid   14 and name  HG2# )        ( resid   20 and name   HB# )         4.28  2.48  0.00 
assign ( resid   20 and name   HB# )        ( resid   87 and name  HG2# )         2.90  1.10  0.00 
assign ( resid   26 and name   HB# )        ( resid   27 and name    HN )         3.73  1.93  0.00 
assign ( resid   59 and name    HN )        ( resid   59 and name  HG2# )         4.22  2.42  0.00 
assign ( resid   59 and name  HG2# )        ( resid   72 and name    HN )         5.99  4.19  0.00 
assign ( resid   30 and name    HN )        ( resid   30 and name  HG2# )         4.29  2.49  0.00 
assign ( resid   33 and name  HG2# )        ( resid   58 and name    HN )         5.20  3.40  0.00 
assign ( resid   26 and name    HN )        ( resid   26 and name   HB# )         2.99  1.19  0.00 
assign ( resid   17 and name    HN )        ( resid   21 and name   HB# )         3.94  2.14  0.00 
assign ( resid   21 and name   HB# )        ( resid   22 and name    HN )         4.08  2.28  0.00 
assign ( resid   57 and name    HN )        ( resid   57 and name  HG1# )         3.02  1.22  0.00 
assign ( resid   59 and name  HG2# )        ( resid   60 and name    HN )         3.52  1.72  0.00 
assign ( resid   45 and name  HG2# )        ( resid   46 and name    HN )         3.74  1.94  0.00 
assign ( resid   16 and name    HN )        ( resid   21 and name   HB# )         4.85  3.05  0.00 
assign ( resid   87 and name  HG2# )        ( resid   88 and name    HN )         4.15  2.35  0.00 
assign ( resid   21 and name    HN )        ( resid   21 and name   HB# )         3.07  1.27  0.00 
assign ( resid   15 and name    HN )        ( resid   87 and name  HG2# )         4.58  2.78  0.00 
assign ( resid   45 and name    HN )        ( resid   45 and name  HG2# )         3.90  2.10  0.00 
assign ( resid    9 and name    HN )        ( resid   30 and name  HG2# )         4.97  3.17  0.00 
assign ( resid   33 and name  HG2# )        ( resid   36 and name    HN )         4.83  3.03  0.00 
assign ( resid   23 and name    HN )        ( resid   23 and name  HG2# )         4.26  2.46  0.00 
assign ( resid   23 and name  HG2# )        ( resid   24 and name    HN )         3.95  2.15  0.00 
assign ( resid   87 and name    HN )        ( resid   87 and name  HG2# )         3.94  2.14  0.00 
assign ( resid   33 and name  HG2# )        ( resid   44 and name   HD# )         4.47  2.67  0.00 
assign ( resid   33 and name  HG2# )        ( resid   44 and name    HZ )         4.64  2.84  0.00 
assign ( resid   18 and name    HN )        ( resid   21 and name   HB# )         3.35  1.55  0.00 
assign ( resid   59 and name  HG2# )        ( resid   61 and name   HD# )         3.56  1.76  0.00 
assign ( resid   30 and name  HG2# )        ( resid   61 and name   HD# )         4.75  2.95  0.00 
assign ( resid   33 and name  HG2# )        ( resid   47 and name   HE# )         3.47  1.67  0.00 
assign ( resid   23 and name  HG2# )        ( resid   61 and name   HE# )         4.06  2.26  0.00 
assign ( resid   59 and name  HG2# )        ( resid   61 and name    HA )         5.30  3.50  0.00 
assign ( resid   30 and name  HG2# )        ( resid   61 and name    HA )         4.57  2.77  0.00 
assign ( resid   59 and name  HG2# )        ( resid   69 and name    HA )         5.00  3.20  0.00 
assign ( resid   57 and name    HA )        ( resid   57 and name  HG1# )         3.73  1.93  0.00 
assign ( resid   87 and name    HA )        ( resid   87 and name  HG2# )         3.34  1.54  0.00 
assign ( resid   59 and name    HA )        ( resid   59 and name  HG2# )         3.34  1.54  0.00 
assign ( resid   30 and name  HG2# )        ( resid   32 and name    HA )         4.69  2.89  0.00 
assign ( resid   30 and name  HG2# )        ( resid   59 and name    HA )         5.02  3.22  0.00 
assign ( resid   23 and name  HG2# )        ( resid   70 and name    HA )         4.85  3.05  0.00 
assign ( resid   85 and name    HA )        ( resid   87 and name  HG2# )         5.70  3.90  0.00 
assign ( resid   87 and name  HG2# )        ( resid   88 and name    HA )         6.00  4.20  0.00 
assign ( resid   16 and name    HA )        ( resid   21 and name   HB# )         3.44  1.64  0.00 
assign ( resid   14 and name    HA )        ( resid   87 and name  HG2# )         4.11  2.31  0.00 
assign ( resid   30 and name    HA )        ( resid   59 and name  HG2# )         5.57  3.77  0.00 
assign ( resid   45 and name  HG2# )        ( resid   46 and name    HA )         4.25  2.45  0.00 
assign ( resid   23 and name    HA )        ( resid   23 and name  HG2# )         3.20  1.40  0.00 
assign ( resid   42 and name    HA )        ( resid   45 and name  HG2# )         4.74  2.94  0.00 
assign ( resid   33 and name  HG2# )        ( resid   44 and name    HA )         4.59  2.79  0.00 
assign ( resid   33 and name  HG2# )        ( resid   47 and name   HB2 )         4.49  2.69  0.00 
assign ( resid   30 and name  HG2# )        ( resid   61 and name   HB2 )         4.25  2.45  0.00 
assign ( resid   45 and name  HG2# )        ( resid   48 and name    HB )         4.81  3.01  0.00 
assign ( resid   85 and name  HG2# )        ( resid   85 and name  HG1# )         3.60  1.80  0.00 
assign ( resid   23 and name  HG2# )        ( resid   23 and name  HG1# )         3.22  1.42  0.00 
assign ( resid   77 and name    HN )        ( resid   77 and name  HD1# )         3.69  1.89  0.00 
assign ( resid   33 and name    HN )        ( resid   33 and name  HD1# )         4.81  3.01  0.00 
assign ( resid   77 and name  HD1# )        ( resid   78 and name    HN )         4.58  2.78  0.00 
assign ( resid   44 and name    HZ )        ( resid   59 and name  HD1# )         4.55  2.75  0.00 
assign ( resid   33 and name  HD1# )        ( resid   44 and name    HZ )         4.01  2.21  0.00 
assign ( resid   59 and name  HD1# )        ( resid   61 and name   HD# )         4.68  2.88  0.00 
assign ( resid   87 and name    HA )        ( resid   87 and name  HD1# )         4.51  2.71  0.00 
assign ( resid   33 and name    HA )        ( resid   33 and name  HD1# )         4.04  2.24  0.00 
assign ( resid   59 and name    HA )        ( resid   59 and name  HD1# )         4.38  2.58  0.00 
assign ( resid   77 and name  HD1# )        ( resid   83 and name    HA )         4.33  2.53  0.00 
assign ( resid   85 and name    HA )        ( resid   85 and name  HD1# )         4.66  2.86  0.00 
assign ( resid   11 and name    HA )        ( resid   87 and name  HD1# )         5.51  3.71  0.00 
assign ( resid   77 and name  HD1# )        ( resid   78 and name   HB1 )         4.44  2.64  0.00 
assign ( resid   77 and name  HD1# )        ( resid   78 and name   HB2 )         4.44  2.64  0.00 
assign ( resid   87 and name    HB )        ( resid   87 and name  HD1# )         3.50  1.70  0.00 
assign ( resid   85 and name    HB )        ( resid   85 and name  HD1# )         3.40  1.60  0.00 
assign ( resid   59 and name  HG2# )        ( resid   59 and name  HD1# )         2.72  0.92  0.00 
assign ( resid   30 and name    HN )        ( resid   30 and name  HD1# )         4.54  2.74  0.00 
assign ( resid   72 and name    HN )        ( resid   72 and name  HD1# )         4.62  2.82  0.00 
assign ( resid   85 and name    HN )        ( resid   85 and name  HD1# )         4.27  2.47  0.00 
assign ( resid   30 and name  HD1# )        ( resid   31 and name    HN )         5.20  3.40  0.00 
assign ( resid   30 and name  HD1# )        ( resid   60 and name    HN )         5.37  3.57  0.00 
assign ( resid   42 and name    HN )        ( resid   45 and name  HD1# )         6.00  4.20  0.00 
assign ( resid   23 and name  HD1# )        ( resid   73 and name    HN )         6.00  4.20  0.00 
assign ( resid   45 and name    HN )        ( resid   45 and name  HD1# )         4.12  2.32  0.00 
assign ( resid   23 and name    HN )        ( resid   23 and name  HD1# )         4.35  2.55  0.00 
assign ( resid   23 and name  HD1# )        ( resid   24 and name    HN )         5.02  3.22  0.00 
assign ( resid   30 and name  HD1# )        ( resid   44 and name    HZ )         4.16  2.36  0.00 
assign ( resid   44 and name   HD# )        ( resid   45 and name  HD1# )         4.81  3.01  0.00 
assign ( resid   44 and name    HZ )        ( resid   48 and name  HD1# )         4.71  2.91  0.00 
assign ( resid   72 and name  HD1# )        ( resid   73 and name    HA )         6.00  4.20  0.00 
assign ( resid   72 and name    HA )        ( resid   72 and name  HD1# )         4.15  2.35  0.00 
assign ( resid   30 and name    HA )        ( resid   30 and name  HD1# )         4.10  2.30  0.00 
assign ( resid   23 and name  HD1# )        ( resid   72 and name    HA )         4.70  2.90  0.00 
assign ( resid   20 and name    HA )        ( resid   72 and name  HD1# )         4.55  2.75  0.00 
assign ( resid   20 and name    HA )        ( resid   23 and name  HD1# )         3.45  1.65  0.00 
assign ( resid   23 and name    HA )        ( resid   23 and name  HD1# )         3.97  2.17  0.00 
assign ( resid   45 and name    HA )        ( resid   45 and name  HD1# )         3.80  2.00  0.00 
assign ( resid   45 and name    HA )        ( resid   48 and name  HD1# )         4.03  2.23  0.00 
assign ( resid   30 and name  HD1# )        ( resid   61 and name   HB2 )         4.28  2.48  0.00 
assign ( resid   44 and name   HB2 )        ( resid   45 and name  HD1# )         4.42  2.62  0.00 
assign ( resid   48 and name    HB )        ( resid   48 and name  HD1# )         3.55  1.75  0.00 
assign ( resid   59 and name    HB )        ( resid   72 and name  HD1# )         3.87  2.07  0.00 
assign ( resid   30 and name  HD1# )        ( resid   59 and name    HB )         5.19  3.39  0.00 
assign ( resid   45 and name    HB )        ( resid   45 and name  HD1# )         3.47  1.67  0.00 
assign ( resid   72 and name    HB )        ( resid   72 and name  HD1# )         3.10  1.30  0.00 
assign ( resid   23 and name    HB )        ( resid   23 and name  HD1# )         2.70  0.90  0.00 
assign ( resid   30 and name  HD1# )        ( resid   59 and name  HG2# )         3.86  2.06  0.00 
assign ( resid   30 and name  HG2# )        ( resid   30 and name  HD1# )         2.83  1.03  0.00 
assign ( resid   48 and name  HG2# )        ( resid   48 and name  HD1# )         2.71  0.91  0.00 
assign ( resid   70 and name   HB# )        ( resid   71 and name    HN )         3.38  1.58  0.00 
assign ( resid    6 and name    HN )        ( resid    6 and name   HD# )         4.79  2.99  0.00 
assign ( resid   10 and name    HN )        ( resid   10 and name   HD# )         3.67  1.87  0.00 
assign ( resid   61 and name    HN )        ( resid   61 and name   HD# )         3.64  1.84  0.00 
assign ( resid   61 and name   HD# )        ( resid   69 and name    HA )         4.42  2.62  0.00 
assign ( resid   60 and name    HA )        ( resid   61 and name   HD# )         4.20  2.40  0.00 
assign ( resid   47 and name    HA )        ( resid   47 and name   HD# )         4.73  2.93  0.00 
assign ( resid   47 and name   HD# )        ( resid   48 and name    HA )         4.46  2.66  0.00 
assign ( resid    6 and name   HB2 )        ( resid    6 and name   HD# )         3.25  1.45  0.00 
assign ( resid    6 and name   HB1 )        ( resid    6 and name   HD# )         3.25  1.45  0.00 
assign ( resid   47 and name   HB2 )        ( resid   47 and name   HD# )         3.18  1.38  0.00 
assign ( resid   44 and name   HB2 )        ( resid   44 and name   HD# )         3.59  1.79  0.00 
assign ( resid   61 and name   HB2 )        ( resid   61 and name   HD# )         3.10  1.30  0.00 
assign ( resid   33 and name  HG2# )        ( resid   47 and name   HD# )         3.55  1.75  0.00 
assign ( resid   47 and name   HD# )        ( resid   48 and name  HG2# )         4.14  2.34  0.00 
assign ( resid   44 and name   HD# )        ( resid   48 and name  HD1# )         3.44  1.64  0.00 
assign ( resid   61 and name   HD# )        ( resid   70 and name   HB# )         5.18  3.38  0.00 
assign ( resid   10 and name   HD# )        ( resid   29 and name   HB1 )         5.07  3.27  0.00 
assign ( resid   38 and name    HA )        ( resid   38 and name   HD# )         4.13  2.33  0.00 
assign ( resid   61 and name   HE# )        ( resid   70 and name    HN )         4.11  2.31  0.00 
assign ( resid   61 and name   HE# )        ( resid   63 and name    HN )         5.27  3.47  0.00 
assign ( resid   47 and name   HE# )        ( resid   47 and name   HD# )         2.73  0.93  0.00 
assign ( resid    6 and name   HE# )        ( resid    6 and name   HD# )         2.43  0.63  0.00 
assign ( resid   61 and name   HE# )        ( resid   61 and name   HD# )         2.81  1.01  0.00 
assign ( resid   61 and name   HE# )        ( resid   69 and name    HA )         4.17  2.37  0.00 
assign ( resid   60 and name    HA )        ( resid   61 and name   HE# )         5.73  3.93  0.00 
assign ( resid   61 and name   HE# )        ( resid   63 and name    HA )         6.00  4.20  0.00 
assign ( resid   47 and name    HA )        ( resid   47 and name   HE# )         5.39  3.59  0.00 
assign ( resid   10 and name   HE# )        ( resid   29 and name   HB1 )         4.62  2.82  0.00 
assign ( resid   47 and name   HE# )        ( resid   48 and name  HG2# )         4.08  2.28  0.00 
assign ( resid   59 and name  HG2# )        ( resid   61 and name   HE# )         4.20  2.40  0.00 
assign ( resid   61 and name   HE# )        ( resid   70 and name   HB# )         3.22  1.42  0.00 
assign ( resid   44 and name    HZ )        ( resid   59 and name    HA )         6.00  4.20  0.00 
assign ( resid   33 and name    HB )        ( resid   44 and name    HZ )         5.80  4.00  0.00 
assign ( resid    3 and name   HG# )        ( resid    3 and name   HE# )         3.59  1.79  0.00 
assign ( resid    4 and name   HG# )        ( resid    5 and name    HN )         4.18  2.38  0.00 
assign ( resid    6 and name    HN )        ( resid    6 and name   HB# )         3.31  1.51  0.00 
assign ( resid    6 and name   HB# )        ( resid    7 and name    HN )         4.01  2.21  0.00 
assign ( resid    7 and name    HN )        ( resid    7 and name   HB# )         3.39  1.59  0.00 
assign ( resid    7 and name    HA )        ( resid    8 and name   HA# )         4.82  3.02  0.00 
assign ( resid    8 and name    HN )        ( resid   29 and name   HD# )         4.69  2.89  0.00 
assign ( resid    8 and name   HA# )        ( resid    9 and name   HG# )         5.00  3.20  0.00 
assign ( resid    8 and name   HA# )        ( resid   29 and name    HA )         5.28  3.48  0.00 
assign ( resid    8 and name   HA# )        ( resid   29 and name   HB2 )         5.24  3.44  0.00 
assign ( resid    8 and name   HA# )        ( resid   29 and name    HG )         4.76  2.96  0.00 
assign ( resid    8 and name   HA# )        ( resid   29 and name   HD# )         3.48  1.68  0.00 
assign ( resid    9 and name    HN )        ( resid   29 and name   HD# )         4.03  2.23  0.00 
assign ( resid    9 and name   HG# )        ( resid   10 and name   HB# )         5.49  3.69  0.00 
assign ( resid   10 and name    HN )        ( resid   10 and name   HB# )         3.37  1.57  0.00 
assign ( resid   10 and name    HN )        ( resid   29 and name   HD# )         4.60  2.80  0.00 
assign ( resid   10 and name    HN )        ( resid   90 and name   HG# )         4.52  2.72  0.00 
assign ( resid   10 and name   HB# )        ( resid   10 and name   HD# )         2.95  1.15  0.00 
assign ( resid   10 and name   HB# )        ( resid   90 and name   HG# )         3.34  1.54  0.00 
assign ( resid   10 and name   HE# )        ( resid   29 and name   HD# )         3.76  1.96  0.00 
assign ( resid   10 and name   HD# )        ( resid   29 and name   HD# )         4.26  2.46  0.00 
assign ( resid   10 and name   HD# )        ( resid   90 and name   HG# )         4.95  3.15  0.00 
assign ( resid   11 and name    HN )        ( resid   11 and name   HG# )         3.32  1.52  0.00 
assign ( resid   11 and name    HN )        ( resid   28 and name   HB# )         4.85  3.05  0.00 
assign ( resid   11 and name    HA )        ( resid   11 and name   HG# )         3.03  1.23  0.00 
assign ( resid   11 and name    HA )        ( resid   12 and name   HB# )         5.48  3.68  0.00 
assign ( resid   11 and name    HA )        ( resid   89 and name   HB# )         5.50  3.70  0.00 
assign ( resid   11 and name    HA )        ( resid   89 and name   HD# )         3.43  1.63  0.00 
assign ( resid   11 and name    HB )        ( resid   14 and name   HG# )         4.79  2.99  0.00 
assign ( resid   11 and name    HB )        ( resid   28 and name   HB# )         4.26  2.46  0.00 
assign ( resid   11 and name   HG# )        ( resid   12 and name    HN )         3.68  1.88  0.00 
assign ( resid   11 and name   HG# )        ( resid   12 and name    HA )         5.06  3.26  0.00 
assign ( resid   11 and name   HG# )        ( resid   13 and name    HN )         4.01  2.21  0.00 
assign ( resid   11 and name   HG# )        ( resid   14 and name    HA )         5.49  3.69  0.00 
assign ( resid   11 and name   HG# )        ( resid   25 and name    HN )         5.10  3.30  0.00 
assign ( resid   11 and name   HG# )        ( resid   26 and name    HN )         4.37  2.57  0.00 
assign ( resid   11 and name   HG# )        ( resid   26 and name    HA )         3.49  1.69  0.00 
assign ( resid   11 and name   HG# )        ( resid   26 and name   HB# )         4.56  2.76  0.00 
assign ( resid   11 and name   HG# )        ( resid   27 and name    HN )         3.97  2.17  0.00 
assign ( resid   11 and name   HG# )        ( resid   27 and name   HA# )         5.32  3.52  0.00 
assign ( resid   11 and name   HG# )        ( resid   28 and name    HN )         3.82  2.02  0.00 
assign ( resid   11 and name   HG# )        ( resid   28 and name   HB# )         3.29  1.49  0.00 
assign ( resid   11 and name   HG# )        ( resid   87 and name    HB )         3.71  1.91  0.00 
assign ( resid   11 and name   HG# )        ( resid   88 and name    HN )         4.07  2.27  0.00 
assign ( resid   12 and name    HN )        ( resid   12 and name   HB# )         3.61  1.81  0.00 
assign ( resid   12 and name    HN )        ( resid   12 and name   HD# )         3.91  2.11  0.00 
assign ( resid   12 and name    HN )        ( resid   90 and name   HG# )         5.12  3.32  0.00 
assign ( resid   12 and name    HA )        ( resid   12 and name   HD# )         2.99  1.19  0.00 
assign ( resid   12 and name   HB# )        ( resid   13 and name    HN )         3.46  1.66  0.00 
assign ( resid   12 and name   HB# )        ( resid   88 and name    HB )         3.88  2.08  0.00 
assign ( resid   12 and name   HB# )        ( resid   89 and name    HA )         5.06  3.26  0.00 
assign ( resid   12 and name   HD# )        ( resid   13 and name    HN )         4.47  2.67  0.00 
assign ( resid   12 and name   HD# )        ( resid   88 and name  HG2# )         3.84  2.04  0.00 
assign ( resid   13 and name    HN )        ( resid   14 and name   HG# )         4.79  2.99  0.00 
assign ( resid   13 and name    HA )        ( resid   14 and name   HG# )         4.10  2.30  0.00 
assign ( resid   13 and name   HB# )        ( resid   14 and name    HN )         3.26  1.46  0.00 
assign ( resid   14 and name    HN )        ( resid   14 and name   HG# )         3.36  1.56  0.00 
assign ( resid   14 and name   HG# )        ( resid   15 and name    HN )         3.38  1.58  0.00 
assign ( resid   14 and name   HG# )        ( resid   20 and name   HB# )         3.28  1.48  0.00 
assign ( resid   14 and name   HG# )        ( resid   21 and name    HA )         3.24  1.44  0.00 
assign ( resid   14 and name   HG# )        ( resid   22 and name    HN )         4.13  2.33  0.00 
assign ( resid   14 and name   HG# )        ( resid   22 and name   HA# )         5.73  3.93  0.00 
assign ( resid   14 and name   HG# )        ( resid   24 and name    HN )         4.50  2.70  0.00 
assign ( resid   14 and name   HG# )        ( resid   24 and name   HB# )         4.08  2.28  0.00 
assign ( resid   14 and name   HG# )        ( resid   25 and name    HN )         5.31  3.51  0.00 
assign ( resid   14 and name   HG# )        ( resid   25 and name    HA )         3.57  1.77  0.00 
assign ( resid   14 and name   HG# )        ( resid   26 and name    HN )         3.96  2.16  0.00 
assign ( resid   14 and name   HG# )        ( resid   26 and name    HA )         4.57  2.77  0.00 
assign ( resid   14 and name   HG# )        ( resid   26 and name   HB# )         5.10  3.30  0.00 
assign ( resid   14 and name   HG# )        ( resid   87 and name    HA )         4.11  2.31  0.00 
assign ( resid   15 and name    HN )        ( resid   15 and name   HB# )         3.68  1.88  0.00 
assign ( resid   15 and name    HN )        ( resid   15 and name   HD# )         5.04  3.24  0.00 
assign ( resid   15 and name    HN )        ( resid   18 and name   HG# )         3.57  1.77  0.00 
assign ( resid   15 and name    HA )        ( resid   18 and name   HG# )         4.48  2.68  0.00 
assign ( resid   16 and name    HN )        ( resid   16 and name   HB# )         3.16  1.36  0.00 
assign ( resid   16 and name    HN )        ( resid   16 and name   HG# )         4.14  2.34  0.00 
assign ( resid   16 and name    HN )        ( resid   18 and name   HG# )         4.57  2.77  0.00 
assign ( resid   16 and name    HA )        ( resid   16 and name   HG# )         3.37  1.57  0.00 
assign ( resid   16 and name    HA )        ( resid   17 and name   HB# )         5.52  3.72  0.00 
assign ( resid   16 and name   HG# )        ( resid   17 and name    HN )         4.91  3.11  0.00 
assign ( resid   17 and name    HN )        ( resid   17 and name   HB# )         3.70  1.90  0.00 
assign ( resid   17 and name    HN )        ( resid   18 and name   HG# )         4.61  2.81  0.00 
assign ( resid   17 and name   HB# )        ( resid   18 and name   HG# )         5.34  3.54  0.00 
assign ( resid   18 and name    HN )        ( resid   18 and name   HG# )         3.09  1.29  0.00 
assign ( resid   18 and name    HA )        ( resid   19 and name   HD# )         3.20  1.40  0.00 
assign ( resid   18 and name    HB )        ( resid   19 and name   HD# )         3.21  1.41  0.00 
assign ( resid   18 and name    HB )        ( resid   86 and name   HA# )         3.85  2.05  0.00 
assign ( resid   18 and name   HG# )        ( resid   19 and name   HD# )         3.78  1.98  0.00 
assign ( resid   18 and name   HG# )        ( resid   20 and name    HN )         3.52  1.72  0.00 
assign ( resid   18 and name   HG# )        ( resid   21 and name    HN )         3.25  1.45  0.00 
assign ( resid   18 and name   HG# )        ( resid   21 and name   HB# )         3.11  1.31  0.00 
assign ( resid   18 and name   HG# )        ( resid   86 and name   HA# )         3.24  1.44  0.00 
assign ( resid   19 and name   HB# )        ( resid   72 and name  HG2# )         3.45  1.65  0.00 
assign ( resid   19 and name   HB# )        ( resid   75 and name  HG2# )         4.33  2.53  0.00 
assign ( resid   19 and name   HB# )        ( resid   85 and name    HA )         5.68  3.88  0.00 
assign ( resid   19 and name   HB# )        ( resid   85 and name  HG2# )         5.22  3.42  0.00 
assign ( resid   19 and name   HG# )        ( resid   20 and name    HN )         4.78  2.98  0.00 
assign ( resid   19 and name   HG# )        ( resid   20 and name   HB# )         5.13  3.33  0.00 
assign ( resid   19 and name   HG# )        ( resid   72 and name  HG2# )         3.81  2.01  0.00 
assign ( resid   19 and name   HG# )        ( resid   75 and name    HN )         4.66  2.86  0.00 
assign ( resid   19 and name   HG# )        ( resid   75 and name    HB )         4.57  2.77  0.00 
assign ( resid   19 and name   HG# )        ( resid   85 and name    HA )         4.62  2.82  0.00 
assign ( resid   19 and name   HG# )        ( resid   85 and name  HG2# )         4.13  2.33  0.00 
assign ( resid   19 and name   HD# )        ( resid   20 and name    HN )         4.68  2.88  0.00 
assign ( resid   19 and name   HD# )        ( resid   75 and name  HG2# )         3.44  1.64  0.00 
assign ( resid   19 and name   HD# )        ( resid   85 and name    HA )         4.76  2.96  0.00 
assign ( resid   20 and name   HB# )        ( resid   86 and name   HA# )         4.85  3.05  0.00 
assign ( resid   21 and name   HB# )        ( resid   22 and name   HA# )         4.69  2.89  0.00 
assign ( resid   23 and name    HN )        ( resid   23 and name  HG1# )         3.78  1.98  0.00 
assign ( resid   23 and name    HA )        ( resid   23 and name  HG1# )         3.38  1.58  0.00 
assign ( resid   23 and name    HA )        ( resid   24 and name   HD# )         5.27  3.47  0.00 
assign ( resid   23 and name  HG2# )        ( resid   24 and name   HB# )         5.29  3.49  0.00 
assign ( resid   23 and name  HG2# )        ( resid   24 and name   HD# )         3.52  1.72  0.00 
assign ( resid   23 and name  HG1# )        ( resid   24 and name    HN )         4.56  2.76  0.00 
assign ( resid   24 and name    HN )        ( resid   24 and name   HB# )         3.56  1.76  0.00 
assign ( resid   24 and name    HN )        ( resid   24 and name   HD# )         4.41  2.61  0.00 
assign ( resid   24 and name    HA )        ( resid   24 and name   HD# )         3.23  1.43  0.00 
assign ( resid   24 and name    HA )        ( resid   25 and name   HB# )         4.83  3.03  0.00 
assign ( resid   24 and name    HA )        ( resid   28 and name   HB# )         5.28  3.48  0.00 
assign ( resid   24 and name   HB# )        ( resid   24 and name   HD# )         2.82  1.02  0.00 
assign ( resid   24 and name   HB# )        ( resid   25 and name    HN )         3.69  1.89  0.00 
assign ( resid   24 and name   HB# )        ( resid   28 and name   HB# )         4.41  2.61  0.00 
assign ( resid   24 and name   HB# )        ( resid   59 and name  HD1# )         5.81  4.01  0.00 
assign ( resid   24 and name    HG )        ( resid   28 and name   HB# )         5.81  4.01  0.00 
assign ( resid   24 and name    HG )        ( resid   59 and name  HG1# )         5.21  3.41  0.00 
assign ( resid   24 and name   HD# )        ( resid   25 and name    HN )         4.05  2.25  0.00 
assign ( resid   24 and name   HD# )        ( resid   28 and name    HN )         5.56  3.76  0.00 
assign ( resid   24 and name   HD# )        ( resid   28 and name    HA )         4.98  3.18  0.00 
assign ( resid   24 and name   HD# )        ( resid   28 and name   HB# )         3.36  1.56  0.00 
assign ( resid   24 and name   HD# )        ( resid   59 and name  HG2# )         3.29  1.49  0.00 
assign ( resid   24 and name   HD# )        ( resid   59 and name  HG1# )         4.31  2.51  0.00 
assign ( resid   24 and name   HD# )        ( resid   59 and name  HD1# )         3.91  2.11  0.00 
assign ( resid   24 and name   HD# )        ( resid   61 and name   HE# )         4.10  2.30  0.00 
assign ( resid   24 and name   HD# )        ( resid   61 and name   HD# )         3.80  2.00  0.00 
assign ( resid   25 and name    HN )        ( resid   25 and name   HB# )         3.48  1.68  0.00 
assign ( resid   25 and name   HB# )        ( resid   26 and name    HN )         3.52  1.72  0.00 
assign ( resid   26 and name   HB# )        ( resid   27 and name   HA# )         4.70  2.90  0.00 
assign ( resid   28 and name    HN )        ( resid   28 and name   HB# )         3.22  1.42  0.00 
assign ( resid   29 and name    HN )        ( resid   29 and name   HD# )         3.64  1.84  0.00 
assign ( resid   29 and name    HA )        ( resid   29 and name   HD# )         3.25  1.45  0.00 
assign ( resid   30 and name    HN )        ( resid   30 and name  HG1# )         4.72  2.92  0.00 
assign ( resid   30 and name  HG1# )        ( resid   61 and name    HA )         5.35  3.55  0.00 
assign ( resid   30 and name  HG1# )        ( resid   61 and name   HB2 )         5.03  3.23  0.00 
assign ( resid   30 and name  HG1# )        ( resid   61 and name   HD# )         5.24  3.44  0.00 
assign ( resid   32 and name    HN )        ( resid   32 and name   HB# )         3.49  1.69  0.00 
assign ( resid   32 and name    HN )        ( resid   32 and name   HG# )         4.87  3.07  0.00 
assign ( resid   32 and name    HN )        ( resid   60 and name   HB# )         3.97  2.17  0.00 
assign ( resid   32 and name    HA )        ( resid   32 and name   HG# )         3.63  1.83  0.00 
assign ( resid   32 and name    HA )        ( resid   60 and name   HG# )         5.34  3.54  0.00 
assign ( resid   32 and name   HB# )        ( resid   33 and name    HN )         4.14  2.34  0.00 
assign ( resid   32 and name   HB# )        ( resid   60 and name    HN )         4.99  3.19  0.00 
assign ( resid   32 and name   HB# )        ( resid   60 and name   HG# )         4.34  2.54  0.00 
assign ( resid   32 and name   HB# )        ( resid   60 and name   HE# )         4.33  2.53  0.00 
assign ( resid   32 and name   HG# )        ( resid   33 and name    HN )         3.98  2.18  0.00 
assign ( resid   32 and name   HG# )        ( resid   35 and name    HN )         4.27  2.47  0.00 
assign ( resid   32 and name   HG# )        ( resid   36 and name    HN )         4.70  2.90  0.00 
assign ( resid   32 and name   HG# )        ( resid   60 and name   HG# )         4.84  3.04  0.00 
assign ( resid   33 and name    HN )        ( resid   33 and name  HG1# )         4.50  2.70  0.00 
assign ( resid   33 and name  HG2# )        ( resid   34 and name   HB# )         4.49  2.69  0.00 
assign ( resid   34 and name    HN )        ( resid   58 and name   HB# )         4.55  2.75  0.00 
assign ( resid   34 and name    HA )        ( resid   58 and name   HB# )         3.63  1.83  0.00 
assign ( resid   35 and name   HA# )        ( resid   36 and name   HG# )         4.59  2.79  0.00 
assign ( resid   36 and name    HN )        ( resid   36 and name   HG# )         3.71  1.91  0.00 
assign ( resid   36 and name    HA )        ( resid   36 and name   HG# )         3.32  1.52  0.00 
assign ( resid   36 and name   HB# )        ( resid   37 and name    HN )         3.75  1.95  0.00 
assign ( resid   36 and name   HB# )        ( resid   38 and name   HE# )         4.35  2.55  0.00 
assign ( resid   36 and name   HG# )        ( resid   37 and name    HN )         5.04  3.24  0.00 
assign ( resid   37 and name   HB# )        ( resid   38 and name    HN )         3.51  1.71  0.00 
assign ( resid   38 and name   HB# )        ( resid   39 and name    HN )         4.46  2.66  0.00 
assign ( resid   38 and name   HB# )        ( resid   39 and name   HB# )         5.09  3.29  0.00 
assign ( resid   38 and name   HB# )        ( resid   40 and name    HN )         5.07  3.27  0.00 
assign ( resid   39 and name    HN )        ( resid   39 and name   HB# )         3.56  1.76  0.00 
assign ( resid   39 and name    HN )        ( resid   39 and name   HG# )         4.59  2.79  0.00 
assign ( resid   39 and name    HA )        ( resid   39 and name   HG# )         3.70  1.90  0.00 
assign ( resid   39 and name   HB# )        ( resid   40 and name    HN )         4.39  2.59  0.00 
assign ( resid   40 and name    HN )        ( resid   40 and name   HB# )         3.66  1.86  0.00 
assign ( resid   40 and name   HB# )        ( resid   41 and name    HN )         3.81  2.01  0.00 
assign ( resid   40 and name   HB# )        ( resid   42 and name    HN )         4.01  2.21  0.00 
assign ( resid   40 and name   HB# )        ( resid   43 and name    HN )         4.58  2.78  0.00 
assign ( resid   42 and name    HN )        ( resid   42 and name   HG# )         4.59  2.79  0.00 
assign ( resid   42 and name    HA )        ( resid   45 and name  HG1# )         4.71  2.91  0.00 
assign ( resid   42 and name   HG# )        ( resid   43 and name    HN )         4.83  3.03  0.00 
assign ( resid   42 and name   HG# )        ( resid   45 and name    HB )         4.25  2.45  0.00 
assign ( resid   42 and name   HG# )        ( resid   45 and name  HG2# )         4.92  3.12  0.00 
assign ( resid   43 and name    HN )        ( resid   43 and name   HG# )         4.24  2.44  0.00 
assign ( resid   43 and name    HA )        ( resid   43 and name   HG# )         3.50  1.70  0.00 
assign ( resid   43 and name    HA )        ( resid   46 and name   HB# )         3.59  1.79  0.00 
assign ( resid   43 and name   HG# )        ( resid   44 and name    HN )         5.03  3.23  0.00 
assign ( resid   44 and name   HD# )        ( resid   48 and name  HG1# )         4.08  2.28  0.00 
assign ( resid   44 and name    HZ )        ( resid   59 and name  HG1# )         5.81  4.01  0.00 
assign ( resid   45 and name    HA )        ( resid   45 and name  HG1# )         3.56  1.76  0.00 
assign ( resid   45 and name    HA )        ( resid   48 and name  HG1# )         3.77  1.97  0.00 
assign ( resid   45 and name  HG2# )        ( resid   45 and name  HG1# )         3.23  1.43  0.00 
assign ( resid   45 and name  HG2# )        ( resid   48 and name  HG1# )         4.11  2.31  0.00 
assign ( resid   46 and name    HN )        ( resid   46 and name   HB# )         3.14  1.34  0.00 
assign ( resid   46 and name    HA )        ( resid   49 and name   HB# )         3.57  1.77  0.00 
assign ( resid   46 and name   HB# )        ( resid   47 and name    HN )         3.60  1.80  0.00 
assign ( resid   47 and name   HB2 )        ( resid   48 and name  HG1# )         4.91  3.11  0.00 
assign ( resid   47 and name   HD# )        ( resid   48 and name  HG1# )         4.46  2.66  0.00 
assign ( resid   48 and name    HN )        ( resid   48 and name  HG1# )         3.14  1.34  0.00 
assign ( resid   48 and name    HA )        ( resid   48 and name  HG1# )         3.51  1.71  0.00 
assign ( resid   48 and name    HA )        ( resid   51 and name   HG# )         4.19  2.39  0.00 
assign ( resid   48 and name  HG2# )        ( resid   48 and name  HG1# )         3.15  1.35  0.00 
assign ( resid   48 and name  HG1# )        ( resid   49 and name    HN )         4.55  2.75  0.00 
assign ( resid   49 and name    HN )        ( resid   49 and name   HB# )         3.26  1.46  0.00 
assign ( resid   49 and name    HA )        ( resid   83 and name   HD# )         5.81  4.01  0.00 
assign ( resid   49 and name   HB# )        ( resid   50 and name    HN )         4.19  2.39  0.00 
assign ( resid   50 and name    HN )        ( resid   50 and name   HB# )         3.50  1.70  0.00 
assign ( resid   50 and name    HN )        ( resid   51 and name   HG# )         5.45  3.65  0.00 
assign ( resid   51 and name    HN )        ( resid   51 and name   HB# )         3.28  1.48  0.00 
assign ( resid   51 and name    HN )        ( resid   51 and name   HG# )         3.77  1.97  0.00 
assign ( resid   51 and name    HN )        ( resid   51 and name   HD# )         4.89  3.09  0.00 
assign ( resid   51 and name    HA )        ( resid   51 and name   HG# )         3.64  1.84  0.00 
assign ( resid   51 and name    HA )        ( resid   51 and name   HD# )         3.46  1.66  0.00 
assign ( resid   51 and name   HB# )        ( resid   51 and name   HE# )         4.88  3.08  0.00 
assign ( resid   51 and name   HB# )        ( resid   52 and name    HN )         3.21  1.41  0.00 
assign ( resid   51 and name   HB# )        ( resid   55 and name   HB# )         3.76  1.96  0.00 
assign ( resid   51 and name   HD# )        ( resid   52 and name    HN )         4.45  2.65  0.00 
assign ( resid   51 and name   HD# )        ( resid   55 and name   HB# )         4.31  2.51  0.00 
assign ( resid   52 and name    HN )        ( resid   52 and name   HB# )         3.32  1.52  0.00 
assign ( resid   52 and name    HN )        ( resid   52 and name   HG# )         4.04  2.24  0.00 
assign ( resid   52 and name    HN )        ( resid   55 and name   HB# )         3.80  2.00  0.00 
assign ( resid   52 and name    HA )        ( resid   52 and name   HG# )         3.57  1.77  0.00 
assign ( resid   52 and name   HB# )        ( resid   52 and name   HE# )         4.54  2.74  0.00 
assign ( resid   52 and name   HB# )        ( resid   53 and name    HN )         4.28  2.48  0.00 
assign ( resid   52 and name   HG# )        ( resid   53 and name    HN )         4.56  2.76  0.00 
assign ( resid   53 and name    HN )        ( resid   53 and name   HG# )         3.12  1.32  0.00 
assign ( resid   53 and name    HN )        ( resid   74 and name   HB# )         5.33  3.53  0.00 
assign ( resid   53 and name    HN )        ( resid   83 and name   HB# )         4.51  2.71  0.00 
assign ( resid   53 and name    HA )        ( resid   54 and name   HA# )         4.38  2.58  0.00 
assign ( resid   53 and name    HA )        ( resid   74 and name   HB# )         4.05  2.25  0.00 
assign ( resid   53 and name    HA )        ( resid   83 and name   HB# )         3.83  2.03  0.00 
assign ( resid   53 and name   HG# )        ( resid   54 and name    HN )         3.30  1.50  0.00 
assign ( resid   53 and name   HG# )        ( resid   54 and name   HA# )         3.76  1.96  0.00 
assign ( resid   53 and name   HG# )        ( resid   55 and name    HN )         4.64  2.84  0.00 
assign ( resid   53 and name   HG# )        ( resid   75 and name    HA )         3.71  1.91  0.00 
assign ( resid   53 and name   HG# )        ( resid   76 and name    HN )         3.77  1.97  0.00 
assign ( resid   53 and name   HG# )        ( resid   76 and name    HA )         3.44  1.64  0.00 
assign ( resid   53 and name   HG# )        ( resid   77 and name    HN )         5.35  3.55  0.00 
assign ( resid   53 and name   HG# )        ( resid   81 and name   HA# )         4.21  2.41  0.00 
assign ( resid   53 and name   HG# )        ( resid   83 and name    HA )         3.26  1.46  0.00 
assign ( resid   53 and name   HG# )        ( resid   83 and name   HB# )         3.22  1.42  0.00 
assign ( resid   53 and name   HG# )        ( resid   83 and name   HG1 )         4.71  2.91  0.00 
assign ( resid   53 and name   HG# )        ( resid   83 and name   HG2 )         4.22  2.42  0.00 
assign ( resid   53 and name   HG# )        ( resid   83 and name   HD# )         3.63  1.83  0.00 
assign ( resid   53 and name   HG# )        ( resid   84 and name    HN )         4.76  2.96  0.00 
assign ( resid   54 and name    HN )        ( resid   73 and name   HG# )         4.40  2.60  0.00 
assign ( resid   54 and name    HN )        ( resid   74 and name   HB# )         3.83  2.03  0.00 
assign ( resid   54 and name    HN )        ( resid   83 and name   HB# )         4.59  2.79  0.00 
assign ( resid   54 and name   HA# )        ( resid   73 and name    HA )         5.23  3.43  0.00 
assign ( resid   54 and name   HA# )        ( resid   73 and name   HB# )         5.53  3.73  0.00 
assign ( resid   54 and name   HA# )        ( resid   73 and name   HG# )         3.98  2.18  0.00 
assign ( resid   54 and name   HA# )        ( resid   73 and name   HD# )         5.61  3.81  0.00 
assign ( resid   54 and name   HA# )        ( resid   73 and name   HE# )         5.28  3.48  0.00 
assign ( resid   55 and name    HN )        ( resid   55 and name   HB# )         3.04  1.24  0.00 
assign ( resid   55 and name    HN )        ( resid   73 and name   HG# )         5.15  3.35  0.00 
assign ( resid   55 and name    HN )        ( resid   74 and name   HB# )         3.94  2.14  0.00 
assign ( resid   55 and name    HN )        ( resid   74 and name   HD# )         5.29  3.49  0.00 
assign ( resid   55 and name    HN )        ( resid   83 and name   HB# )         5.14  3.34  0.00 
assign ( resid   55 and name   HB# )        ( resid   56 and name    HN )         3.42  1.62  0.00 
assign ( resid   55 and name   HB# )        ( resid   57 and name   HG# )         4.50  2.70  0.00 
assign ( resid   55 and name   HB# )        ( resid   74 and name    HG )         3.92  2.12  0.00 
assign ( resid   55 and name   HB# )        ( resid   74 and name   HD# )         5.73  3.93  0.00 
assign ( resid   57 and name    HA )        ( resid   57 and name   HG# )         2.96  1.16  0.00 
assign ( resid   57 and name    HB )        ( resid   74 and name   HD# )         4.54  2.74  0.00 
assign ( resid   57 and name   HG# )        ( resid   58 and name    HN )         3.92  2.12  0.00 
assign ( resid   57 and name   HG# )        ( resid   58 and name    HA )         4.50  2.70  0.00 
assign ( resid   57 and name   HG# )        ( resid   59 and name    HN )         4.19  2.39  0.00 
assign ( resid   57 and name   HG# )        ( resid   59 and name    HB )         4.18  2.38  0.00 
assign ( resid   57 and name   HG# )        ( resid   71 and name    HA )         3.88  2.08  0.00 
assign ( resid   57 and name   HG# )        ( resid   71 and name   HB# )         4.21  2.41  0.00 
assign ( resid   57 and name   HG# )        ( resid   72 and name    HN )         4.17  2.37  0.00 
assign ( resid   57 and name   HG# )        ( resid   72 and name  HD1# )         3.04  1.24  0.00 
assign ( resid   57 and name   HG# )        ( resid   74 and name   HD# )         2.84  1.04  0.00 
assign ( resid   58 and name    HN )        ( resid   58 and name   HG# )         4.67  2.87  0.00 
assign ( resid   58 and name    HA )        ( resid   58 and name   HG# )         3.64  1.84  0.00 
assign ( resid   58 and name    HA )        ( resid   71 and name   HB# )         4.88  3.08  0.00 
assign ( resid   58 and name   HB# )        ( resid   58 and name   HE# )         4.21  2.41  0.00 
assign ( resid   58 and name   HB# )        ( resid   71 and name   HB# )         5.61  3.81  0.00 
assign ( resid   59 and name    HN )        ( resid   59 and name  HG1# )         4.12  2.32  0.00 
assign ( resid   59 and name    HN )        ( resid   69 and name   HB# )         5.48  3.68  0.00 
assign ( resid   59 and name  HG1# )        ( resid   61 and name   HD# )         4.40  2.60  0.00 
assign ( resid   59 and name  HG1# )        ( resid   70 and name    HN )         5.59  3.79  0.00 
assign ( resid   60 and name    HN )        ( resid   60 and name   HG# )         4.95  3.15  0.00 
assign ( resid   60 and name    HA )        ( resid   60 and name   HG# )         3.50  1.70  0.00 
assign ( resid   60 and name    HA )        ( resid   69 and name   HB# )         3.96  2.16  0.00 
assign ( resid   60 and name    HA )        ( resid   69 and name   HG# )         5.56  3.76  0.00 
assign ( resid   60 and name   HB# )        ( resid   61 and name    HN )         4.39  2.59  0.00 
assign ( resid   60 and name   HG# )        ( resid   60 and name   HE# )         3.32  1.52  0.00 
assign ( resid   60 and name   HG# )        ( resid   61 and name    HN )         4.43  2.63  0.00 
assign ( resid   60 and name   HG# )        ( resid   61 and name    HA )         4.82  3.02  0.00 
assign ( resid   61 and name   HE# )        ( resid   63 and name   HB# )         3.66  1.86  0.00 
assign ( resid   61 and name   HE# )        ( resid   68 and name   HB# )         3.91  2.11  0.00 
assign ( resid   61 and name   HE# )        ( resid   68 and name   HG# )         4.45  2.65  0.00 
assign ( resid   63 and name    HN )        ( resid   63 and name   HB# )         3.55  1.75  0.00 
assign ( resid   63 and name   HB# )        ( resid   68 and name   HB# )         5.24  3.44  0.00 
assign ( resid   63 and name   HB# )        ( resid   68 and name   HG# )         4.24  2.44  0.00 
assign ( resid   64 and name   HA# )        ( resid   65 and name    HN )         2.93  1.13  0.00 
assign ( resid   64 and name   HA# )        ( resid   66 and name    HN )         4.36  2.56  0.00 
assign ( resid   65 and name    HN )        ( resid   65 and name   HB# )         3.45  1.65  0.00 
assign ( resid   65 and name   HB# )        ( resid   66 and name    HN )         4.28  2.48  0.00 
assign ( resid   66 and name    HN )        ( resid   66 and name   HB# )         3.63  1.83  0.00 
assign ( resid   66 and name    HN )        ( resid   66 and name   HG# )         4.36  2.56  0.00 
assign ( resid   66 and name   HB# )        ( resid   67 and name    HN )         3.95  2.15  0.00 
assign ( resid   66 and name   HG# )        ( resid   67 and name    HN )         4.57  2.77  0.00 
assign ( resid   67 and name    HN )        ( resid   67 and name   HB# )         3.26  1.46  0.00 
assign ( resid   67 and name    HA )        ( resid   68 and name   HG# )         4.93  3.13  0.00 
assign ( resid   68 and name    HN )        ( resid   68 and name   HG# )         3.94  2.14  0.00 
assign ( resid   68 and name    HA )        ( resid   68 and name   HG# )         3.64  1.84  0.00 
assign ( resid   68 and name   HB# )        ( resid   69 and name    HN )         3.83  2.03  0.00 
assign ( resid   68 and name   HG# )        ( resid   69 and name    HN )         4.78  2.98  0.00 
assign ( resid   69 and name    HA )        ( resid   69 and name   HG# )         3.63  1.83  0.00 
assign ( resid   69 and name   HB# )        ( resid   70 and name    HN )         4.00  2.20  0.00 
assign ( resid   69 and name   HG# )        ( resid   70 and name    HN )         4.00  2.20  0.00 
assign ( resid   69 and name   HG# )        ( resid   70 and name    HA )         4.75  2.95  0.00 
assign ( resid   69 and name   HG# )        ( resid   70 and name   HB# )         4.66  2.86  0.00 
assign ( resid   70 and name    HA )        ( resid   71 and name   HB# )         4.73  2.93  0.00 
assign ( resid   71 and name   HB# )        ( resid   72 and name    HN )         3.92  2.12  0.00 
assign ( resid   72 and name    HN )        ( resid   72 and name  HG1# )         3.98  2.18  0.00 
assign ( resid   72 and name    HA )        ( resid   72 and name  HG1# )         3.68  1.88  0.00 
assign ( resid   72 and name    HA )        ( resid   73 and name   HB# )         4.85  3.05  0.00 
assign ( resid   73 and name    HN )        ( resid   73 and name   HB# )         3.15  1.35  0.00 
assign ( resid   73 and name    HN )        ( resid   73 and name   HG# )         4.44  2.64  0.00 
assign ( resid   73 and name    HA )        ( resid   73 and name   HG# )         3.56  1.76  0.00 
assign ( resid   73 and name    HA )        ( resid   73 and name   HD# )         4.21  2.41  0.00 
assign ( resid   73 and name   HB# )        ( resid   74 and name    HN )         4.43  2.63  0.00 
assign ( resid   73 and name   HG# )        ( resid   74 and name    HN )         3.70  1.90  0.00 
assign ( resid   74 and name    HN )        ( resid   74 and name   HB# )         3.48  1.68  0.00 
assign ( resid   74 and name    HN )        ( resid   74 and name   HD# )         3.57  1.77  0.00 
assign ( resid   74 and name    HA )        ( resid   74 and name   HD# )         3.16  1.36  0.00 
assign ( resid   74 and name   HB# )        ( resid   75 and name    HN )         4.01  2.21  0.00 
assign ( resid   74 and name   HB# )        ( resid   83 and name    HA )         4.83  3.03  0.00 
assign ( resid   74 and name   HB# )        ( resid   83 and name   HB# )         3.20  1.40  0.00 
assign ( resid   74 and name   HB# )        ( resid   84 and name    HN )         4.26  2.46  0.00 
assign ( resid   74 and name    HG )        ( resid   83 and name   HB# )         3.19  1.39  0.00 
assign ( resid   74 and name   HD# )        ( resid   75 and name    HN )         3.95  2.15  0.00 
assign ( resid   74 and name   HD# )        ( resid   83 and name    HA )         4.14  2.34  0.00 
assign ( resid   74 and name   HD# )        ( resid   83 and name   HB# )         3.53  1.73  0.00 
assign ( resid   74 and name   HD# )        ( resid   85 and name    HA )         4.99  3.19  0.00 
assign ( resid   75 and name    HN )        ( resid   83 and name   HB# )         4.64  2.84  0.00 
assign ( resid   76 and name    HA )        ( resid   83 and name   HD# )         5.04  3.24  0.00 
assign ( resid   76 and name   HB# )        ( resid   81 and name   HA# )         3.11  1.31  0.00 
assign ( resid   77 and name    HN )        ( resid   77 and name  HG1# )         3.41  1.61  0.00 
assign ( resid   77 and name    HA )        ( resid   77 and name  HG1# )         3.62  1.82  0.00 
assign ( resid   77 and name    HB )        ( resid   84 and name   HA# )         5.59  3.79  0.00 
assign ( resid   77 and name  HG2# )        ( resid   77 and name  HG1# )         2.99  1.19  0.00 
assign ( resid   77 and name  HG2# )        ( resid   78 and name   HB# )         5.50  3.70  0.00 
assign ( resid   77 and name  HG2# )        ( resid   84 and name   HA# )         3.38  1.58  0.00 
assign ( resid   77 and name  HG1# )        ( resid   82 and name    HB )         4.59  2.79  0.00 
assign ( resid   77 and name  HG1# )        ( resid   84 and name   HA# )         4.03  2.23  0.00 
assign ( resid   77 and name  HD1# )        ( resid   78 and name   HB# )         3.67  1.87  0.00 
assign ( resid   77 and name  HD1# )        ( resid   84 and name   HA# )         3.57  1.77  0.00 
assign ( resid   78 and name   HB# )        ( resid   79 and name    HN )         3.44  1.64  0.00 
assign ( resid   78 and name   HB# )        ( resid   80 and name    HN )         3.97  2.17  0.00 
assign ( resid   78 and name   HB# )        ( resid   81 and name    HN )         5.47  3.67  0.00 
assign ( resid   79 and name    HN )        ( resid   79 and name   HB# )         3.52  1.72  0.00 
assign ( resid   79 and name    HN )        ( resid   79 and name   HG# )         3.81  2.01  0.00 
assign ( resid   79 and name    HA )        ( resid   79 and name   HG# )         3.59  1.79  0.00 
assign ( resid   79 and name   HB# )        ( resid   79 and name   HE# )         4.52  2.72  0.00 
assign ( resid   79 and name   HG# )        ( resid   79 and name   HD# )         2.33  0.53  0.00 
assign ( resid   80 and name    HN )        ( resid   80 and name   HB# )         3.19  1.39  0.00 
assign ( resid   80 and name    HN )        ( resid   80 and name   HG# )         3.65  1.85  0.00 
assign ( resid   80 and name    HN )        ( resid   80 and name   HD# )         4.72  2.92  0.00 
assign ( resid   80 and name    HA )        ( resid   80 and name   HG# )         3.30  1.50  0.00 
assign ( resid   80 and name    HA )        ( resid   80 and name   HD# )         4.70  2.90  0.00 
assign ( resid   80 and name   HB# )        ( resid   81 and name    HN )         4.07  2.27  0.00 
assign ( resid   80 and name   HB# )        ( resid   82 and name    HN )         4.34  2.54  0.00 
assign ( resid   80 and name   HG# )        ( resid   80 and name   HE# )         3.47  1.67  0.00 
assign ( resid   82 and name  HG2# )        ( resid   83 and name   HD# )         3.68  1.88  0.00 
assign ( resid   83 and name   HB# )        ( resid   84 and name    HN )         3.95  2.15  0.00 
assign ( resid   84 and name   HA# )        ( resid   85 and name  HG1# )         4.71  2.91  0.00 
assign ( resid   85 and name    HN )        ( resid   85 and name  HG1# )         3.63  1.83  0.00 
assign ( resid   85 and name  HG2# )        ( resid   85 and name  HG1# )         3.02  1.22  0.00 
assign ( resid   85 and name  HG1# )        ( resid   87 and name    HN )         5.50  3.70  0.00 
assign ( resid   86 and name   HA# )        ( resid   87 and name  HG2# )         4.63  2.83  0.00 
assign ( resid   87 and name    HN )        ( resid   87 and name  HG1# )         3.94  2.14  0.00 
assign ( resid   87 and name    HA )        ( resid   87 and name  HG1# )         3.63  1.83  0.00 
assign ( resid   87 and name  HG1# )        ( resid   88 and name    HN )         4.35  2.55  0.00 
assign ( resid   88 and name  HG2# )        ( resid   89 and name   HD# )         4.46  2.66  0.00 
assign ( resid   89 and name    HN )        ( resid   89 and name   HB# )         3.36  1.56  0.00 
assign ( resid   89 and name    HA )        ( resid   89 and name   HD# )         3.33  1.53  0.00 
assign ( resid   89 and name    HA )        ( resid   90 and name   HG# )         4.72  2.92  0.00 
assign ( resid   89 and name   HB# )        ( resid   90 and name    HN )         3.63  1.83  0.00 
assign ( resid   89 and name   HD# )        ( resid   90 and name    HN )         4.06  2.26  0.00 
assign ( resid   90 and name    HN )        ( resid   90 and name   HG# )         3.23  1.43  0.00 
assign ( resid   90 and name    HN )        ( resid   91 and name   HB# )         5.56  3.76  0.00 
assign ( resid   90 and name    HA )        ( resid   90 and name   HG# )         3.01  1.21  0.00 
assign ( resid   90 and name   HG# )        ( resid   91 and name    HN )         3.50  1.70  0.00 
assign ( resid   90 and name   HG# )        ( resid   91 and name   HB# )         4.15  2.35  0.00 
assign ( resid   90 and name   HG# )        ( resid   92 and name    HN )         5.14  3.34  0.00 
assign ( resid   91 and name    HN )        ( resid   91 and name   HB# )         3.33  1.53  0.00 
assign ( resid   91 and name   HB# )        ( resid   92 and name    HN )         4.19  2.39  0.00 
assign ( resid   92 and name    HN )        ( resid   92 and name   HB# )         3.49  1.69  0.00 
assign ( resid   92 and name   HB# )        ( resid   93 and name    HN )         4.31  2.51  0.00 
assign ( resid   93 and name    HN )        ( resid   93 and name   HB# )         3.59  1.79  0.00 
assign ( resid   93 and name    HA )        ( resid   93 and name   HD# )         3.23  1.43  0.00 
assign ( resid   94 and name    HN )        ( resid   94 and name   HB# )         3.26  1.46  0.00 
assign ( resid   94 and name    HN )        ( resid   94 and name   HG# )         3.76  1.96  0.00 
assign ( resid   94 and name    HA )        ( resid   94 and name   HG# )         3.58  1.78  0.00 
assign ( resid   94 and name   HG# )        ( resid   95 and name    HN )         5.22  3.42  0.00 
assign (resid    8 and name C    ) (resid    9 and name N    )       (resid    9 and name CA   ) (resid    9 and name C    )    1.0 -133.0   20.0 2
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assign (resid   63 and name N    ) (resid   63 and name CA   )       (resid   63 and name C    ) (resid   64 and name N    )    1.0  118.0   18.0 2
assign (resid   63 and name C    ) (resid   64 and name N    )       (resid   64 and name CA   ) (resid   64 and name C    )    1.0   72.0   10.0 2
assign (resid   64 and name N    ) (resid   64 and name CA   )       (resid   64 and name C    ) (resid   65 and name N    )    1.0 -123.0   10.0 2
assign (resid   64 and name C    ) (resid   65 and name N    )       (resid   65 and name CA   ) (resid   65 and name C    )    1.0 -102.0   10.0 2
assign (resid   65 and name N    ) (resid   65 and name CA   )       (resid   65 and name C    ) (resid   66 and name N    )    1.0   -3.0   17.0 2
assign (resid   65 and name C    ) (resid   66 and name N    )       (resid   66 and name CA   ) (resid   66 and name C    )    1.0 -108.0   24.0 2
assign (resid   66 and name N    ) (resid   66 and name CA   )       (resid   66 and name C    ) (resid   67 and name N    )    1.0  132.0   25.0 2
assign (resid   66 and name C    ) (resid   67 and name N    )       (resid   67 and name CA   ) (resid   67 and name C    )    1.0  -89.0   11.0 2
assign (resid   67 and name N    ) (resid   67 and name CA   )       (resid   67 and name C    ) (resid   68 and name N    )    1.0  133.0   11.0 2
assign (resid   67 and name C    ) (resid   68 and name N    )       (resid   68 and name CA   ) (resid   68 and name C    )    1.0 -133.0   23.0 2
assign (resid   68 and name N    ) (resid   68 and name CA   )       (resid   68 and name C    ) (resid   69 and name N    )    1.0  158.0   15.0 2
assign (resid   68 and name C    ) (resid   69 and name N    )       (resid   69 and name CA   ) (resid   69 and name C    )    1.0 -122.0   18.0 2
assign (resid   69 and name N    ) (resid   69 and name CA   )       (resid   69 and name C    ) (resid   70 and name N    )    1.0  143.0   12.0 2
assign (resid   69 and name C    ) (resid   70 and name N    )       (resid   70 and name CA   ) (resid   70 and name C    )    1.0 -143.0   14.0 2
assign (resid   70 and name N    ) (resid   70 and name CA   )       (resid   70 and name C    ) (resid   71 and name N    )    1.0  141.0   15.0 2
assign (resid   70 and name C    ) (resid   71 and name N    )       (resid   71 and name CA   ) (resid   71 and name C    )    1.0 -108.0   19.0 2
assign (resid   71 and name N    ) (resid   71 and name CA   )       (resid   71 and name C    ) (resid   72 and name N    )    1.0  131.0   13.0 2
assign (resid   71 and name C    ) (resid   72 and name N    )       (resid   72 and name CA   ) (resid   72 and name C    )    1.0 -126.0   18.0 2
assign (resid   72 and name N    ) (resid   72 and name CA   )       (resid   72 and name C    ) (resid   73 and name N    )    1.0  133.0   13.0 2
assign (resid   72 and name C    ) (resid   73 and name N    )       (resid   73 and name CA   ) (resid   73 and name C    )    1.0 -104.0   20.0 2
assign (resid   73 and name N    ) (resid   73 and name CA   )       (resid   73 and name C    ) (resid   74 and name N    )    1.0  122.0   15.0 2
assign (resid   73 and name C    ) (resid   74 and name N    )       (resid   74 and name CA   ) (resid   74 and name C    )    1.0  -73.0   10.0 2
assign (resid   74 and name N    ) (resid   74 and name CA   )       (resid   74 and name C    ) (resid   75 and name N    )    1.0  132.0   18.0 2
assign (resid   74 and name C    ) (resid   75 and name N    )       (resid   75 and name CA   ) (resid   75 and name C    )    1.0 -120.0   22.0 2
assign (resid   75 and name N    ) (resid   75 and name CA   )       (resid   75 and name C    ) (resid   76 and name N    )    1.0  161.0   12.0 2
assign (resid   77 and name C    ) (resid   78 and name N    )       (resid   78 and name CA   ) (resid   78 and name C    )    1.0  -96.0   26.0 2
assign (resid   78 and name N    ) (resid   78 and name CA   )       (resid   78 and name C    ) (resid   79 and name N    )    1.0  155.0   15.0 2
assign (resid   78 and name C    ) (resid   79 and name N    )       (resid   79 and name CA   ) (resid   79 and name C    )    1.0  -70.0   21.0 2
assign (resid   79 and name N    ) (resid   79 and name CA   )       (resid   79 and name C    ) (resid   80 and name N    )    1.0  -30.0   16.0 2
assign (resid   79 and name C    ) (resid   80 and name N    )       (resid   80 and name CA   ) (resid   80 and name C    )    1.0  -94.0   12.0 2
assign (resid   80 and name N    ) (resid   80 and name CA   )       (resid   80 and name C    ) (resid   81 and name N    )    1.0   -2.0   13.0 2
assign (resid   81 and name C    ) (resid   82 and name N    )       (resid   82 and name CA   ) (resid   82 and name C    )    1.0 -107.0   24.0 2
assign (resid   82 and name N    ) (resid   82 and name CA   )       (resid   82 and name C    ) (resid   83 and name N    )    1.0  130.0   18.0 2
assign (resid   86 and name C    ) (resid   87 and name N    )       (resid   87 and name CA   ) (resid   87 and name C    )    1.0 -132.0   13.0 2
assign (resid   87 and name N    ) (resid   87 and name CA   )       (resid   87 and name C    ) (resid   88 and name N    )    1.0  158.0   17.0 2
assign (resid   87 and name C    ) (resid   88 and name N    )       (resid   88 and name CA   ) (resid   88 and name C    )    1.0 -122.0   11.0 2
assign (resid   88 and name N    ) (resid   88 and name CA   )       (resid   88 and name C    ) (resid   89 and name N    )    1.0  126.0   14.0 2
assign (resid   88 and name C    ) (resid   89 and name N    )       (resid   89 and name CA   ) (resid   89 and name C    )    1.0 -109.0   16.0 2
assign (resid   89 and name N    ) (resid   89 and name CA   )       (resid   89 and name C    ) (resid   90 and name N    )    1.0  144.0   13.0 2
assign (resid   89 and name C    ) (resid   90 and name N    )       (resid   90 and name CA   ) (resid   90 and name C    )    1.0 -131.0   21.0 2
assign (resid   90 and name N    ) (resid   90 and name CA   )       (resid   90 and name C    ) (resid   91 and name N    )    1.0  151.0   20.0 2
assign (resid   94 and name C    ) (resid   95 and name N    )       (resid   95 and name CA   ) (resid   95 and name C    )    1.0 -101.0   11.0 2
assign (resid   95 and name N    ) (resid   95 and name CA   )       (resid   95 and name C    ) (resid   96 and name N    )    1.0   -7.0   12.0 2
assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 7    and name N   )
       ( resid 7    and name HN   )  6.66  1.5

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 8    and name N   )
       ( resid 8    and name HN   )  5.086  1.5

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 9    and name N   )
       ( resid 9    and name HN   )  3.12  1.5

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 10    and name N   )
       ( resid 10    and name HN   )  3.704  1.5

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 11    and name N   )
       ( resid 11    and name HN   )  -1.254  1.5

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 12    and name N   )
       ( resid 12    and name HN   )  3.038  1.5

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 13    and name N   )
       ( resid 13    and name HN   )  15.388  1.5

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 14    and name N   )
       ( resid 14    and name HN   )  14.204  1.5

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 15    and name N   )
       ( resid 15    and name HN   )  15.69  1.5

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 16    and name N   )
       ( resid 16    and name HN   )  4.922  1.5

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 17    and name N   )
       ( resid 17    and name HN   )  3.742  1.5

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 18    and name N   )
       ( resid 18    and name HN   )  -7.322  1.5

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 21    and name N   )
       ( resid 21    and name HN   )  -17.254  1.5

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 22    and name N   )
       ( resid 22    and name HN   )  -3.726  1.5

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 23    and name N   )
       ( resid 23    and name HN   )  -1.24  1.5

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 25    and name N   )
       ( resid 25    and name HN   )  -5.176  1.5

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 26    and name N   )
       ( resid 26    and name HN   )  -0.07  1.5

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 27    and name N   )
       ( resid 27    and name HN   )  4.12  1.5

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 28    and name N   )
       ( resid 28    and name HN   )  -17.83  1.5

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 30    and name N   )
       ( resid 30    and name HN   )  3.962  1.5

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 31    and name N   )
       ( resid 31    and name HN   )  0.994  1.5

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 34    and name N   )
       ( resid 34    and name HN   )  11.538  1.5

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 40    and name N   )
       ( resid 40    and name HN   )  -2.078  1.5

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 41    and name N   )
       ( resid 41    and name HN   )  -7.632  1.5

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 42    and name N   )
       ( resid 42    and name HN   )  -13.66  1.5

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 44    and name N   )
       ( resid 44    and name HN   )  -6.286  1.5

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 45    and name N   )
       ( resid 45    and name HN   )  -14.09  1.5

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 47    and name N   )
       ( resid 47    and name HN   )  -12.578  1.5

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 48    and name N   )
       ( resid 48    and name HN   )  -13.884  1.5

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 50    and name N   )
       ( resid 50    and name HN   )  -15.04  1.5

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 51    and name N   )
       ( resid 51    and name HN   )  6.73  1.5

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 52    and name N   )
       ( resid 52    and name HN   )  3.398  1.5

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 53    and name N   )
       ( resid 53    and name HN   )  -0.406  1.5

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 54    and name N   )
       ( resid 54    and name HN   )  3.168  1.5

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 55    and name N   )
       ( resid 55    and name HN   )  6.064  1.5

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 56    and name N   )
       ( resid 56    and name HN   )  13.868  1.5

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 57    and name N   )
       ( resid 57    and name HN   )  13.09  1.5

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 58    and name N   )
       ( resid 58    and name HN   )  11.778  1.5

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 59    and name N   )
       ( resid 59    and name HN   )  2.078  1.5

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 60    and name N   )
       ( resid 60    and name HN   )  7.584  1.5

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 61    and name N   )
       ( resid 61    and name HN   )  5.326  1.5

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 62    and name N   )
       ( resid 62    and name HN   )  5.02  1.5

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 63    and name N   )
       ( resid 63    and name HN   )  3.752  1.5

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 64    and name N   )
       ( resid 64    and name HN   )  5.678  1.5

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 65    and name N   )
       ( resid 65    and name HN   )  7.676  1.5

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 66    and name N   )
       ( resid 66    and name HN   )  4.368  1.5

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 67    and name N   )
       ( resid 67    and name HN   )  -5.636  1.5

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 68    and name N   )
       ( resid 68    and name HN   )  4.658  1.5

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 69    and name N   )
       ( resid 69    and name HN   )  7.856  1.5

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 70    and name N   )
       ( resid 70    and name HN   )  4.898  1.5

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 71    and name N   )
       ( resid 71    and name HN   )  7.992  1.5

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 72    and name N   )
       ( resid 72    and name HN   )  6.726  1.5

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 73    and name N   )
       ( resid 73    and name HN   )  12.14  1.5

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 74    and name N   )
       ( resid 74    and name HN   )  14.52  1.5

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 75    and name N   )
       ( resid 75    and name HN   )  -15.182  1.5

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 76    and name N   )
       ( resid 76    and name HN   )  -9.238  1.5

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 77    and name N   )
       ( resid 77    and name HN   )  14.144  1.5

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 78    and name N   )
       ( resid 78    and name HN   )  8.952  1.5

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 79    and name N   )
       ( resid 79    and name HN   )  2.698  1.5

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 80    and name N   )
       ( resid 80    and name HN   )  -12.908  1.5

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 81    and name N   )
       ( resid 81    and name HN   )  13.68  1.5

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 84    and name N   )
       ( resid 84    and name HN   )  -10.672  1.5

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 86    and name N   )
       ( resid 86    and name HN   )  9.194  1.5

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 87    and name N   )
       ( resid 87    and name HN   )  13.932  1.5

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 88    and name N   )
       ( resid 88    and name HN   )  8.324  1.5

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 89    and name N   )
       ( resid 89    and name HN   )  1.214  1.5

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 90    and name N   )
       ( resid 90    and name HN   )  2.644  1.5

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 91    and name N   )
       ( resid 91    and name HN   )  9.526  1.5

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 92    and name N   )
       ( resid 92    and name HN   )  5.846  1.5

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 93    and name N   )
       ( resid 93    and name HN   )  -1.106  1.5

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 94    and name N   )
       ( resid 94    and name HN   )  -0.772  1.5


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   MET   1           1H       MET   1  -7.605  12.226  27.494
    2    H2   MET   1           2H       MET   1  -7.838  13.730  28.250
    3    H3   MET   1           3H       MET   1  -6.288  13.266  27.734
    4    HA   MET   1           HA       MET   1  -8.613  13.772  25.961
    5    HB2  MET   1           1HB      MET   1  -7.224  15.767  25.249
    6    HB3  MET   1           2HB      MET   1  -7.820  15.868  26.904
    7    HG2  MET   1           1HG      MET   1  -5.648  15.097  27.762
    8    HG3  MET   1           2HG      MET   1  -5.039  14.932  26.115
    9    HE1  MET   1           3HE      MET   1  -3.032  17.957  27.310
   10    HE2  MET   1           1HE      MET   1  -3.031  16.324  26.628
   11    HE3  MET   1           2HE      MET   1  -3.532  16.585  28.296
   12    H    VAL   2           H        VAL   2  -6.024  11.835  26.484
   13    HA   VAL   2           HA       VAL   2  -4.664  11.943  23.947
   14    HB   VAL   2           HB       VAL   2  -4.744   9.644  25.947
   15   HG11  VAL   2          1HG1      VAL   2  -3.762   9.060  23.759
   16   HG12  VAL   2          2HG1      VAL   2  -2.505   9.135  24.989
   17   HG13  VAL   2          3HG1      VAL   2  -2.702  10.464  23.847
   18   HG21  VAL   2          3HG2      VAL   2  -2.904  12.063  25.824
   19   HG22  VAL   2          1HG2      VAL   2  -2.699  10.685  26.905
   20   HG23  VAL   2          2HG2      VAL   2  -4.099  11.737  27.080
   21    H    LYS   3           H        LYS   3  -6.150  11.763  22.288
   22    HA   LYS   3           HA       LYS   3  -8.055   9.530  22.176
   23    HB2  LYS   3           1HB      LYS   3  -7.428  11.785  20.235
   24    HB3  LYS   3           2HB      LYS   3  -8.712  10.596  20.013
   25    HG2  LYS   3           1HG      LYS   3  -9.757  11.329  22.133
   26    HG3  LYS   3           2HG      LYS   3  -8.481  12.529  22.345
   27    HD2  LYS   3           1HD      LYS   3  -9.153  13.639  20.249
   28    HD3  LYS   3           2HD      LYS   3 -10.415  12.431  20.003
   29    HE2  LYS   3           1HE      LYS   3 -11.353  14.485  20.994
   30    HE3  LYS   3           2HE      LYS   3 -11.498  13.131  22.114
   31    HZ1  LYS   3           3HZ      LYS   3 -10.281  15.559  22.588
   32    HZ2  LYS   3           1HZ      LYS   3  -9.008  14.449  22.439
   33    HZ3  LYS   3           2HZ      LYS   3 -10.237  14.181  23.581
   34    H    VAL   4           H        VAL   4  -5.893   8.176  22.346
   35    HA   VAL   4           HA       VAL   4  -4.289   7.869  20.009
   36    HB   VAL   4           HB       VAL   4  -3.570   7.138  22.256
   37   HG11  VAL   4          1HG1      VAL   4  -4.485   5.149  23.316
   38   HG12  VAL   4          2HG1      VAL   4  -5.575   4.867  21.962
   39   HG13  VAL   4          3HG1      VAL   4  -5.810   6.270  23.004
   40   HG21  VAL   4          3HG2      VAL   4  -2.570   6.117  20.199
   41   HG22  VAL   4          1HG2      VAL   4  -3.739   4.799  20.314
   42   HG23  VAL   4          2HG2      VAL   4  -2.539   5.026  21.583
   43    H    THR   5           H        THR   5  -4.542   6.590  18.238
   44    HA   THR   5           HA       THR   5  -7.167   5.263  17.832
   45    HB   THR   5           HB       THR   5  -6.616   5.378  15.458
   46    HG1  THR   5           HG1      THR   5  -4.566   5.273  15.065
   47   HG21  THR   5          3HG2      THR   5  -6.510   7.816  15.181
   48   HG22  THR   5          1HG2      THR   5  -5.933   7.996  16.836
   49   HG23  THR   5          2HG2      THR   5  -7.569   7.411  16.532
   50    H    TYR   6           H        TYR   6  -7.168   3.183  16.714
   51    HA   TYR   6           HA       TYR   6  -4.810   1.579  16.484
   52    HB2  TYR   6           1HB      TYR   6  -5.022   1.604  18.965
   53    HB3  TYR   6           2HB      TYR   6  -6.649   0.954  18.825
   54    HD1  TYR   6           HD1      TYR   6  -3.109   0.289  17.791
   55    HD2  TYR   6           HD2      TYR   6  -6.917  -1.454  18.756
   56    HE1  TYR   6           HE1      TYR   6  -2.116  -1.973  17.630
   57    HE2  TYR   6           HE2      TYR   6  -5.922  -3.715  18.594
   58    HH   TYR   6           HH       TYR   6  -2.472  -4.156  17.798
   59    H    ASP   7           H        ASP   7  -6.538   2.069  14.587
   60    HA   ASP   7           HA       ASP   7  -7.837  -0.515  14.085
   61    HB2  ASP   7           1HB      ASP   7  -9.597   0.893  15.151
   62    HB3  ASP   7           2HB      ASP   7  -9.370   2.104  13.894
   63    H    GLY   8           H        GLY   8  -6.024  -0.614  12.622
   64    HA2  GLY   8           1HA      GLY   8  -5.863   1.228  10.363
   65    HA3  GLY   8           2HA      GLY   8  -4.865  -0.198  10.661
   66    H    VAL   9           H        VAL   9  -5.106  -0.973   8.564
   67    HA   VAL   9           HA       VAL   9  -7.742  -2.230   7.946
   68    HB   VAL   9           HB       VAL   9  -7.340  -0.293   6.460
   69   HG11  VAL   9          1HG1      VAL   9  -5.479  -0.220   4.904
   70   HG12  VAL   9          2HG1      VAL   9  -4.881  -1.777   5.465
   71   HG13  VAL   9          3HG1      VAL   9  -4.832  -0.377   6.536
   72   HG21  VAL   9          3HG2      VAL   9  -7.052  -2.975   5.052
   73   HG22  VAL   9          1HG2      VAL   9  -7.637  -1.487   4.320
   74   HG23  VAL   9          2HG2      VAL   9  -8.564  -2.260   5.602
   75    H    TYR  10           H        TYR  10  -7.618  -4.370   7.518
   76    HA   TYR  10           HA       TYR  10  -5.002  -5.690   7.742
   77    HB2  TYR  10           1HB      TYR  10  -7.585  -7.212   7.312
   78    HB3  TYR  10           2HB      TYR  10  -6.209  -7.628   8.324
   79    HD1  TYR  10           HD2      TYR  10  -5.808  -5.257  10.003
   80    HD2  TYR  10           HD1      TYR  10  -9.486  -7.093   8.750
   81    HE1  TYR  10           HE2      TYR  10  -6.946  -4.339  11.997
   82    HE2  TYR  10           HE1      TYR  10 -10.620  -6.179  10.747
   83    HH   TYR  10           HH       TYR  10  -9.652  -3.758  12.473
   84    H    VAL  11           H        VAL  11  -4.178  -7.111   6.183
   85    HA   VAL  11           HA       VAL  11  -5.027  -6.592   3.380
   86    HB   VAL  11           HB       VAL  11  -2.484  -7.876   4.437
   87   HG11  VAL  11          1HG1      VAL  11  -3.296  -6.937   1.657
   88   HG12  VAL  11          2HG1      VAL  11  -2.985  -8.603   2.144
   89   HG13  VAL  11          3HG1      VAL  11  -1.667  -7.441   2.102
   90   HG21  VAL  11          3HG2      VAL  11  -2.998  -5.070   3.394
   91   HG22  VAL  11          1HG2      VAL  11  -1.424  -5.720   3.851
   92   HG23  VAL  11          2HG2      VAL  11  -2.673  -5.493   5.074
   93    H    LEU  12           H        LEU  12  -6.048  -8.154   2.234
   94    HA   LEU  12           HA       LEU  12  -6.762 -10.663   3.466
   95    HB2  LEU  12           1HB      LEU  12  -8.229  -9.252   1.927
   96    HB3  LEU  12           2HB      LEU  12  -7.209  -9.781   0.603
   97    HG   LEU  12           HG       LEU  12  -7.793 -12.244   1.533
   98   HD11  LEU  12          1HD1      LEU  12  -9.037 -11.394   3.537
   99   HD12  LEU  12          2HD1      LEU  12 -10.035 -12.403   2.499
  100   HD13  LEU  12          3HD1      LEU  12 -10.216 -10.649   2.460
  101   HD21  LEU  12          3HD2      LEU  12  -9.801 -10.568  -0.022
  102   HD22  LEU  12          1HD2      LEU  12  -9.766 -12.332   0.020
  103   HD23  LEU  12          2HD2      LEU  12  -8.433 -11.442  -0.710
  104    H    SER  13           H        SER  13  -4.627  -9.616   0.862
  105    HA   SER  13           HA       SER  13  -2.934 -11.945   1.091
  106    HB2  SER  13           1HB      SER  13  -4.795 -12.954  -0.151
  107    HB3  SER  13           2HB      SER  13  -4.682 -11.689  -1.371
  108    HG   SER  13           HG       SER  13  -2.293 -12.910  -0.845
  109    H    VAL  14           H        VAL  14  -1.155 -11.952  -0.403
  110    HA   VAL  14           HA       VAL  14  -0.594  -9.392  -1.801
  111    HB   VAL  14           HB       VAL  14   1.355 -10.875   0.005
  112   HG11  VAL  14          1HG1      VAL  14   2.776  -8.849  -0.361
  113   HG12  VAL  14          2HG1      VAL  14   1.581  -8.245  -1.510
  114   HG13  VAL  14          3HG1      VAL  14   2.478  -9.720  -1.863
  115   HG21  VAL  14          3HG2      VAL  14  -0.120  -8.247   0.402
  116   HG22  VAL  14          1HG2      VAL  14   1.128  -8.879   1.473
  117   HG23  VAL  14          2HG2      VAL  14  -0.402  -9.735   1.307
  118    H    LYS  15           H        LYS  15  -0.317  -9.905  -3.889
  119    HA   LYS  15           HA       LYS  15   0.343 -12.563  -4.795
  120    HB2  LYS  15           1HB      LYS  15   0.359  -9.956  -6.368
  121    HB3  LYS  15           2HB      LYS  15   0.206 -11.582  -7.024
  122    HG2  LYS  15           1HG      LYS  15  -1.826 -10.201  -5.223
  123    HG3  LYS  15           2HG      LYS  15  -1.975 -10.401  -6.966
  124    HD2  LYS  15           1HD      LYS  15  -1.933 -12.889  -6.642
  125    HD3  LYS  15           2HD      LYS  15  -1.917 -12.634  -4.901
  126    HE2  LYS  15           1HE      LYS  15  -4.062 -11.451  -5.019
  127    HE3  LYS  15           2HE      LYS  15  -4.097 -11.680  -6.769
  128    HZ1  LYS  15           3HZ      LYS  15  -5.095 -13.607  -6.355
  129    HZ2  LYS  15           1HZ      LYS  15  -4.771 -13.517  -4.694
  130    HZ3  LYS  15           2HZ      LYS  15  -3.612 -14.171  -5.748
  131    H    GLU  16           H        GLU  16   2.337 -13.289  -4.300
  132    HA   GLU  16           HA       GLU  16   4.661 -11.711  -3.983
  133    HB2  GLU  16           1HB      GLU  16   4.371 -14.674  -4.551
  134    HB3  GLU  16           2HB      GLU  16   5.838 -13.893  -3.962
  135    HG2  GLU  16           1HG      GLU  16   4.635 -13.148  -1.937
  136    HG3  GLU  16           2HG      GLU  16   3.163 -13.919  -2.523
  137    H    ASP  17           H        ASP  17   4.118 -10.546  -6.155
  138    HA   ASP  17           HA       ASP  17   6.198 -11.025  -7.987
  139    HB2  ASP  17           1HB      ASP  17   4.681 -12.900  -8.720
  140    HB3  ASP  17           2HB      ASP  17   3.414 -11.719  -9.028
  141    H    VAL  18           H        VAL  18   5.389  -8.876  -6.498
  142    HA   VAL  18           HA       VAL  18   4.683  -6.849  -8.516
  143    HB   VAL  18           HB       VAL  18   2.879  -5.883  -7.140
  144   HG11  VAL  18          1HG1      VAL  18   2.348  -7.722  -8.810
  145   HG12  VAL  18          2HG1      VAL  18   1.150  -7.492  -7.541
  146   HG13  VAL  18          3HG1      VAL  18   2.277  -8.839  -7.446
  147   HG21  VAL  18          3HG2      VAL  18   3.562  -6.424  -4.893
  148   HG22  VAL  18          1HG2      VAL  18   3.549  -8.149  -5.227
  149   HG23  VAL  18          2HG2      VAL  18   2.031  -7.255  -5.139
  150    HA   PRO  19           HA       PRO  19   7.699  -4.305  -6.350
  151    HB2  PRO  19           1HB      PRO  19   5.525  -2.250  -5.879
  152    HB3  PRO  19           2HB      PRO  19   7.171  -2.012  -6.501
  153    HG2  PRO  19           1HG      PRO  19   5.102  -1.995  -8.162
  154    HG3  PRO  19           2HG      PRO  19   6.630  -2.772  -8.635
  155    HD2  PRO  19           1HD      PRO  19   4.042  -4.057  -7.816
  156    HD3  PRO  19           2HD      PRO  19   5.269  -4.639  -8.957
  157    H    ALA  20           H        ALA  20   4.517  -4.656  -4.805
  158    HA   ALA  20           HA       ALA  20   5.275  -3.943  -2.165
  159    HB1  ALA  20           3HB      ALA  20   3.104  -4.552  -1.555
  160    HB2  ALA  20           1HB      ALA  20   3.103  -6.006  -2.557
  161    HB3  ALA  20           2HB      ALA  20   2.893  -4.431  -3.292
  162    H    ALA  21           H        ALA  21   5.851  -6.828  -4.006
  163    HA   ALA  21           HA       ALA  21   6.082  -8.705  -1.927
  164    HB1  ALA  21           3HB      ALA  21   7.354 -10.029  -3.552
  165    HB2  ALA  21           1HB      ALA  21   7.539  -8.609  -4.585
  166    HB3  ALA  21           2HB      ALA  21   5.940  -9.302  -4.316
  167    H    GLY  22           H        GLY  22   7.522  -8.866  -0.363
  168    HA2  GLY  22           1HA      GLY  22   9.690  -9.051   0.562
  169    HA3  GLY  22           2HA      GLY  22  10.332  -8.026  -0.716
  170    H    ILE  23           H        ILE  23   7.678  -6.391   0.074
  171    HA   ILE  23           HA       ILE  23   8.995  -4.759   2.210
  172    HB   ILE  23           HB       ILE  23   7.048  -3.892   0.041
  173   HG12  ILE  23          1HG1      ILE  23  10.050  -3.385   0.272
  174   HG13  ILE  23          2HG1      ILE  23   9.338  -4.575  -0.809
  175   HG21  ILE  23          1HG2      ILE  23   8.677  -2.287   2.052
  176   HG22  ILE  23          2HG2      ILE  23   6.927  -2.492   2.091
  177   HG23  ILE  23          3HG2      ILE  23   7.673  -1.596   0.781
  178   HD11  ILE  23          3HD1      ILE  23   9.764  -2.584  -2.087
  179   HD12  ILE  23          1HD1      ILE  23   8.928  -1.586  -0.899
  180   HD13  ILE  23          2HD1      ILE  23   8.020  -2.737  -1.888
  181    H    LEU  24           H        LEU  24   5.804  -5.676   0.891
  182    HA   LEU  24           HA       LEU  24   4.594  -5.448   3.607
  183    HB2  LEU  24           1HB      LEU  24   3.437  -5.041   0.833
  184    HB3  LEU  24           2HB      LEU  24   2.402  -5.249   2.240
  185    HG   LEU  24           HG       LEU  24   4.532  -3.053   2.148
  186   HD11  LEU  24          1HD1      LEU  24   2.742  -1.486   1.449
  187   HD12  LEU  24          2HD1      LEU  24   1.623  -2.842   1.286
  188   HD13  LEU  24          3HD1      LEU  24   3.022  -2.718   0.219
  189   HD21  LEU  24          3HD2      LEU  24   1.950  -3.371   3.754
  190   HD22  LEU  24          1HD2      LEU  24   3.014  -1.968   3.826
  191   HD23  LEU  24          2HD2      LEU  24   3.577  -3.526   4.404
  192    H    HIS  25           H        HIS  25   3.251  -7.076   4.302
  193    HA   HIS  25           HA       HIS  25   3.096  -9.602   2.749
  194    HB2  HIS  25           1HB      HIS  25   5.089  -9.714   4.261
  195    HB3  HIS  25           2HB      HIS  25   4.039  -9.405   5.641
  196    HD1  HIS  25           HD1      HIS  25   4.090 -11.861   2.709
  197    HD2  HIS  25           HD2      HIS  25   3.197 -11.789   6.781
  198    HE1  HIS  25           HE1      HIS  25   3.414 -14.214   3.336
  199    HE2  HIS  25           HE2      HIS  25   2.865 -14.196   5.814
  200    H    ALA  26           H        ALA  26   1.427 -10.988   3.429
  201    HA   ALA  26           HA       ALA  26  -0.994  -9.776   4.104
  202    HB1  ALA  26           3HB      ALA  26  -1.850 -12.071   4.362
  203    HB2  ALA  26           1HB      ALA  26  -0.196 -12.680   4.406
  204    HB3  ALA  26           2HB      ALA  26  -0.820 -11.931   2.937
  205    H    GLY  27           H        GLY  27  -2.116  -9.480   5.990
  206    HA2  GLY  27           1HA      GLY  27  -2.661  -9.782   8.270
  207    HA3  GLY  27           2HA      GLY  27  -1.100 -10.543   8.554
  208    H    ASP  28           H        ASP  28  -0.295  -7.965   6.724
  209    HA   ASP  28           HA       ASP  28   0.677  -6.414   8.956
  210    HB2  ASP  28           1HB      ASP  28   1.918  -6.650   6.804
  211    HB3  ASP  28           2HB      ASP  28   0.649  -5.741   5.991
  212    H    LEU  29           H        LEU  29   0.054  -4.248   9.490
  213    HA   LEU  29           HA       LEU  29  -2.646  -3.411   8.540
  214    HB2  LEU  29           1HB      LEU  29  -1.452  -2.962  11.304
  215    HB3  LEU  29           2HB      LEU  29  -3.046  -2.450  10.745
  216    HG   LEU  29           HG       LEU  29  -3.387  -5.062  10.251
  217   HD11  LEU  29          1HD1      LEU  29  -2.266  -6.507  11.919
  218   HD12  LEU  29          2HD1      LEU  29  -1.318  -5.132  12.485
  219   HD13  LEU  29          3HD1      LEU  29  -1.073  -5.765  10.865
  220   HD21  LEU  29          3HD2      LEU  29  -4.395  -5.342  12.468
  221   HD22  LEU  29          1HD2      LEU  29  -4.691  -3.708  11.885
  222   HD23  LEU  29          2HD2      LEU  29  -3.450  -3.990  13.098
  223    H    ILE  30           H        ILE  30  -2.552  -1.557   7.380
  224    HA   ILE  30           HA       ILE  30  -0.234   0.204   7.609
  225    HB   ILE  30           HB       ILE  30  -2.644   0.380   5.765
  226   HG12  ILE  30          1HG1      ILE  30   0.119  -0.809   5.252
  227   HG13  ILE  30          2HG1      ILE  30  -1.332  -1.765   5.518
  228   HG21  ILE  30          1HG2      ILE  30  -1.413   2.504   6.002
  229   HG22  ILE  30          2HG2      ILE  30  -1.109   1.813   4.416
  230   HG23  ILE  30          3HG2      ILE  30   0.106   1.676   5.676
  231   HD11  ILE  30          3HD1      ILE  30  -0.825   0.139   3.227
  232   HD12  ILE  30          1HD1      ILE  30  -2.370  -0.660   3.530
  233   HD13  ILE  30          2HD1      ILE  30  -0.938  -1.617   3.151
  234    H    THR  31           H        THR  31  -0.282   2.168   8.599
  235    HA   THR  31           HA       THR  31  -2.697   2.871  10.163
  236    HB   THR  31           HB       THR  31  -1.185   4.276  11.456
  237    HG1  THR  31           HG1      THR  31   0.108   4.907   9.672
  238   HG21  THR  31          3HG2      THR  31   0.338   2.552  12.312
  239   HG22  THR  31          1HG2      THR  31   0.100   1.592  10.854
  240   HG23  THR  31          2HG2      THR  31  -1.241   1.847  11.971
  241    H    GLU  32           H        GLU  32  -0.279   4.448   8.041
  242    HA   GLU  32           HA       GLU  32  -2.319   6.250   7.004
  243    HB2  GLU  32           1HB      GLU  32  -1.468   7.227   9.183
  244    HB3  GLU  32           2HB      GLU  32   0.113   7.342   8.435
  245    HG2  GLU  32           1HG      GLU  32  -1.019   9.493   8.318
  246    HG3  GLU  32           2HG      GLU  32  -0.822   8.844   6.699
  247    H    ILE  33           H        ILE  33  -1.563   7.566   5.197
  248    HA   ILE  33           HA       ILE  33   0.974   6.688   3.927
  249    HB   ILE  33           HB       ILE  33  -1.710   6.859   2.484
  250   HG12  ILE  33          1HG1      ILE  33  -0.952   4.216   2.185
  251   HG13  ILE  33          2HG1      ILE  33  -0.273   4.515   3.778
  252   HG21  ILE  33          1HG2      ILE  33   1.034   5.973   1.545
  253   HG22  ILE  33          2HG2      ILE  33   0.214   7.464   1.082
  254   HG23  ILE  33          3HG2      ILE  33  -0.439   5.918   0.597
  255   HD11  ILE  33          3HD1      ILE  33  -3.171   5.044   3.026
  256   HD12  ILE  33          1HD1      ILE  33  -2.474   5.131   4.639
  257   HD13  ILE  33          2HD1      ILE  33  -2.601   3.586   3.807
  258    H    ASP  34           H        ASP  34   2.113   8.463   3.183
  259    HA   ASP  34           HA       ASP  34   2.641  10.692   3.014
  260    HB2  ASP  34           1HB      ASP  34   0.232  10.428   1.195
  261    HB3  ASP  34           2HB      ASP  34   1.381  11.766   1.134
  262    H    GLY  35           H        GLY  35   0.535  10.066   5.161
  263    HA2  GLY  35           1HA      GLY  35  -0.528  11.322   6.777
  264    HA3  GLY  35           2HA      GLY  35   0.128  12.764   6.016
  265    H    GLN  36           H        GLN  36  -1.505  10.924   3.736
  266    HA   GLN  36           HA       GLN  36  -3.754  12.807   3.664
  267    HB2  GLN  36           1HB      GLN  36  -2.990  10.529   1.806
  268    HB3  GLN  36           2HB      GLN  36  -4.262  11.711   1.505
  269    HG2  GLN  36           1HG      GLN  36  -1.326  12.398   1.889
  270    HG3  GLN  36           2HG      GLN  36  -2.121  12.282   0.332
  271   HE21  GLN  36          2HE2      GLN  36  -1.060  14.579   2.388
  272   HE22  GLN  36          1HE2      GLN  36  -2.229  15.782   2.132
  273    H    SER  37           H        SER  37  -5.791  12.365   4.223
  274    HA   SER  37           HA       SER  37  -6.820   9.656   4.541
  275    HB2  SER  37           1HB      SER  37  -5.739  10.028   6.724
  276    HB3  SER  37           2HB      SER  37  -6.594  11.558   6.898
  277    HG   SER  37           HG       SER  37  -7.818  10.078   7.956
  278    H    PHE  38           H        PHE  38  -9.113   9.664   4.872
  279    HA   PHE  38           HA       PHE  38 -10.574  12.198   4.570
  280    HB2  PHE  38           1HB      PHE  38 -10.816   9.939   2.548
  281    HB3  PHE  38           2HB      PHE  38 -11.752  11.428   2.564
  282    HD1  PHE  38           HD2      PHE  38 -10.627  13.639   2.176
  283    HD2  PHE  38           HD1      PHE  38  -8.512   9.930   1.708
  284    HE1  PHE  38           HE2      PHE  38  -8.836  14.817   0.935
  285    HE2  PHE  38           HE1      PHE  38  -6.722  11.107   0.466
  286    HZ   PHE  38           HZ       PHE  38  -6.881  13.552   0.078
  287    H    LYS  39           H        LYS  39 -10.439   8.767   5.267
  288    HA   LYS  39           HA       LYS  39 -12.589   8.960   7.144
  289    HB2  LYS  39           1HB      LYS  39 -13.874   8.869   4.981
  290    HB3  LYS  39           2HB      LYS  39 -13.178   7.288   4.671
  291    HG2  LYS  39           1HG      LYS  39 -14.203   6.447   6.793
  292    HG3  LYS  39           2HG      LYS  39 -14.887   8.040   7.069
  293    HD2  LYS  39           1HD      LYS  39 -16.176   7.853   4.970
  294    HD3  LYS  39           2HD      LYS  39 -15.486   6.256   4.688
  295    HE2  LYS  39           1HE      LYS  39 -16.492   5.447   6.802
  296    HE3  LYS  39           2HE      LYS  39 -17.188   7.043   7.078
  297    HZ1  LYS  39           3HZ      LYS  39 -18.138   4.929   5.441
  298    HZ2  LYS  39           1HZ      LYS  39 -17.931   6.340   4.524
  299    HZ3  LYS  39           2HZ      LYS  39 -18.920   6.363   5.905
  300    H    SER  40           H        SER  40 -12.560   5.896   5.638
  301    HA   SER  40           HA       SER  40 -10.779   4.751   7.733
  302    HB2  SER  40           1HB      SER  40 -13.013   3.407   6.163
  303    HB3  SER  40           2HB      SER  40 -12.165   2.762   7.568
  304    HG   SER  40           HG       SER  40 -13.199   4.177   8.844
  305    H    SER  41           H        SER  41 -11.060   2.172   6.135
  306    HA   SER  41           HA       SER  41  -8.576   2.177   4.836
  307    HB2  SER  41           1HB      SER  41  -9.510   0.046   5.413
  308    HB3  SER  41           2HB      SER  41 -11.002   0.392   4.549
  309    HG   SER  41           HG       SER  41 -10.065  -0.109   2.712
  310    H    GLN  42           H        GLN  42 -11.831   2.720   3.527
  311    HA   GLN  42           HA       GLN  42 -11.287   2.754   0.798
  312    HB2  GLN  42           1HB      GLN  42 -13.239   4.444   2.393
  313    HB3  GLN  42           2HB      GLN  42 -13.268   4.291   0.636
  314    HG2  GLN  42           1HG      GLN  42 -13.601   1.860   0.836
  315    HG3  GLN  42           2HG      GLN  42 -13.548   1.985   2.594
  316   HE21  GLN  42          2HE2      GLN  42 -15.865   0.918   1.980
  317   HE22  GLN  42          1HE2      GLN  42 -17.139   2.036   1.891
  318    H    GLU  43           H        GLU  43 -10.530   5.132   3.253
  319    HA   GLU  43           HA       GLU  43 -10.113   7.383   1.619
  320    HB2  GLU  43           1HB      GLU  43  -9.214   8.393   3.520
  321    HB3  GLU  43           2HB      GLU  43 -10.040   7.048   4.285
  322    HG2  GLU  43           1HG      GLU  43  -7.777   5.785   4.127
  323    HG3  GLU  43           2HG      GLU  43  -7.059   7.324   3.692
  324    H    PHE  44           H        PHE  44  -8.064   4.590   2.304
  325    HA   PHE  44           HA       PHE  44  -5.691   5.669   1.179
  326    HB2  PHE  44           1HB      PHE  44  -5.645   3.777   2.716
  327    HB3  PHE  44           2HB      PHE  44  -6.576   2.807   1.603
  328    HD1  PHE  44           HD1      PHE  44  -3.716   5.088   0.655
  329    HD2  PHE  44           HD2      PHE  44  -4.994   1.020   1.191
  330    HE1  PHE  44           HE1      PHE  44  -1.700   4.309  -0.489
  331    HE2  PHE  44           HE2      PHE  44  -2.940   0.243   0.049
  332    HZ   PHE  44           HZ       PHE  44  -1.284   1.900  -0.764
  333    H    ILE  45           H        ILE  45  -8.219   3.492  -0.069
  334    HA   ILE  45           HA       ILE  45  -7.180   2.978  -2.586
  335    HB   ILE  45           HB       ILE  45 -10.050   3.214  -1.618
  336   HG12  ILE  45          1HG1      ILE  45 -10.028   0.752  -1.932
  337   HG13  ILE  45          2HG1      ILE  45  -8.375   0.832  -2.528
  338   HG21  ILE  45          1HG2      ILE  45 -10.279   3.754  -3.972
  339   HG22  ILE  45          2HG2      ILE  45 -10.643   2.038  -3.858
  340   HG23  ILE  45          3HG2      ILE  45  -9.057   2.564  -4.434
  341   HD11  ILE  45          3HD1      ILE  45  -8.750   0.181  -0.055
  342   HD12  ILE  45          1HD1      ILE  45  -9.093   1.880   0.213
  343   HD13  ILE  45          2HD1      ILE  45  -7.515   1.388  -0.396
  344    H    ASP  46           H        ASP  46  -8.732   5.833  -1.319
  345    HA   ASP  46           HA       ASP  46  -9.182   7.141  -3.848
  346    HB2  ASP  46           1HB      ASP  46  -8.935   8.386  -1.096
  347    HB3  ASP  46           2HB      ASP  46  -9.650   9.130  -2.520
  348    H    TYR  47           H        TYR  47  -6.506   7.171  -1.508
  349    HA   TYR  47           HA       TYR  47  -5.059   9.334  -2.684
  350    HB2  TYR  47           1HB      TYR  47  -4.578   8.616  -0.407
  351    HB3  TYR  47           2HB      TYR  47  -4.160   6.999  -0.960
  352    HD1  TYR  47           HD2      TYR  47  -3.122  10.571  -1.021
  353    HD2  TYR  47           HD1      TYR  47  -1.993   6.543  -1.990
  354    HE1  TYR  47           HE2      TYR  47  -0.817  11.341  -1.527
  355    HE2  TYR  47           HE1      TYR  47   0.296   7.314  -2.510
  356    HH   TYR  47           HH       TYR  47   1.338  10.602  -1.850
  357    H    ILE  48           H        ILE  48  -4.598   5.806  -2.926
  358    HA   ILE  48           HA       ILE  48  -2.492   5.921  -4.817
  359    HB   ILE  48           HB       ILE  48  -3.746   3.404  -5.286
  360   HG12  ILE  48          1HG1      ILE  48  -3.939   4.038  -2.314
  361   HG13  ILE  48          2HG1      ILE  48  -5.315   4.063  -3.404
  362   HG21  ILE  48          1HG2      ILE  48  -1.627   4.109  -3.211
  363   HG22  ILE  48          2HG2      ILE  48  -1.328   3.757  -4.909
  364   HG23  ILE  48          3HG2      ILE  48  -1.939   2.495  -3.849
  365   HD11  ILE  48          3HD1      ILE  48  -5.063   1.718  -3.910
  366   HD12  ILE  48          1HD1      ILE  48  -5.032   1.890  -2.157
  367   HD13  ILE  48          2HD1      ILE  48  -3.533   1.636  -3.040
  368    H    HIS  49           H        HIS  49  -5.921   6.190  -5.156
  369    HA   HIS  49           HA       HIS  49  -5.882   5.807  -8.073
  370    HB2  HIS  49           1HB      HIS  49  -7.734   4.933  -6.691
  371    HB3  HIS  49           2HB      HIS  49  -8.111   6.568  -6.161
  372    HD1  HIS  49           HD1      HIS  49  -9.125   8.200  -7.950
  373    HD2  HIS  49           HD2      HIS  49  -8.630   4.285  -9.294
  374    HE1  HIS  49           HE1      HIS  49 -10.466   7.998 -10.082
  375    HE2  HIS  49           HE2      HIS  49 -10.179   5.621 -10.923
  376    H    SER  50           H        SER  50  -5.760   8.439  -5.741
  377    HA   SER  50           HA       SER  50  -6.657  10.486  -7.588
  378    HB2  SER  50           1HB      SER  50  -5.434  10.544  -4.823
  379    HB3  SER  50           2HB      SER  50  -5.855  12.013  -5.708
  380    HG   SER  50           HG       SER  50  -7.436  10.484  -4.273
  381    H    LYS  51           H        LYS  51  -3.702   8.842  -7.079
  382    HA   LYS  51           HA       LYS  51  -2.039  11.049  -8.120
  383    HB2  LYS  51           1HB      LYS  51  -1.339   8.312  -7.014
  384    HB3  LYS  51           2HB      LYS  51  -0.145   9.453  -7.627
  385    HG2  LYS  51           1HG      LYS  51  -2.077  10.176  -5.377
  386    HG3  LYS  51           2HG      LYS  51  -0.505   9.449  -5.068
  387    HD2  LYS  51           1HD      LYS  51   0.615  11.355  -6.193
  388    HD3  LYS  51           2HD      LYS  51  -0.943  12.106  -6.501
  389    HE2  LYS  51           1HE      LYS  51   0.168  11.477  -3.768
  390    HE3  LYS  51           2HE      LYS  51   0.096  13.073  -4.501
  391    HZ1  LYS  51           3HZ      LYS  51  -1.918  13.228  -3.607
  392    HZ2  LYS  51           1HZ      LYS  51  -1.968  11.580  -3.207
  393    HZ3  LYS  51           2HZ      LYS  51  -2.435  12.092  -4.758
  394    H    LYS  52           H        LYS  52  -0.137   9.742  -9.508
  395    HA   LYS  52           HA       LYS  52  -1.522   8.476 -11.816
  396    HB2  LYS  52           1HB      LYS  52   0.483  10.745 -11.793
  397    HB3  LYS  52           2HB      LYS  52   0.069   9.865 -13.255
  398    HG2  LYS  52           1HG      LYS  52  -2.300  10.945 -11.728
  399    HG3  LYS  52           2HG      LYS  52  -1.243  12.170 -12.403
  400    HD2  LYS  52           1HD      LYS  52  -3.039  11.651 -13.979
  401    HD3  LYS  52           2HD      LYS  52  -1.494  11.146 -14.656
  402    HE2  LYS  52           1HE      LYS  52  -1.962   8.820 -14.147
  403    HE3  LYS  52           2HE      LYS  52  -3.385   9.261 -13.198
  404    HZ1  LYS  52           3HZ      LYS  52  -4.537   9.903 -15.107
  405    HZ2  LYS  52           1HZ      LYS  52  -3.754   8.469 -15.563
  406    HZ3  LYS  52           2HZ      LYS  52  -3.131   9.970 -16.058
  407    H    VAL  53           H        VAL  53  -0.128   7.250 -13.190
  408    HA   VAL  53           HA       VAL  53   1.609   5.493 -11.800
  409    HB   VAL  53           HB       VAL  53   1.436   5.896 -14.812
  410   HG11  VAL  53          1HG1      VAL  53   2.181   3.490 -13.106
  411   HG12  VAL  53          2HG1      VAL  53   3.293   4.439 -14.091
  412   HG13  VAL  53          3HG1      VAL  53   2.034   3.481 -14.864
  413   HG21  VAL  53          3HG2      VAL  53  -0.822   5.617 -13.892
  414   HG22  VAL  53          1HG2      VAL  53  -0.295   4.222 -12.949
  415   HG23  VAL  53          2HG2      VAL  53  -0.338   4.135 -14.710
  416    H    GLY  54           H        GLY  54   3.813   5.361 -11.670
  417    HA2  GLY  54           1HA      GLY  54   6.063   5.864 -12.191
  418    HA3  GLY  54           2HA      GLY  54   5.549   7.279 -13.105
  419    H    ASP  55           H        ASP  55   3.710   7.655 -10.554
  420    HA   ASP  55           HA       ASP  55   5.322   9.666  -9.312
  421    HB2  ASP  55           1HB      ASP  55   2.721   8.355  -8.430
  422    HB3  ASP  55           2HB      ASP  55   3.417   9.793  -7.686
  423    H    THR  56           H        THR  56   4.866   9.336  -6.597
  424    HA   THR  56           HA       THR  56   6.126   6.792  -5.772
  425    HB   THR  56           HB       THR  56   7.765   8.003  -4.402
  426    HG1  THR  56           HG1      THR  56   6.170  10.066  -5.096
  427   HG21  THR  56          3HG2      THR  56   9.236   8.782  -6.181
  428   HG22  THR  56          1HG2      THR  56   7.867   9.010  -7.266
  429   HG23  THR  56          2HG2      THR  56   8.344   7.382  -6.776
  430    H    VAL  57           H        VAL  57   5.765   6.328  -3.522
  431    HA   VAL  57           HA       VAL  57   3.838   8.058  -2.066
  432    HB   VAL  57           HB       VAL  57   2.445   6.457  -3.252
  433   HG11  VAL  57          1HG1      VAL  57   2.819   3.998  -2.993
  434   HG12  VAL  57          2HG1      VAL  57   4.337   4.339  -2.158
  435   HG13  VAL  57          3HG1      VAL  57   4.127   4.812  -3.839
  436   HG21  VAL  57          3HG2      VAL  57   1.945   6.880  -0.782
  437   HG22  VAL  57          1HG2      VAL  57   2.769   5.366  -0.412
  438   HG23  VAL  57          2HG2      VAL  57   1.312   5.356  -1.402
  439    H    LYS  58           H        LYS  58   3.747   7.682   0.140
  440    HA   LYS  58           HA       LYS  58   5.972   6.109   1.372
  441    HB2  LYS  58           1HB      LYS  58   4.758   8.742   2.282
  442    HB3  LYS  58           2HB      LYS  58   6.024   7.847   3.125
  443    HG2  LYS  58           1HG      LYS  58   7.483   8.077   1.106
  444    HG3  LYS  58           2HG      LYS  58   6.234   9.058   0.344
  445    HD2  LYS  58           1HD      LYS  58   7.638   9.741   2.957
  446    HD3  LYS  58           2HD      LYS  58   8.028  10.440   1.391
  447    HE2  LYS  58           1HE      LYS  58   5.546  11.208   1.297
  448    HE3  LYS  58           2HE      LYS  58   5.502  10.845   3.025
  449    HZ1  LYS  58           3HZ      LYS  58   6.078  13.146   2.613
  450    HZ2  LYS  58           1HZ      LYS  58   7.428  12.671   1.704
  451    HZ3  LYS  58           2HZ      LYS  58   7.360  12.325   3.365
  452    H    ILE  59           H        ILE  59   5.034   4.399   2.256
  453    HA   ILE  59           HA       ILE  59   2.283   4.530   3.374
  454    HB   ILE  59           HB       ILE  59   4.088   2.142   2.844
  455   HG12  ILE  59          1HG1      ILE  59   1.997   1.813   1.087
  456   HG13  ILE  59          2HG1      ILE  59   2.109   3.569   1.078
  457   HG21  ILE  59          1HG2      ILE  59   2.325   1.791   4.622
  458   HG22  ILE  59          2HG2      ILE  59   2.059   0.805   3.197
  459   HG23  ILE  59          3HG2      ILE  59   1.105   2.262   3.455
  460   HD11  ILE  59          3HD1      ILE  59   4.568   3.300   0.566
  461   HD12  ILE  59          1HD1      ILE  59   3.490   2.655  -0.678
  462   HD13  ILE  59          2HD1      ILE  59   4.263   1.563   0.461
  463    H    LYS  60           H        LYS  60   1.881   4.236   5.526
  464    HA   LYS  60           HA       LYS  60   4.179   3.907   7.406
  465    HB2  LYS  60           1HB      LYS  60   2.804   6.120   7.463
  466    HB3  LYS  60           2HB      LYS  60   1.459   5.155   8.056
  467    HG2  LYS  60           1HG      LYS  60   2.787   4.416   9.963
  468    HG3  LYS  60           2HG      LYS  60   4.166   5.337   9.379
  469    HD2  LYS  60           1HD      LYS  60   2.850   7.427   9.589
  470    HD3  LYS  60           2HD      LYS  60   1.489   6.490  10.205
  471    HE2  LYS  60           1HE      LYS  60   2.831   5.744  12.116
  472    HE3  LYS  60           2HE      LYS  60   4.223   6.640  11.505
  473    HZ1  LYS  60           3HZ      LYS  60   2.207   7.586  13.139
  474    HZ2  LYS  60           1HZ      LYS  60   1.951   8.317  11.630
  475    HZ3  LYS  60           2HZ      LYS  60   3.451   8.486  12.411
  476    H    TYR  61           H        TYR  61   4.173   1.801   8.105
  477    HA   TYR  61           HA       TYR  61   1.663   0.589   8.991
  478    HB2  TYR  61           1HB      TYR  61   1.726  -1.257   7.456
  479    HB3  TYR  61           2HB      TYR  61   1.992   0.161   6.474
  480    HD1  TYR  61           HD2      TYR  61   3.722  -2.696   8.132
  481    HD2  TYR  61           HD1      TYR  61   4.093   0.469   5.260
  482    HE1  TYR  61           HE2      TYR  61   5.864  -3.654   7.346
  483    HE2  TYR  61           HE1      TYR  61   6.225  -0.480   4.482
  484    HH   TYR  61           HH       TYR  61   8.053  -1.979   5.485
  485    H    LYS  62           H        LYS  62   2.019  -1.307  10.306
  486    HA   LYS  62           HA       LYS  62   4.808  -1.579  11.332
  487    HB2  LYS  62           1HB      LYS  62   3.747  -1.886  13.597
  488    HB3  LYS  62           2HB      LYS  62   3.556  -0.263  12.938
  489    HG2  LYS  62           1HG      LYS  62   1.264  -0.869  12.162
  490    HG3  LYS  62           2HG      LYS  62   1.449  -2.452  12.903
  491    HD2  LYS  62           1HD      LYS  62   1.760  -1.404  15.112
  492    HD3  LYS  62           2HD      LYS  62   1.556   0.188  14.380
  493    HE2  LYS  62           1HE      LYS  62  -0.514  -2.035  14.388
  494    HE3  LYS  62           2HE      LYS  62  -0.569  -0.573  15.374
  495    HZ1  LYS  62           3HZ      LYS  62  -1.705   0.274  13.664
  496    HZ2  LYS  62           1HZ      LYS  62  -1.200  -0.937  12.588
  497    HZ3  LYS  62           2HZ      LYS  62  -0.199   0.402  12.890
  498    H    HIS  63           H        HIS  63   5.541  -3.573  10.961
  499    HA   HIS  63           HA       HIS  63   3.669  -5.810  10.535
  500    HB2  HIS  63           1HB      HIS  63   5.631  -5.494   9.007
  501    HB3  HIS  63           2HB      HIS  63   6.716  -5.736  10.374
  502    HD1  HIS  63           HD1      HIS  63   3.824  -7.595   8.699
  503    HD2  HIS  63           HD2      HIS  63   7.371  -8.406  10.736
  504    HE1  HIS  63           HE1      HIS  63   4.083 -10.110   8.714
  505    HE2  HIS  63           HE2      HIS  63   6.237 -10.628   9.950
  506    H    GLY  64           H        GLY  64   2.882  -6.451  12.502
  507    HA2  GLY  64           1HA      GLY  64   2.967  -7.737  14.445
  508    HA3  GLY  64           2HA      GLY  64   4.725  -7.678  14.413
  509    H    ASN  65           H        ASN  65   5.703  -6.369  15.867
  510    HA   ASN  65           HA       ASN  65   4.094  -4.314  17.332
  511    HB2  ASN  65           1HB      ASN  65   6.452  -5.957  18.301
  512    HB3  ASN  65           2HB      ASN  65   5.570  -4.756  19.246
  513   HD21  ASN  65          2HD2      ASN  65   5.698  -8.075  18.549
  514   HD22  ASN  65          1HD2      ASN  65   4.138  -8.491  19.074
  515    H    LYS  66           H        LYS  66   6.535  -4.608  15.057
  516    HA   LYS  66           HA       LYS  66   8.039  -2.214  16.004
  517    HB2  LYS  66           1HB      LYS  66   9.727  -2.903  14.291
  518    HB3  LYS  66           2HB      LYS  66   9.466  -4.120  15.538
  519    HG2  LYS  66           1HG      LYS  66   7.947  -5.350  14.022
  520    HG3  LYS  66           2HG      LYS  66   8.226  -4.149  12.764
  521    HD2  LYS  66           1HD      LYS  66  10.634  -4.695  12.765
  522    HD3  LYS  66           2HD      LYS  66  10.359  -5.903  14.021
  523    HE2  LYS  66           1HE      LYS  66   8.856  -7.146  12.509
  524    HE3  LYS  66           2HE      LYS  66   9.110  -5.937  11.252
  525    HZ1  LYS  66           3HZ      LYS  66  10.781  -7.250  10.622
  526    HZ2  LYS  66           1HZ      LYS  66  10.813  -8.099  12.089
  527    HZ3  LYS  66           2HZ      LYS  66  11.629  -6.614  11.951
  528    H    ASN  67           H        ASN  67   7.929  -0.329  14.947
  529    HA   ASN  67           HA       ASN  67   6.008   0.007  12.783
  530    HB2  ASN  67           1HB      ASN  67   6.161   1.630  14.665
  531    HB3  ASN  67           2HB      ASN  67   7.788   2.064  14.146
  532   HD21  ASN  67          2HD2      ASN  67   7.327   4.237  13.423
  533   HD22  ASN  67          1HD2      ASN  67   6.262   4.569  12.145
  534    H    GLU  68           H        GLU  68   6.557  -0.201  10.769
  535    HA   GLU  68           HA       GLU  68   9.333   0.364   9.794
  536    HB2  GLU  68           1HB      GLU  68   7.322  -1.677   8.783
  537    HB3  GLU  68           2HB      GLU  68   8.899  -1.355   8.059
  538    HG2  GLU  68           1HG      GLU  68  10.002  -2.000  10.179
  539    HG3  GLU  68           2HG      GLU  68   8.426  -2.333  10.895
  540    H    GLU  69           H        GLU  69   9.525   1.318   7.737
  541    HA   GLU  69           HA       GLU  69   7.085   2.437   6.473
  542    HB2  GLU  69           1HB      GLU  69   7.968   4.154   8.041
  543    HB3  GLU  69           2HB      GLU  69   9.526   4.089   7.227
  544    HG2  GLU  69           1HG      GLU  69   8.487   4.859   5.132
  545    HG3  GLU  69           2HG      GLU  69   6.907   4.838   5.898
  546    H    ALA  70           H        ALA  70   7.178   2.344   4.339
  547    HA   ALA  70           HA       ALA  70   9.745   2.201   2.901
  548    HB1  ALA  70           3HB      ALA  70   9.116  -0.158   3.444
  549    HB2  ALA  70           1HB      ALA  70   9.129   0.167   1.711
  550    HB3  ALA  70           2HB      ALA  70   7.600   0.075   2.579
  551    H    SER  71           H        SER  71   9.576   2.648   0.752
  552    HA   SER  71           HA       SER  71   7.013   3.826  -0.250
  553    HB2  SER  71           1HB      SER  71   8.449   5.703   0.257
  554    HB3  SER  71           2HB      SER  71   9.836   4.918  -0.494
  555    HG   SER  71           HG       SER  71   7.488   5.337  -1.977
  556    H    ILE  72           H        ILE  72   6.449   3.232  -2.276
  557    HA   ILE  72           HA       ILE  72   8.383   1.665  -3.929
  558    HB   ILE  72           HB       ILE  72   5.756   0.643  -4.497
  559   HG12  ILE  72          1HG1      ILE  72   5.011   1.572  -2.305
  560   HG13  ILE  72          2HG1      ILE  72   4.889  -0.175  -2.387
  561   HG21  ILE  72          1HG2      ILE  72   7.795  -0.641  -4.686
  562   HG22  ILE  72          2HG2      ILE  72   6.678  -1.484  -3.611
  563   HG23  ILE  72          3HG2      ILE  72   8.038  -0.575  -2.953
  564   HD11  ILE  72          3HD1      ILE  72   6.375   1.485  -0.534
  565   HD12  ILE  72          1HD1      ILE  72   7.443   0.299  -1.259
  566   HD13  ILE  72          2HD1      ILE  72   5.990  -0.217  -0.420
  567    H    LYS  73           H        LYS  73   8.146   1.843  -6.198
  568    HA   LYS  73           HA       LYS  73   7.007   4.337  -7.091
  569    HB2  LYS  73           1HB      LYS  73   9.139   3.409  -7.983
  570    HB3  LYS  73           2HB      LYS  73   8.263   2.023  -8.623
  571    HG2  LYS  73           1HG      LYS  73   6.943   3.526 -10.090
  572    HG3  LYS  73           2HG      LYS  73   7.799   4.918  -9.427
  573    HD2  LYS  73           1HD      LYS  73   9.942   3.991 -10.268
  574    HD3  LYS  73           2HD      LYS  73   9.074   2.608 -10.936
  575    HE2  LYS  73           1HE      LYS  73   9.512   4.317 -12.670
  576    HE3  LYS  73           2HE      LYS  73   7.782   4.111 -12.399
  577    HZ1  LYS  73           3HZ      LYS  73   9.426   6.197 -11.079
  578    HZ2  LYS  73           1HZ      LYS  73   7.737   6.051 -11.048
  579    HZ3  LYS  73           2HZ      LYS  73   8.526   6.459 -12.496
  580    H    LEU  74           H        LEU  74   5.098   4.592  -8.155
  581    HA   LEU  74           HA       LEU  74   3.074   2.616  -7.951
  582    HB2  LEU  74           1HB      LEU  74   3.319   5.288  -9.336
  583    HB3  LEU  74           2HB      LEU  74   1.873   4.321  -9.531
  584    HG   LEU  74           HG       LEU  74   1.672   6.042  -7.719
  585   HD11  LEU  74          1HD1      LEU  74   0.388   4.752  -6.317
  586   HD12  LEU  74          2HD1      LEU  74   1.545   3.427  -6.226
  587   HD13  LEU  74          3HD1      LEU  74   0.532   3.621  -7.655
  588   HD21  LEU  74          3HD2      LEU  74   3.679   4.378  -6.168
  589   HD22  LEU  74          1HD2      LEU  74   2.948   5.910  -5.691
  590   HD23  LEU  74          2HD2      LEU  74   4.108   5.861  -7.011
  591    H    THR  75           H        THR  75   2.055   1.392  -9.512
  592    HA   THR  75           HA       THR  75   3.190   1.231 -12.241
  593    HB   THR  75           HB       THR  75   3.450  -1.171 -12.089
  594    HG1  THR  75           HG1      THR  75   1.632  -0.986 -10.291
  595   HG21  THR  75          3HG2      THR  75   4.583  -0.057  -9.501
  596   HG22  THR  75          1HG2      THR  75   5.288   0.305 -11.078
  597   HG23  THR  75          2HG2      THR  75   5.257  -1.356 -10.489
  598    H    ALA  76           H        ALA  76   1.791   0.027 -13.677
  599    HA   ALA  76           HA       ALA  76  -1.054   0.609 -13.212
  600    HB1  ALA  76           3HB      ALA  76  -1.337  -0.228 -15.514
  601    HB2  ALA  76           1HB      ALA  76   0.353  -0.726 -15.559
  602    HB3  ALA  76           2HB      ALA  76  -0.059   0.985 -15.441
  603    H    ILE  77           H        ILE  77  -2.515  -0.832 -12.541
  604    HA   ILE  77           HA       ILE  77  -1.781  -3.716 -12.267
  605    HB   ILE  77           HB       ILE  77  -3.756  -3.462 -10.435
  606   HG12  ILE  77          1HG1      ILE  77  -2.507  -0.687 -10.182
  607   HG13  ILE  77          2HG1      ILE  77  -3.924  -0.898 -11.192
  608   HG21  ILE  77          1HG2      ILE  77  -0.871  -2.591 -10.046
  609   HG22  ILE  77          2HG2      ILE  77  -1.527  -4.214  -9.845
  610   HG23  ILE  77          3HG2      ILE  77  -1.987  -2.931  -8.734
  611   HD11  ILE  77          3HD1      ILE  77  -5.260  -1.629  -9.356
  612   HD12  ILE  77          1HD1      ILE  77  -4.383  -0.195  -8.810
  613   HD13  ILE  77          2HD1      ILE  77  -3.845  -1.797  -8.302
  614    H    ASP  78           H        ASP  78  -4.583  -1.560 -12.698
  615    HA   ASP  78           HA       ASP  78  -6.077  -3.765 -13.992
  616    HB2  ASP  78           1HB      ASP  78  -8.052  -2.410 -13.591
  617    HB3  ASP  78           2HB      ASP  78  -7.134  -2.561 -12.109
  618    H    LYS  79           H        LYS  79  -7.372  -3.270 -15.851
  619    HA   LYS  79           HA       LYS  79  -5.937  -2.486 -18.058
  620    HB2  LYS  79           1HB      LYS  79  -8.157  -2.429 -19.209
  621    HB3  LYS  79           2HB      LYS  79  -7.943  -3.852 -18.188
  622    HG2  LYS  79           1HG      LYS  79  -9.209  -2.703 -16.360
  623    HG3  LYS  79           2HG      LYS  79  -9.481  -1.334 -17.440
  624    HD2  LYS  79           1HD      LYS  79 -10.679  -2.804 -19.015
  625    HD3  LYS  79           2HD      LYS  79 -10.392  -4.183 -17.954
  626    HE2  LYS  79           1HE      LYS  79 -11.667  -3.067 -16.151
  627    HE3  LYS  79           2HE      LYS  79 -11.966  -1.695 -17.219
  628    HZ1  LYS  79           3HZ      LYS  79 -13.793  -2.822 -17.781
  629    HZ2  LYS  79           1HZ      LYS  79 -13.211  -4.291 -17.166
  630    HZ3  LYS  79           2HZ      LYS  79 -12.755  -3.783 -18.721
  631    H    LYS  80           H        LYS  80  -7.883  -0.448 -15.942
  632    HA   LYS  80           HA       LYS  80  -7.850   1.848 -17.700
  633    HB2  LYS  80           1HB      LYS  80  -9.578   1.130 -15.810
  634    HB3  LYS  80           2HB      LYS  80  -8.484   1.985 -14.729
  635    HG2  LYS  80           1HG      LYS  80  -8.673   3.977 -16.353
  636    HG3  LYS  80           2HG      LYS  80  -9.987   3.106 -17.127
  637    HD2  LYS  80           1HD      LYS  80  -9.897   3.939 -14.204
  638    HD3  LYS  80           2HD      LYS  80 -10.820   4.744 -15.465
  639    HE2  LYS  80           1HE      LYS  80 -12.010   2.490 -15.846
  640    HE3  LYS  80           2HE      LYS  80 -11.286   1.975 -14.318
  641    HZ1  LYS  80           3HZ      LYS  80 -12.756   3.161 -13.187
  642    HZ2  LYS  80           1HZ      LYS  80 -13.588   3.442 -14.639
  643    HZ3  LYS  80           2HZ      LYS  80 -12.436   4.563 -14.090
  644    H    GLY  81           H        GLY  81  -5.316   0.478 -16.367
  645    HA2  GLY  81           1HA      GLY  81  -3.268   1.179 -15.561
  646    HA3  GLY  81           2HA      GLY  81  -3.608   2.660 -16.437
  647    H    THR  82           H        THR  82  -5.087   1.209 -13.510
  648    HA   THR  82           HA       THR  82  -5.204   3.771 -12.191
  649    HB   THR  82           HB       THR  82  -5.851   1.000 -11.187
  650    HG1  THR  82           HG1      THR  82  -7.909   2.642 -11.367
  651   HG21  THR  82          3HG2      THR  82  -6.184   3.751  -9.919
  652   HG22  THR  82          1HG2      THR  82  -5.378   2.337  -9.230
  653   HG23  THR  82          2HG2      THR  82  -7.130   2.346  -9.419
  654    HA   PRO  83           HA       PRO  83  -0.981   3.062 -10.525
  655    HB2  PRO  83           1HB      PRO  83  -1.647   5.301  -8.625
  656    HB3  PRO  83           2HB      PRO  83  -0.276   5.155  -9.727
  657    HG2  PRO  83           1HG      PRO  83  -2.324   6.825 -10.212
  658    HG3  PRO  83           2HG      PRO  83  -1.430   6.033 -11.518
  659    HD2  PRO  83           1HD      PRO  83  -4.174   5.412 -10.451
  660    HD3  PRO  83           2HD      PRO  83  -3.526   5.261 -12.104
  661    H    GLY  84           H        GLY  84  -0.366   1.703  -8.937
  662    HA2  GLY  84           1HA      GLY  84  -0.717   1.547  -6.303
  663    HA3  GLY  84           2HA      GLY  84  -2.285   0.939  -6.820
  664    H    ILE  85           H        ILE  85  -0.263  -0.432  -5.303
  665    HA   ILE  85           HA       ILE  85   1.007  -2.396  -7.003
  666    HB   ILE  85           HB       ILE  85   1.237  -3.622  -4.724
  667   HG12  ILE  85          1HG1      ILE  85   0.393  -0.896  -3.634
  668   HG13  ILE  85          2HG1      ILE  85  -0.688  -2.277  -3.680
  669   HG21  ILE  85          1HG2      ILE  85   3.078  -2.337  -5.729
  670   HG22  ILE  85          2HG2      ILE  85   3.053  -2.081  -3.988
  671   HG23  ILE  85          3HG2      ILE  85   2.418  -0.842  -5.069
  672   HD11  ILE  85          3HD1      ILE  85   0.852  -3.566  -2.264
  673   HD12  ILE  85          1HD1      ILE  85   0.414  -2.053  -1.474
  674   HD13  ILE  85          2HD1      ILE  85   1.987  -2.217  -2.251
  675    H    GLY  86           H        GLY  86   0.406  -4.866  -6.342
  676    HA2  GLY  86           1HA      GLY  86  -2.462  -5.180  -6.986
  677    HA3  GLY  86           2HA      GLY  86  -1.170  -6.315  -7.348
  678    H    ILE  87           H        ILE  87  -3.173  -4.992  -4.834
  679    HA   ILE  87           HA       ILE  87  -2.988  -7.508  -3.298
  680    HB   ILE  87           HB       ILE  87  -2.658  -6.362  -1.168
  681   HG12  ILE  87          1HG1      ILE  87  -2.267  -3.789  -2.758
  682   HG13  ILE  87          2HG1      ILE  87  -3.719  -4.147  -1.852
  683   HG21  ILE  87          1HG2      ILE  87  -0.303  -5.800  -1.417
  684   HG22  ILE  87          2HG2      ILE  87  -0.513  -5.434  -3.127
  685   HG23  ILE  87          3HG2      ILE  87  -0.661  -7.093  -2.559
  686   HD11  ILE  87          3HD1      ILE  87  -0.949  -3.961  -0.642
  687   HD12  ILE  87          1HD1      ILE  87  -2.451  -4.286   0.223
  688   HD13  ILE  87          2HD1      ILE  87  -2.199  -2.724  -0.553
  689    H    THR  88           H        THR  88  -4.656  -7.574  -1.569
  690    HA   THR  88           HA       THR  88  -7.093  -5.971  -2.191
  691    HB   THR  88           HB       THR  88  -6.964  -8.955  -1.673
  692    HG1  THR  88           HG1      THR  88  -6.738  -8.920  -3.746
  693   HG21  THR  88          3HG2      THR  88  -9.463  -8.780  -2.186
  694   HG22  THR  88          1HG2      THR  88  -9.310  -7.036  -1.984
  695   HG23  THR  88          2HG2      THR  88  -8.985  -8.117  -0.624
  696    H    LEU  89           H        LEU  89  -7.934  -5.028  -0.467
  697    HA   LEU  89           HA       LEU  89  -6.932  -5.616   2.232
  698    HB2  LEU  89           1HB      LEU  89  -8.506  -3.287   1.099
  699    HB3  LEU  89           2HB      LEU  89  -7.894  -3.386   2.746
  700    HG   LEU  89           HG       LEU  89  -5.936  -3.667   0.418
  701   HD11  LEU  89          1HD1      LEU  89  -6.916  -1.030   1.545
  702   HD12  LEU  89          2HD1      LEU  89  -7.161  -1.628  -0.096
  703   HD13  LEU  89          3HD1      LEU  89  -5.540  -1.232   0.456
  704   HD21  LEU  89          3HD2      LEU  89  -5.174  -4.087   2.786
  705   HD22  LEU  89          1HD2      LEU  89  -5.603  -2.424   3.181
  706   HD23  LEU  89          2HD2      LEU  89  -4.330  -2.754   2.010
  707    H    VAL  90           H        VAL  90  -8.497  -5.494   3.987
  708    HA   VAL  90           HA       VAL  90 -11.008  -6.966   3.337
  709    HB   VAL  90           HB       VAL  90  -9.655  -6.638   6.049
  710   HG11  VAL  90          1HG1      VAL  90 -11.786  -8.556   5.040
  711   HG12  VAL  90          2HG1      VAL  90 -12.047  -7.224   6.166
  712   HG13  VAL  90          3HG1      VAL  90 -11.056  -8.600   6.645
  713   HG21  VAL  90          3HG2      VAL  90  -8.797  -8.936   5.675
  714   HG22  VAL  90          1HG2      VAL  90  -8.155  -7.812   4.480
  715   HG23  VAL  90          2HG2      VAL  90  -9.460  -8.913   4.040
  716    H    ASP  91           H        ASP  91 -12.972  -6.227   3.972
  717    HA   ASP  91           HA       ASP  91 -13.365  -4.001   5.760
  718    HB2  ASP  91           1HB      ASP  91 -14.320  -2.479   4.073
  719    HB3  ASP  91           2HB      ASP  91 -12.614  -2.793   3.764
  720    H    ASP  92           H        ASP  92 -14.322  -6.332   6.198
  721    HA   ASP  92           HA       ASP  92 -16.194  -7.588   6.565
  722    HB2  ASP  92           1HB      ASP  92 -17.003  -5.318   7.349
  723    HB3  ASP  92           2HB      ASP  92 -17.750  -5.095   5.774
  724    H    LEU  93           H        LEU  93 -16.401  -9.205   5.101
  725    HA   LEU  93           HA       LEU  93 -16.499  -9.094   2.366
  726    HB2  LEU  93           1HB      LEU  93 -17.974 -11.085   4.107
  727    HB3  LEU  93           2HB      LEU  93 -17.507 -11.337   2.430
  728    HG   LEU  93           HG       LEU  93 -15.571 -10.871   4.735
  729   HD11  LEU  93          1HD1      LEU  93 -16.715 -13.045   4.904
  730   HD12  LEU  93          2HD1      LEU  93 -15.024 -13.274   4.461
  731   HD13  LEU  93          3HD1      LEU  93 -16.282 -13.416   3.234
  732   HD21  LEU  93          3HD2      LEU  93 -15.150 -11.353   1.758
  733   HD22  LEU  93          1HD2      LEU  93 -13.911 -11.820   2.925
  734   HD23  LEU  93          2HD2      LEU  93 -14.400 -10.140   2.796
  735    H    GLU  94           H        GLU  94 -19.540 -10.120   3.910
  736    HA   GLU  94           HA       GLU  94 -21.724  -9.762   3.260
  737    HB2  GLU  94           1HB      GLU  94 -20.595  -6.941   3.137
  738    HB3  GLU  94           2HB      GLU  94 -22.318  -7.300   3.033
  739    HG2  GLU  94           1HG      GLU  94 -22.245  -8.387   5.239
  740    HG3  GLU  94           2HG      GLU  94 -20.516  -8.083   5.350
  741    H    HIS  95           H        HIS  95 -22.897  -8.026   1.400
  742    HA   HIS  95           HA       HIS  95 -22.094  -9.316  -1.114
  743    HB2  HIS  95           1HB      HIS  95 -24.393  -7.429  -0.492
  744    HB3  HIS  95           2HB      HIS  95 -24.187  -8.373  -1.970
  745    HD1  HIS  95           HD1      HIS  95 -25.708  -8.543   1.316
  746    HD2  HIS  95           HD2      HIS  95 -24.092 -11.321  -1.343
  747    HE1  HIS  95           HE1      HIS  95 -26.580 -10.808   2.030
  748    HE2  HIS  95           HE2      HIS  95 -25.608 -12.515   0.423
  749    H    HIS  96           H        HIS  96 -21.740  -6.261   0.488
  750    HA   HIS  96           HA       HIS  96 -21.043  -4.164  -0.206
  751    HB2  HIS  96           1HB      HIS  96 -18.959  -5.529  -0.080
  752    HB3  HIS  96           2HB      HIS  96 -19.118  -5.898  -1.794
  753    HD1  HIS  96           HD1      HIS  96 -18.698  -3.951  -3.484
  754    HD2  HIS  96           HD2      HIS  96 -18.065  -2.884   0.496
  755    HE1  HIS  96           HE1      HIS  96 -17.501  -1.723  -3.525
  756    HE2  HIS  96           HE2      HIS  96 -17.105  -1.055  -1.108
  757    H    HIS  97           H        HIS  97 -23.088  -3.824  -1.433
  758    HA   HIS  97           HA       HIS  97 -22.543  -2.918  -4.115
  759    HB2  HIS  97           1HB      HIS  97 -22.856  -5.368  -4.488
  760    HB3  HIS  97           2HB      HIS  97 -24.459  -5.258  -3.766
  761    HD1  HIS  97           HD1      HIS  97 -26.335  -4.652  -5.321
  762    HD2  HIS  97           HD2      HIS  97 -22.616  -3.668  -6.929
  763    HE1  HIS  97           HE1      HIS  97 -26.770  -3.824  -7.671
  764    HE2  HIS  97           HE2      HIS  97 -24.516  -3.219  -8.668
  765    H    HIS  98           H        HIS  98 -23.293  -0.963  -3.265
  766    HA   HIS  98           HA       HIS  98 -25.786  -0.621  -1.932
  767    HB2  HIS  98           1HB      HIS  98 -24.135   1.363  -3.532
  768    HB3  HIS  98           2HB      HIS  98 -25.445   1.779  -2.428
  769    HD1  HIS  98           HD1      HIS  98 -25.049   0.909   0.144
  770    HD2  HIS  98           HD2      HIS  98 -21.668   1.154  -2.282
  771    HE1  HIS  98           HE1      HIS  98 -23.054   0.910   1.699
  772    HE2  HIS  98           HE2      HIS  98 -20.983   1.059   0.239
  773    H    HIS  99           H        HIS  99 -24.779  -0.325  -5.331
  774    HA   HIS  99           HA       HIS  99 -27.375  -1.023  -6.324
  775    HB2  HIS  99           1HB      HIS  99 -27.841   1.316  -5.632
  776    HB3  HIS  99           2HB      HIS  99 -26.516   1.876  -6.646
  777    HD1  HIS  99           HD1      HIS  99 -29.822   0.005  -6.973
  778    HD2  HIS  99           HD2      HIS  99 -27.248   2.336  -9.288
  779    HE1  HIS  99           HE1      HIS  99 -30.973   0.361  -9.196
  780    HE2  HIS  99           HE2      HIS  99 -29.427   1.778 -10.623
  781    H    HIS 100           H        HIS 100 -24.509   0.930  -7.238
  782    HA   HIS 100           HA       HIS 100 -24.459   0.154  -9.943
  783    HB2  HIS 100           1HB      HIS 100 -23.213   2.086  -8.993
  784    HB3  HIS 100           2HB      HIS 100 -22.115   0.968  -8.191
  785    HD1  HIS 100           HD1      HIS 100 -20.266  -0.076  -9.602
  786    HD2  HIS 100           HD2      HIS 100 -23.020   2.051 -11.901
  787    HE1  HIS 100           HE1      HIS 100 -19.303   0.046 -11.938
  788    HE2  HIS 100           HE2      HIS 100 -20.967   1.338 -13.355
  Start of MODEL    2
    1    H1   MET   1           1H       MET   1 -18.433  -0.091  21.767
    2    H2   MET   1           2H       MET   1 -17.946  -1.003  20.419
    3    H3   MET   1           3H       MET   1 -19.540  -1.115  20.993
    4    HA   MET   1           HA       MET   1 -19.718   0.244  19.125
    5    HB2  MET   1           1HB      MET   1 -19.415   1.983  21.600
    6    HB3  MET   1           2HB      MET   1 -20.195   2.510  20.111
    7    HG2  MET   1           1HG      MET   1 -21.837   0.664  20.319
    8    HG3  MET   1           2HG      MET   1 -21.079   0.163  21.828
    9    HE1  MET   1           3HE      MET   1 -20.553   2.177  23.725
   10    HE2  MET   1           1HE      MET   1 -21.805   0.982  24.080
   11    HE3  MET   1           2HE      MET   1 -22.083   2.686  24.427
   12    H    VAL   2           H        VAL   2 -17.112   1.495  21.234
   13    HA   VAL   2           HA       VAL   2 -15.898   3.088  19.155
   14    HB   VAL   2           HB       VAL   2 -14.682   2.162  21.789
   15   HG11  VAL   2          1HG1      VAL   2 -14.087   4.537  19.984
   16   HG12  VAL   2          2HG1      VAL   2 -13.046   3.133  20.220
   17   HG13  VAL   2          3HG1      VAL   2 -13.336   4.247  21.554
   18   HG21  VAL   2          3HG2      VAL   2 -16.361   4.620  21.174
   19   HG22  VAL   2          1HG2      VAL   2 -15.533   4.312  22.700
   20   HG23  VAL   2          2HG2      VAL   2 -16.851   3.265  22.186
   21    H    LYS   3           H        LYS   3 -15.394   1.763  17.400
   22    HA   LYS   3           HA       LYS   3 -13.124  -0.105  17.760
   23    HB2  LYS   3           1HB      LYS   3 -15.654  -0.702  16.194
   24    HB3  LYS   3           2HB      LYS   3 -14.193  -1.690  16.150
   25    HG2  LYS   3           1HG      LYS   3 -14.391  -2.069  18.598
   26    HG3  LYS   3           2HG      LYS   3 -15.876  -1.120  18.616
   27    HD2  LYS   3           1HD      LYS   3 -16.928  -2.716  17.052
   28    HD3  LYS   3           2HD      LYS   3 -15.447  -3.672  17.026
   29    HE2  LYS   3           1HE      LYS   3 -15.652  -4.062  19.461
   30    HE3  LYS   3           2HE      LYS   3 -17.138  -3.111  19.484
   31    HZ1  LYS   3           3HZ      LYS   3 -17.356  -5.622  19.309
   32    HZ2  LYS   3           1HZ      LYS   3 -16.827  -5.451  17.707
   33    HZ3  LYS   3           2HZ      LYS   3 -18.258  -4.689  18.213
   34    H    VAL   4           H        VAL   4 -15.060   1.907  15.664
   35    HA   VAL   4           HA       VAL   4 -13.435   1.706  13.340
   36    HB   VAL   4           HB       VAL   4 -15.758   2.530  13.298
   37   HG11  VAL   4          1HG1      VAL   4 -14.686   5.064  14.591
   38   HG12  VAL   4          2HG1      VAL   4 -15.656   3.848  15.421
   39   HG13  VAL   4          3HG1      VAL   4 -16.343   4.760  14.080
   40   HG21  VAL   4          3HG2      VAL   4 -14.156   3.135  11.469
   41   HG22  VAL   4          1HG2      VAL   4 -13.800   4.643  12.312
   42   HG23  VAL   4          2HG2      VAL   4 -15.421   4.341  11.690
   43    H    THR   5           H        THR   5 -13.386   3.858  16.138
   44    HA   THR   5           HA       THR   5 -11.458   5.697  15.191
   45    HB   THR   5           HB       THR   5 -11.189   6.330  17.534
   46    HG1  THR   5           HG1      THR   5 -11.633   3.790  17.935
   47   HG21  THR   5          3HG2      THR   5 -13.544   6.768  18.088
   48   HG22  THR   5          1HG2      THR   5 -14.057   5.550  16.923
   49   HG23  THR   5          2HG2      THR   5 -13.263   7.023  16.364
   50    H    TYR   6           H        TYR   6  -9.255   5.668  15.169
   51    HA   TYR   6           HA       TYR   6  -7.149   4.772  15.040
   52    HB2  TYR   6           1HB      TYR   6  -7.941   3.614  17.728
   53    HB3  TYR   6           2HB      TYR   6  -6.299   3.822  17.127
   54    HD1  TYR   6           HD2      TYR   6  -5.392   6.133  16.695
   55    HD2  TYR   6           HD1      TYR   6  -9.165   5.509  18.648
   56    HE1  TYR   6           HE2      TYR   6  -5.347   8.467  17.529
   57    HE2  TYR   6           HE1      TYR   6  -9.121   7.843  19.481
   58    HH   TYR   6           HH       TYR   6  -6.349   9.755  19.433
   59    H    ASP   7           H        ASP   7  -8.132   3.387  13.268
   60    HA   ASP   7           HA       ASP   7  -7.846   0.488  13.886
   61    HB2  ASP   7           1HB      ASP   7  -9.532   0.055  12.151
   62    HB3  ASP   7           2HB      ASP   7 -10.197   1.095  13.404
   63    H    GLY   8           H        GLY   8  -8.349   0.540  10.764
   64    HA2  GLY   8           1HA      GLY   8  -6.348   1.640   9.293
   65    HA3  GLY   8           2HA      GLY   8  -5.561   0.244  10.040
   66    H    VAL   9           H        VAL   9  -5.401  -0.427   7.710
   67    HA   VAL   9           HA       VAL   9  -7.842  -1.924   6.857
   68    HB   VAL   9           HB       VAL   9  -7.352   0.028   5.387
   69   HG11  VAL   9          1HG1      VAL   9  -4.825  -0.044   5.779
   70   HG12  VAL   9          2HG1      VAL   9  -5.315   0.211   4.111
   71   HG13  VAL   9          3HG1      VAL   9  -4.758  -1.375   4.622
   72   HG21  VAL   9          3HG2      VAL   9  -6.804  -2.651   4.069
   73   HG22  VAL   9          1HG2      VAL   9  -7.394  -1.205   3.255
   74   HG23  VAL   9          2HG2      VAL   9  -8.399  -2.018   4.455
   75    H    TYR  10           H        TYR  10  -7.519  -4.057   6.649
   76    HA   TYR  10           HA       TYR  10  -4.827  -5.151   7.060
   77    HB2  TYR  10           1HB      TYR  10  -7.218  -6.949   6.704
   78    HB3  TYR  10           2HB      TYR  10  -5.888  -7.086   7.844
   79    HD1  TYR  10           HD2      TYR  10  -5.976  -4.369   9.153
   80    HD2  TYR  10           HD1      TYR  10  -9.150  -7.053   8.104
   81    HE1  TYR  10           HE2      TYR  10  -7.399  -3.392  10.936
   82    HE2  TYR  10           HE1      TYR  10 -10.575  -6.075   9.877
   83    HH   TYR  10           HH       TYR  10  -9.770  -3.176  11.488
   84    H    VAL  11           H        VAL  11  -3.917  -6.673   5.684
   85    HA   VAL  11           HA       VAL  11  -4.657  -6.481   2.787
   86    HB   VAL  11           HB       VAL  11  -2.002  -7.258   4.077
   87   HG11  VAL  11          1HG1      VAL  11  -2.786  -6.735   1.186
   88   HG12  VAL  11          2HG1      VAL  11  -2.259  -8.274   1.858
   89   HG13  VAL  11          3HG1      VAL  11  -1.125  -6.931   1.742
   90   HG21  VAL  11          3HG2      VAL  11  -2.902  -4.672   2.754
   91   HG22  VAL  11          1HG2      VAL  11  -1.256  -5.017   3.288
   92   HG23  VAL  11          2HG2      VAL  11  -2.559  -4.890   4.470
   93    H    LEU  12           H        LEU  12  -5.421  -8.317   1.799
   94    HA   LEU  12           HA       LEU  12  -5.701 -10.782   3.311
   95    HB2  LEU  12           1HB      LEU  12  -7.487  -9.887   1.800
   96    HB3  LEU  12           2HB      LEU  12  -6.433 -10.181   0.437
   97    HG   LEU  12           HG       LEU  12  -6.422 -12.608   0.948
   98   HD11  LEU  12          1HD1      LEU  12  -6.764 -12.936   3.244
   99   HD12  LEU  12          2HD1      LEU  12  -8.347 -13.370   2.613
  100   HD13  LEU  12          3HD1      LEU  12  -8.090 -11.776   3.337
  101   HD21  LEU  12          3HD2      LEU  12  -8.089 -11.684  -0.612
  102   HD22  LEU  12          1HD2      LEU  12  -9.200 -11.386   0.727
  103   HD23  LEU  12          2HD2      LEU  12  -8.776 -13.040   0.283
  104    H    SER  13           H        SER  13  -4.131  -9.787   0.299
  105    HA   SER  13           HA       SER  13  -1.882 -11.566   0.642
  106    HB2  SER  13           1HB      SER  13  -2.327 -13.054  -1.251
  107    HB3  SER  13           2HB      SER  13  -3.625 -13.193  -0.064
  108    HG   SER  13           HG       SER  13  -4.369 -11.258  -1.594
  109    H    VAL  14           H        VAL  14  -0.408 -11.518  -1.150
  110    HA   VAL  14           HA       VAL  14  -0.580  -9.067  -2.841
  111    HB   VAL  14           HB       VAL  14   1.946 -10.337  -1.697
  112   HG11  VAL  14          1HG1      VAL  14   2.379  -9.136  -3.786
  113   HG12  VAL  14          2HG1      VAL  14   2.958  -8.144  -2.457
  114   HG13  VAL  14          3HG1      VAL  14   1.433  -7.758  -3.230
  115   HG21  VAL  14          3HG2      VAL  14   2.010  -8.383  -0.185
  116   HG22  VAL  14          1HG2      VAL  14   0.559  -9.347   0.095
  117   HG23  VAL  14          2HG2      VAL  14   0.456  -7.840  -0.816
  118    H    LYS  15           H        LYS  15  -0.121  -9.270  -4.946
  119    HA   LYS  15           HA       LYS  15  -0.468 -11.519  -6.474
  120    HB2  LYS  15           1HB      LYS  15  -0.197  -9.130  -7.292
  121    HB3  LYS  15           2HB      LYS  15   1.535  -9.393  -7.239
  122    HG2  LYS  15           1HG      LYS  15   1.101  -9.943  -9.501
  123    HG3  LYS  15           2HG      LYS  15   0.962 -11.537  -8.762
  124    HD2  LYS  15           1HD      LYS  15  -1.530 -11.191  -8.610
  125    HD3  LYS  15           2HD      LYS  15  -1.330  -9.645  -9.429
  126    HE2  LYS  15           1HE      LYS  15  -0.328 -10.826 -11.377
  127    HE3  LYS  15           2HE      LYS  15  -0.592 -12.366 -10.558
  128    HZ1  LYS  15           3HZ      LYS  15  -2.357 -11.193 -12.205
  129    HZ2  LYS  15           1HZ      LYS  15  -2.917 -10.662 -10.695
  130    HZ3  LYS  15           2HZ      LYS  15  -2.766 -12.325 -11.006
  131    H    GLU  16           H        GLU  16   2.777 -10.739  -7.335
  132    HA   GLU  16           HA       GLU  16   4.040 -12.760  -5.737
  133    HB2  GLU  16           1HB      GLU  16   2.657 -13.924  -7.669
  134    HB3  GLU  16           2HB      GLU  16   4.005 -13.440  -8.674
  135    HG2  GLU  16           1HG      GLU  16   4.517 -15.674  -7.932
  136    HG3  GLU  16           2HG      GLU  16   5.538 -14.610  -6.965
  137    H    ASP  17           H        ASP  17   4.361  -9.953  -6.709
  138    HA   ASP  17           HA       ASP  17   7.198  -9.971  -6.658
  139    HB2  ASP  17           1HB      ASP  17   7.466  -8.842  -8.951
  140    HB3  ASP  17           2HB      ASP  17   7.178 -10.579  -8.970
  141    H    VAL  18           H        VAL  18   4.793  -7.994  -8.252
  142    HA   VAL  18           HA       VAL  18   4.797  -5.613  -8.190
  143    HB   VAL  18           HB       VAL  18   2.795  -5.119  -6.709
  144   HG11  VAL  18          1HG1      VAL  18   2.499  -5.936  -9.005
  145   HG12  VAL  18          2HG1      VAL  18   1.277  -6.634  -7.949
  146   HG13  VAL  18          3HG1      VAL  18   2.662  -7.601  -8.456
  147   HG21  VAL  18          3HG2      VAL  18   1.792  -7.026  -5.523
  148   HG22  VAL  18          1HG2      VAL  18   3.405  -6.700  -4.899
  149   HG23  VAL  18          2HG2      VAL  18   3.146  -8.052  -5.990
  150    HA   PRO  19           HA       PRO  19   7.379  -3.663  -5.230
  151    HB2  PRO  19           1HB      PRO  19   6.248  -1.148  -4.878
  152    HB3  PRO  19           2HB      PRO  19   7.286  -1.595  -6.245
  153    HG2  PRO  19           1HG      PRO  19   4.290  -1.532  -6.088
  154    HG3  PRO  19           2HG      PRO  19   5.361  -0.968  -7.375
  155    HD2  PRO  19           1HD      PRO  19   4.093  -3.352  -7.609
  156    HD3  PRO  19           2HD      PRO  19   5.761  -3.172  -8.188
  157    H    ALA  20           H        ALA  20   4.522  -4.905  -4.394
  158    HA   ALA  20           HA       ALA  20   4.536  -3.945  -1.589
  159    HB1  ALA  20           3HB      ALA  20   2.400  -5.519  -3.074
  160    HB2  ALA  20           1HB      ALA  20   2.352  -3.787  -2.784
  161    HB3  ALA  20           2HB      ALA  20   2.284  -4.912  -1.430
  162    H    ALA  21           H        ALA  21   5.173  -6.727  -3.718
  163    HA   ALA  21           HA       ALA  21   5.082  -8.685  -1.594
  164    HB1  ALA  21           3HB      ALA  21   4.999  -8.886  -4.352
  165    HB2  ALA  21           1HB      ALA  21   5.363 -10.247  -3.287
  166    HB3  ALA  21           2HB      ALA  21   6.673  -9.349  -4.049
  167    H    GLY  22           H        GLY  22   6.639  -9.351  -0.305
  168    HA2  GLY  22           1HA      GLY  22   8.812  -9.771   0.492
  169    HA3  GLY  22           2HA      GLY  22   9.470  -8.685  -0.723
  170    H    ILE  23           H        ILE  23   7.292  -6.694   0.112
  171    HA   ILE  23           HA       ILE  23   8.754  -5.520   2.426
  172    HB   ILE  23           HB       ILE  23   6.972  -4.228   0.329
  173   HG12  ILE  23          1HG1      ILE  23   9.995  -4.062   0.699
  174   HG13  ILE  23          2HG1      ILE  23   9.205  -5.074  -0.507
  175   HG21  ILE  23          1HG2      ILE  23   6.891  -2.996   2.475
  176   HG22  ILE  23          2HG2      ILE  23   7.809  -2.092   1.288
  177   HG23  ILE  23          3HG2      ILE  23   8.654  -2.992   2.544
  178   HD11  ILE  23          3HD1      ILE  23   9.906  -3.011  -1.568
  179   HD12  ILE  23          1HD1      ILE  23   9.084  -2.047  -0.338
  180   HD13  ILE  23          2HD1      ILE  23   8.150  -3.023  -1.465
  181    H    LEU  24           H        LEU  24   5.458  -5.869   1.078
  182    HA   LEU  24           HA       LEU  24   4.273  -5.481   3.767
  183    HB2  LEU  24           1HB      LEU  24   3.190  -5.382   0.947
  184    HB3  LEU  24           2HB      LEU  24   2.086  -5.489   2.308
  185    HG   LEU  24           HG       LEU  24   4.190  -3.267   2.211
  186   HD11  LEU  24          1HD1      LEU  24   2.915  -3.150   0.085
  187   HD12  LEU  24          2HD1      LEU  24   2.538  -1.806   1.129
  188   HD13  LEU  24          3HD1      LEU  24   1.406  -3.139   0.990
  189   HD21  LEU  24          3HD2      LEU  24   2.584  -2.107   3.669
  190   HD22  LEU  24          1HD2      LEU  24   2.902  -3.695   4.346
  191   HD23  LEU  24          2HD2      LEU  24   1.406  -3.398   3.465
  192    H    HIS  25           H        HIS  25   3.331  -7.105   4.839
  193    HA   HIS  25           HA       HIS  25   3.058  -9.776   3.542
  194    HB2  HIS  25           1HB      HIS  25   4.865  -9.619   5.293
  195    HB3  HIS  25           2HB      HIS  25   3.639  -9.173   6.477
  196    HD1  HIS  25           HD1      HIS  25   4.270 -11.993   3.981
  197    HD2  HIS  25           HD2      HIS  25   2.512 -11.390   7.712
  198    HE1  HIS  25           HE1      HIS  25   3.498 -14.263   4.787
  199    HE2  HIS  25           HE2      HIS  25   2.422 -13.921   7.060
  200    H    ALA  26           H        ALA  26   1.193 -10.915   3.938
  201    HA   ALA  26           HA       ALA  26  -1.211  -9.575   4.290
  202    HB1  ALA  26           3HB      ALA  26  -2.229 -11.791   4.631
  203    HB2  ALA  26           1HB      ALA  26  -0.633 -12.484   4.918
  204    HB3  ALA  26           2HB      ALA  26  -1.040 -11.838   3.330
  205    H    GLY  27           H        GLY  27  -2.371  -8.871   6.012
  206    HA2  GLY  27           1HA      GLY  27  -3.229  -9.008   8.236
  207    HA3  GLY  27           2HA      GLY  27  -1.760  -9.825   8.758
  208    H    ASP  28           H        ASP  28  -0.661  -7.379   6.799
  209    HA   ASP  28           HA       ASP  28   0.206  -5.755   9.018
  210    HB2  ASP  28           1HB      ASP  28   0.422  -5.416   6.007
  211    HB3  ASP  28           2HB      ASP  28   1.161  -4.318   7.168
  212    H    LEU  29           H        LEU  29  -0.333  -3.555   9.377
  213    HA   LEU  29           HA       LEU  29  -2.954  -2.642   8.299
  214    HB2  LEU  29           1HB      LEU  29  -1.880  -2.172  11.111
  215    HB3  LEU  29           2HB      LEU  29  -3.443  -1.669  10.466
  216    HG   LEU  29           HG       LEU  29  -3.690  -4.336   9.993
  217   HD11  LEU  29          1HD1      LEU  29  -1.441  -4.944  10.854
  218   HD12  LEU  29          2HD1      LEU  29  -2.714  -5.684  11.813
  219   HD13  LEU  29          3HD1      LEU  29  -1.862  -4.261  12.421
  220   HD21  LEU  29          3HD2      LEU  29  -5.176  -2.926  11.427
  221   HD22  LEU  29          1HD2      LEU  29  -4.078  -3.178  12.779
  222   HD23  LEU  29          2HD2      LEU  29  -4.942  -4.546  12.069
  223    H    ILE  30           H        ILE  30  -2.759  -0.769   7.177
  224    HA   ILE  30           HA       ILE  30  -0.351   0.804   7.257
  225    HB   ILE  30           HB       ILE  30  -3.017   1.561   6.028
  226   HG12  ILE  30          1HG1      ILE  30  -2.396  -0.669   5.205
  227   HG13  ILE  30          2HG1      ILE  30  -2.195   0.526   3.937
  228   HG21  ILE  30          1HG2      ILE  30  -1.627   2.877   4.503
  229   HG22  ILE  30          2HG2      ILE  30  -0.178   2.362   5.363
  230   HG23  ILE  30          3HG2      ILE  30  -1.373   3.380   6.168
  231   HD11  ILE  30          3HD1      ILE  30  -0.264  -0.770   3.739
  232   HD12  ILE  30          1HD1      ILE  30  -0.088  -0.966   5.481
  233   HD13  ILE  30          2HD1      ILE  30   0.325   0.572   4.716
  234    H    THR  31           H        THR  31   0.080   2.330   8.726
  235    HA   THR  31           HA       THR  31  -1.976   3.365  10.548
  236    HB   THR  31           HB       THR  31  -0.008   4.377  11.718
  237    HG1  THR  31           HG1      THR  31   1.424   3.017   9.682
  238   HG21  THR  31          3HG2      THR  31  -0.760   2.124  12.337
  239   HG22  THR  31          1HG2      THR  31   0.997   2.231  12.438
  240   HG23  THR  31          2HG2      THR  31   0.240   1.422  11.066
  241    H    GLU  32           H        GLU  32   0.386   4.636   8.150
  242    HA   GLU  32           HA       GLU  32  -1.321   6.962   7.667
  243    HB2  GLU  32           1HB      GLU  32   0.167   7.524   9.672
  244    HB3  GLU  32           2HB      GLU  32   1.541   7.392   8.589
  245    HG2  GLU  32           1HG      GLU  32   0.645   9.179   7.162
  246    HG3  GLU  32           2HG      GLU  32  -0.796   9.287   8.167
  247    H    ILE  33           H        ILE  33  -0.820   8.103   5.740
  248    HA   ILE  33           HA       ILE  33   1.427   7.176   4.086
  249    HB   ILE  33           HB       ILE  33  -1.423   6.450   3.571
  250   HG12  ILE  33          1HG1      ILE  33   1.141   5.305   2.432
  251   HG13  ILE  33          2HG1      ILE  33   0.472   4.814   3.979
  252   HG21  ILE  33          1HG2      ILE  33  -1.219   8.107   1.745
  253   HG22  ILE  33          2HG2      ILE  33  -1.221   6.485   1.080
  254   HG23  ILE  33          3HG2      ILE  33   0.293   7.363   1.227
  255   HD11  ILE  33          3HD1      ILE  33  -0.570   4.322   1.212
  256   HD12  ILE  33          1HD1      ILE  33  -1.668   4.271   2.589
  257   HD13  ILE  33          2HD1      ILE  33  -0.306   3.168   2.504
  258    H    ASP  34           H        ASP  34   2.286   8.721   2.886
  259    HA   ASP  34           HA       ASP  34   2.733  10.823   2.095
  260    HB2  ASP  34           1HB      ASP  34   0.937  10.090   0.524
  261    HB3  ASP  34           2HB      ASP  34  -0.258  10.857   1.561
  262    H    GLY  35           H        GLY  35   2.220  10.618   4.916
  263    HA2  GLY  35           1HA      GLY  35   2.190  12.106   6.682
  264    HA3  GLY  35           2HA      GLY  35   1.901  13.412   5.545
  265    H    GLN  36           H        GLN  36  -0.431  11.366   4.683
  266    HA   GLN  36           HA       GLN  36  -2.479  12.610   6.440
  267    HB2  GLN  36           1HB      GLN  36  -2.716  11.160   3.781
  268    HB3  GLN  36           2HB      GLN  36  -4.062  11.877   4.667
  269    HG2  GLN  36           1HG      GLN  36  -2.962  14.098   4.520
  270    HG3  GLN  36           2HG      GLN  36  -1.646  13.373   3.597
  271   HE21  GLN  36          2HE2      GLN  36  -2.057  12.825   1.353
  272   HE22  GLN  36          1HE2      GLN  36  -3.491  13.279   0.566
  273    H    SER  37           H        SER  37  -3.566  11.423   7.901
  274    HA   SER  37           HA       SER  37  -3.190   8.478   8.001
  275    HB2  SER  37           1HB      SER  37  -3.847   8.674  10.351
  276    HB3  SER  37           2HB      SER  37  -2.513   9.770  10.002
  277    HG   SER  37           HG       SER  37  -5.208  10.297  10.539
  278    H    PHE  38           H        PHE  38  -4.805   7.599   6.769
  279    HA   PHE  38           HA       PHE  38  -7.492   8.684   6.707
  280    HB2  PHE  38           1HB      PHE  38  -6.534   5.981   5.702
  281    HB3  PHE  38           2HB      PHE  38  -7.977   6.853   5.206
  282    HD1  PHE  38           HD1      PHE  38  -7.490   9.402   4.425
  283    HD2  PHE  38           HD2      PHE  38  -4.651   6.180   4.245
  284    HE1  PHE  38           HE1      PHE  38  -6.217  10.618   2.685
  285    HE2  PHE  38           HE2      PHE  38  -3.389   7.398   2.508
  286    HZ   PHE  38           HZ       PHE  38  -4.157   9.621   1.729
  287    H    LYS  39           H        LYS  39  -9.278   7.979   7.796
  288    HA   LYS  39           HA       LYS  39  -8.867   6.187  10.104
  289    HB2  LYS  39           1HB      LYS  39 -11.169   7.997   9.335
  290    HB3  LYS  39           2HB      LYS  39 -11.049   7.094  10.846
  291    HG2  LYS  39           1HG      LYS  39  -8.894   8.313  11.330
  292    HG3  LYS  39           2HG      LYS  39  -9.165   9.291   9.896
  293    HD2  LYS  39           1HD      LYS  39 -11.022   9.127  12.302
  294    HD3  LYS  39           2HD      LYS  39  -9.905  10.444  11.970
  295    HE2  LYS  39           1HE      LYS  39 -12.425   9.707  10.436
  296    HE3  LYS  39           2HE      LYS  39 -12.013  11.247  11.180
  297    HZ1  LYS  39           3HZ      LYS  39 -11.599  11.619   8.965
  298    HZ2  LYS  39           1HZ      LYS  39 -10.977  10.065   8.691
  299    HZ3  LYS  39           2HZ      LYS  39 -10.052  11.209   9.539
  300    H    SER  40           H        SER  40 -10.214   6.128   6.954
  301    HA   SER  40           HA       SER  40 -11.631   3.552   7.505
  302    HB2  SER  40           1HB      SER  40 -12.495   5.756   5.599
  303    HB3  SER  40           2HB      SER  40 -13.297   4.197   5.804
  304    HG   SER  40           HG       SER  40 -13.118   6.397   7.553
  305    H    SER  41           H        SER  41 -11.535   1.995   5.845
  306    HA   SER  41           HA       SER  41  -9.120   1.919   4.362
  307    HB2  SER  41           1HB      SER  41 -10.291  -0.115   5.096
  308    HB3  SER  41           2HB      SER  41 -11.646   0.276   4.037
  309    HG   SER  41           HG       SER  41  -9.728   0.397   2.419
  310    H    GLN  42           H        GLN  42 -12.528   2.351   3.272
  311    HA   GLN  42           HA       GLN  42 -12.024   2.633   0.546
  312    HB2  GLN  42           1HB      GLN  42 -14.131   3.975   2.267
  313    HB3  GLN  42           2HB      GLN  42 -14.163   3.961   0.505
  314    HG2  GLN  42           1HG      GLN  42 -14.222   1.505   0.499
  315    HG3  GLN  42           2HG      GLN  42 -14.146   1.482   2.262
  316   HE21  GLN  42          2HE2      GLN  42 -16.354   0.225   1.637
  317   HE22  GLN  42          1HE2      GLN  42 -17.742   1.205   1.643
  318    H    GLU  43           H        GLU  43 -11.666   5.026   3.125
  319    HA   GLU  43           HA       GLU  43 -11.338   7.293   1.438
  320    HB2  GLU  43           1HB      GLU  43 -11.804   7.388   3.893
  321    HB3  GLU  43           2HB      GLU  43 -10.174   6.812   4.194
  322    HG2  GLU  43           1HG      GLU  43 -10.151   9.229   4.424
  323    HG3  GLU  43           2HG      GLU  43  -9.301   8.838   2.935
  324    H    PHE  44           H        PHE  44  -9.086   4.794   2.637
  325    HA   PHE  44           HA       PHE  44  -6.710   6.081   1.707
  326    HB2  PHE  44           1HB      PHE  44  -6.493   4.277   3.300
  327    HB3  PHE  44           2HB      PHE  44  -7.347   3.166   2.273
  328    HD1  PHE  44           HD2      PHE  44  -4.662   5.503   1.088
  329    HD2  PHE  44           HD1      PHE  44  -5.630   1.450   2.109
  330    HE1  PHE  44           HE2      PHE  44  -2.557   4.750   0.087
  331    HE2  PHE  44           HE1      PHE  44  -3.483   0.697   1.129
  332    HZ   PHE  44           HZ       PHE  44  -1.924   2.353   0.141
  333    H    ILE  45           H        ILE  45  -8.821   3.579   0.368
  334    HA   ILE  45           HA       ILE  45  -7.441   3.073  -1.999
  335    HB   ILE  45           HB       ILE  45 -10.478   3.085  -1.789
  336   HG12  ILE  45          1HG1      ILE  45  -9.684   1.755   0.079
  337   HG13  ILE  45          2HG1      ILE  45 -10.226   0.647  -1.157
  338   HG21  ILE  45          1HG2      ILE  45  -9.626   2.802  -4.071
  339   HG22  ILE  45          2HG2      ILE  45 -10.287   1.273  -3.492
  340   HG23  ILE  45          3HG2      ILE  45  -8.541   1.521  -3.530
  341   HD11  ILE  45          3HD1      ILE  45  -7.733   0.543  -1.882
  342   HD12  ILE  45          1HD1      ILE  45  -8.196  -0.271  -0.388
  343   HD13  ILE  45          2HD1      ILE  45  -7.398   1.295  -0.315
  344    H    ASP  46           H        ASP  46  -9.387   5.807  -1.119
  345    HA   ASP  46           HA       ASP  46  -9.784   6.815  -3.802
  346    HB2  ASP  46           1HB      ASP  46  -9.877   8.288  -1.146
  347    HB3  ASP  46           2HB      ASP  46 -10.421   8.927  -2.692
  348    H    TYR  47           H        TYR  47  -7.283   7.192  -1.334
  349    HA   TYR  47           HA       TYR  47  -5.879   9.334  -2.597
  350    HB2  TYR  47           1HB      TYR  47  -5.381   8.968  -0.289
  351    HB3  TYR  47           2HB      TYR  47  -5.084   7.265  -0.540
  352    HD1  TYR  47           HD1      TYR  47  -3.657  10.657  -0.963
  353    HD2  TYR  47           HD2      TYR  47  -2.996   6.453  -1.543
  354    HE1  TYR  47           HE1      TYR  47  -1.266  11.099  -1.462
  355    HE2  TYR  47           HE2      TYR  47  -0.618   6.890  -2.046
  356    HH   TYR  47           HH       TYR  47   0.736  10.178  -1.823
  357    H    ILE  48           H        ILE  48  -5.468   5.817  -2.627
  358    HA   ILE  48           HA       ILE  48  -3.116   5.691  -4.070
  359    HB   ILE  48           HB       ILE  48  -5.344   3.663  -4.491
  360   HG12  ILE  48          1HG1      ILE  48  -3.303   3.757  -2.222
  361   HG13  ILE  48          2HG1      ILE  48  -5.016   4.127  -2.049
  362   HG21  ILE  48          1HG2      ILE  48  -2.305   3.430  -4.476
  363   HG22  ILE  48          2HG2      ILE  48  -3.309   3.457  -5.926
  364   HG23  ILE  48          3HG2      ILE  48  -3.431   2.110  -4.803
  365   HD11  ILE  48          3HD1      ILE  48  -4.741   1.858  -1.356
  366   HD12  ILE  48          1HD1      ILE  48  -3.787   1.461  -2.782
  367   HD13  ILE  48          2HD1      ILE  48  -5.514   1.797  -2.928
  368    H    HIS  49           H        HIS  49  -6.408   6.076  -5.264
  369    HA   HIS  49           HA       HIS  49  -5.633   5.981  -8.066
  370    HB2  HIS  49           1HB      HIS  49  -8.216   6.916  -6.780
  371    HB3  HIS  49           2HB      HIS  49  -7.973   6.512  -8.474
  372    HD1  HIS  49           HD1      HIS  49  -6.472   3.882  -8.310
  373    HD2  HIS  49           HD2      HIS  49  -9.694   4.795  -5.824
  374    HE1  HIS  49           HE1      HIS  49  -7.461   1.676  -7.575
  375    HE2  HIS  49           HE2      HIS  49  -9.426   2.206  -6.060
  376    H    SER  50           H        SER  50  -5.838   8.432  -5.561
  377    HA   SER  50           HA       SER  50  -6.149  10.690  -7.332
  378    HB2  SER  50           1HB      SER  50  -6.839  10.626  -4.903
  379    HB3  SER  50           2HB      SER  50  -5.134  10.694  -4.476
  380    HG   SER  50           HG       SER  50  -5.013  12.702  -5.246
  381    H    LYS  51           H        LYS  51  -3.980   8.992  -8.135
  382    HA   LYS  51           HA       LYS  51  -1.801  10.956  -8.207
  383    HB2  LYS  51           1HB      LYS  51  -1.421   8.108  -7.226
  384    HB3  LYS  51           2HB      LYS  51  -0.094   9.151  -7.699
  385    HG2  LYS  51           1HG      LYS  51  -2.021   9.772  -5.425
  386    HG3  LYS  51           2HG      LYS  51  -0.434   9.057  -5.221
  387    HD2  LYS  51           1HD      LYS  51   0.602  11.079  -6.245
  388    HD3  LYS  51           2HD      LYS  51  -0.981  11.822  -6.378
  389    HE2  LYS  51           1HE      LYS  51   0.263  10.937  -3.774
  390    HE3  LYS  51           2HE      LYS  51   0.213  12.597  -4.361
  391    HZ1  LYS  51           3HZ      LYS  51  -1.626  12.335  -2.940
  392    HZ2  LYS  51           1HZ      LYS  51  -2.078  10.863  -3.650
  393    HZ3  LYS  51           2HZ      LYS  51  -2.252  12.313  -4.520
  394    H    LYS  52           H        LYS  52   0.084   9.541  -9.555
  395    HA   LYS  52           HA       LYS  52  -1.257   8.472 -11.974
  396    HB2  LYS  52           1HB      LYS  52   1.017  10.475 -11.913
  397    HB3  LYS  52           2HB      LYS  52   0.273   9.799 -13.354
  398    HG2  LYS  52           1HG      LYS  52  -1.215  11.495 -11.311
  399    HG3  LYS  52           2HG      LYS  52  -0.524  12.131 -12.796
  400    HD2  LYS  52           1HD      LYS  52  -1.993  10.586 -14.107
  401    HD3  LYS  52           2HD      LYS  52  -2.731  10.047 -12.610
  402    HE2  LYS  52           1HE      LYS  52  -3.462  12.342 -12.110
  403    HE3  LYS  52           2HE      LYS  52  -2.748  12.891 -13.628
  404    HZ1  LYS  52           3HZ      LYS  52  -4.903  12.498 -14.253
  405    HZ2  LYS  52           1HZ      LYS  52  -5.105  11.195 -13.190
  406    HZ3  LYS  52           2HZ      LYS  52  -4.201  10.994 -14.615
  407    H    VAL  53           H        VAL  53   0.290   7.364 -13.409
  408    HA   VAL  53           HA       VAL  53   1.652   5.338 -11.958
  409    HB   VAL  53           HB       VAL  53   1.834   5.954 -14.929
  410   HG11  VAL  53          1HG1      VAL  53   2.247   3.496 -15.102
  411   HG12  VAL  53          2HG1      VAL  53   2.250   3.395 -13.342
  412   HG13  VAL  53          3HG1      VAL  53   3.504   4.312 -14.175
  413   HG21  VAL  53          3HG2      VAL  53  -0.521   5.783 -14.221
  414   HG22  VAL  53          1HG2      VAL  53  -0.173   4.269 -13.384
  415   HG23  VAL  53          2HG2      VAL  53  -0.066   4.354 -15.142
  416    H    GLY  54           H        GLY  54   3.814   5.029 -11.524
  417    HA2  GLY  54           1HA      GLY  54   6.138   5.361 -11.661
  418    HA3  GLY  54           2HA      GLY  54   5.884   6.719 -12.752
  419    H    ASP  55           H        ASP  55   3.783   7.195 -10.308
  420    HA   ASP  55           HA       ASP  55   5.151   9.420  -9.210
  421    HB2  ASP  55           1HB      ASP  55   2.681   7.867  -8.369
  422    HB3  ASP  55           2HB      ASP  55   3.247   9.240  -7.425
  423    H    THR  56           H        THR  56   4.887   9.317  -6.498
  424    HA   THR  56           HA       THR  56   6.362   7.001  -5.461
  425    HB   THR  56           HB       THR  56   7.390   9.829  -5.102
  426    HG1  THR  56           HG1      THR  56   7.783   7.969  -7.075
  427   HG21  THR  56          3HG2      THR  56   8.608   7.130  -4.460
  428   HG22  THR  56          1HG2      THR  56   7.945   8.261  -3.280
  429   HG23  THR  56          2HG2      THR  56   9.383   8.694  -4.204
  430    H    VAL  57           H        VAL  57   5.892   6.628  -3.351
  431    HA   VAL  57           HA       VAL  57   4.440   8.648  -1.739
  432    HB   VAL  57           HB       VAL  57   2.672   7.353  -2.816
  433   HG11  VAL  57          1HG1      VAL  57   4.067   4.894  -1.703
  434   HG12  VAL  57          2HG1      VAL  57   3.939   5.347  -3.404
  435   HG13  VAL  57          3HG1      VAL  57   2.491   4.906  -2.499
  436   HG21  VAL  57          3HG2      VAL  57   2.919   6.333   0.043
  437   HG22  VAL  57          1HG2      VAL  57   1.446   6.655  -0.858
  438   HG23  VAL  57          2HG2      VAL  57   2.472   7.991  -0.351
  439    H    LYS  58           H        LYS  58   4.323   8.077   0.505
  440    HA   LYS  58           HA       LYS  58   6.546   6.346   1.467
  441    HB2  LYS  58           1HB      LYS  58   6.774   8.816   1.901
  442    HB3  LYS  58           2HB      LYS  58   5.256   8.765   2.789
  443    HG2  LYS  58           1HG      LYS  58   6.209   7.207   4.424
  444    HG3  LYS  58           2HG      LYS  58   7.694   7.085   3.488
  445    HD2  LYS  58           1HD      LYS  58   8.069   8.600   5.353
  446    HD3  LYS  58           2HD      LYS  58   8.104   9.517   3.850
  447    HE2  LYS  58           1HE      LYS  58   6.776  10.556   5.820
  448    HE3  LYS  58           2HE      LYS  58   5.945  10.491   4.271
  449    HZ1  LYS  58           3HZ      LYS  58   5.669   8.221   6.111
  450    HZ2  LYS  58           1HZ      LYS  58   4.564   8.836   4.981
  451    HZ3  LYS  58           2HZ      LYS  58   4.815   9.648   6.450
  452    H    ILE  59           H        ILE  59   5.835   4.554   2.509
  453    HA   ILE  59           HA       ILE  59   3.028   4.378   3.430
  454    HB   ILE  59           HB       ILE  59   4.165   2.670   1.789
  455   HG12  ILE  59          1HG1      ILE  59   2.712   1.584   4.240
  456   HG13  ILE  59          2HG1      ILE  59   1.920   2.386   2.900
  457   HG21  ILE  59          1HG2      ILE  59   5.492   0.901   2.729
  458   HG22  ILE  59          2HG2      ILE  59   5.120   1.386   4.381
  459   HG23  ILE  59          3HG2      ILE  59   6.171   2.379   3.405
  460   HD11  ILE  59          3HD1      ILE  59   1.798  -0.034   2.635
  461   HD12  ILE  59          1HD1      ILE  59   3.557  -0.141   2.670
  462   HD13  ILE  59          2HD1      ILE  59   2.752   0.699   1.348
  463    H    LYS  60           H        LYS  60   2.462   3.811   5.507
  464    HA   LYS  60           HA       LYS  60   4.618   3.391   7.509
  465    HB2  LYS  60           1HB      LYS  60   3.621   5.838   7.416
  466    HB3  LYS  60           2HB      LYS  60   2.185   5.106   8.097
  467    HG2  LYS  60           1HG      LYS  60   3.283   5.754  10.063
  468    HG3  LYS  60           2HG      LYS  60   3.863   4.101   9.905
  469    HD2  LYS  60           1HD      LYS  60   5.940   4.940   8.819
  470    HD3  LYS  60           2HD      LYS  60   5.339   6.590   8.970
  471    HE2  LYS  60           1HE      LYS  60   6.871   6.125  10.816
  472    HE3  LYS  60           2HE      LYS  60   5.233   6.280  11.455
  473    HZ1  LYS  60           3HZ      LYS  60   5.557   3.625  10.725
  474    HZ2  LYS  60           1HZ      LYS  60   5.463   4.254  12.298
  475    HZ3  LYS  60           2HZ      LYS  60   6.978   4.056  11.554
  476    H    TYR  61           H        TYR  61   4.208   1.382   8.241
  477    HA   TYR  61           HA       TYR  61   1.479   0.670   9.098
  478    HB2  TYR  61           1HB      TYR  61   1.495  -1.432   7.903
  479    HB3  TYR  61           2HB      TYR  61   1.807  -0.164   6.754
  480    HD1  TYR  61           HD2      TYR  61   3.507  -2.798   8.814
  481    HD2  TYR  61           HD1      TYR  61   3.829  -0.157   5.462
  482    HE1  TYR  61           HE2      TYR  61   5.631  -3.885   8.160
  483    HE2  TYR  61           HE1      TYR  61   5.958  -1.236   4.800
  484    HH   TYR  61           HH       TYR  61   6.949  -4.192   5.989
  485    H    LYS  62           H        LYS  62   1.476  -1.179  10.679
  486    HA   LYS  62           HA       LYS  62   4.102  -1.499  12.036
  487    HB2  LYS  62           1HB      LYS  62   2.354  -0.210  13.268
  488    HB3  LYS  62           2HB      LYS  62   1.273  -1.593  13.155
  489    HG2  LYS  62           1HG      LYS  62   2.897  -2.970  14.436
  490    HG3  LYS  62           2HG      LYS  62   3.981  -1.588  14.527
  491    HD2  LYS  62           1HD      LYS  62   2.250  -0.323  15.775
  492    HD3  LYS  62           2HD      LYS  62   1.178  -1.720  15.681
  493    HE2  LYS  62           1HE      LYS  62   2.822  -3.076  16.934
  494    HE3  LYS  62           2HE      LYS  62   3.897  -1.682  17.032
  495    HZ1  LYS  62           3HZ      LYS  62   2.297  -0.509  18.319
  496    HZ2  LYS  62           1HZ      LYS  62   2.506  -2.033  19.030
  497    HZ3  LYS  62           2HZ      LYS  62   1.127  -1.717  18.090
  498    H    HIS  63           H        HIS  63   4.890  -3.490  11.676
  499    HA   HIS  63           HA       HIS  63   3.065  -5.852  11.625
  500    HB2  HIS  63           1HB      HIS  63   4.235  -5.430   9.445
  501    HB3  HIS  63           2HB      HIS  63   5.787  -5.554  10.272
  502    HD1  HIS  63           HD1      HIS  63   2.607  -7.662  10.016
  503    HD2  HIS  63           HD2      HIS  63   6.745  -8.154  10.188
  504    HE1  HIS  63           HE1      HIS  63   3.040 -10.149   9.881
  505    HE2  HIS  63           HE2      HIS  63   5.553 -10.474   9.985
  506    H    GLY  64           H        GLY  64   3.250  -6.907  13.523
  507    HA2  GLY  64           1HA      GLY  64   4.204  -8.021  15.300
  508    HA3  GLY  64           2HA      GLY  64   5.791  -7.723  14.601
  509    H    ASN  65           H        ASN  65   6.967  -6.795  16.194
  510    HA   ASN  65           HA       ASN  65   5.810  -4.605  17.847
  511    HB2  ASN  65           1HB      ASN  65   8.240  -6.354  18.304
  512    HB3  ASN  65           2HB      ASN  65   7.648  -5.114  19.410
  513   HD21  ASN  65          2HD2      ASN  65   4.765  -5.805  18.840
  514   HD22  ASN  65          1HD2      ASN  65   4.494  -7.272  19.650
  515    H    LYS  66           H        LYS  66   7.560  -4.951  15.087
  516    HA   LYS  66           HA       LYS  66   9.205  -2.501  15.577
  517    HB2  LYS  66           1HB      LYS  66  10.776  -3.431  13.833
  518    HB3  LYS  66           2HB      LYS  66  10.716  -4.355  15.329
  519    HG2  LYS  66           1HG      LYS  66   9.161  -5.975  14.271
  520    HG3  LYS  66           2HG      LYS  66   9.250  -5.067  12.764
  521    HD2  LYS  66           1HD      LYS  66  11.676  -5.466  12.639
  522    HD3  LYS  66           2HD      LYS  66  11.613  -6.361  14.157
  523    HE2  LYS  66           1HE      LYS  66  11.597  -7.891  12.216
  524    HE3  LYS  66           2HE      LYS  66  10.097  -8.011  13.137
  525    HZ1  LYS  66           3HZ      LYS  66   8.962  -7.417  11.351
  526    HZ2  LYS  66           1HZ      LYS  66  10.394  -7.396  10.445
  527    HZ3  LYS  66           2HZ      LYS  66   9.852  -5.978  11.206
  528    H    ASN  67           H        ASN  67   8.481  -0.806  14.495
  529    HA   ASN  67           HA       ASN  67   6.641  -1.040  12.252
  530    HB2  ASN  67           1HB      ASN  67   7.890   1.395  13.574
  531    HB3  ASN  67           2HB      ASN  67   6.605   1.433  12.367
  532   HD21  ASN  67          2HD2      ASN  67   5.035   2.356  13.860
  533   HD22  ASN  67          1HD2      ASN  67   4.389   1.443  15.138
  534    H    GLU  68           H        GLU  68   7.280  -1.128  10.219
  535    HA   GLU  68           HA       GLU  68  10.004  -0.209   9.392
  536    HB2  GLU  68           1HB      GLU  68   8.231  -2.362   8.193
  537    HB3  GLU  68           2HB      GLU  68   9.811  -1.878   7.572
  538    HG2  GLU  68           1HG      GLU  68  10.850  -2.527   9.719
  539    HG3  GLU  68           2HG      GLU  68   9.274  -3.023  10.333
  540    H    GLU  69           H        GLU  69  10.184   1.120   7.644
  541    HA   GLU  69           HA       GLU  69   7.713   2.059   6.263
  542    HB2  GLU  69           1HB      GLU  69   8.413   3.788   7.815
  543    HB3  GLU  69           2HB      GLU  69  10.088   3.661   7.296
  544    HG2  GLU  69           1HG      GLU  69   7.956   4.391   5.249
  545    HG3  GLU  69           2HG      GLU  69   8.554   5.633   6.336
  546    H    ALA  70           H        ALA  70   7.846   2.156   4.106
  547    HA   ALA  70           HA       ALA  70  10.438   2.002   2.696
  548    HB1  ALA  70           3HB      ALA  70   9.826  -0.325   3.092
  549    HB2  ALA  70           1HB      ALA  70   9.628   0.045   1.376
  550    HB3  ALA  70           2HB      ALA  70   8.218  -0.029   2.440
  551    H    SER  71           H        SER  71  10.401   3.264   0.977
  552    HA   SER  71           HA       SER  71   7.858   4.421   0.005
  553    HB2  SER  71           1HB      SER  71  10.655   5.052  -1.013
  554    HB3  SER  71           2HB      SER  71   9.182   6.000  -1.239
  555    HG   SER  71           HG       SER  71   9.947   5.365   1.372
  556    H    ILE  72           H        ILE  72   6.975   4.022  -1.962
  557    HA   ILE  72           HA       ILE  72   8.306   2.206  -3.870
  558    HB   ILE  72           HB       ILE  72   6.023   1.030  -4.064
  559   HG12  ILE  72          1HG1      ILE  72   5.633   2.197  -1.282
  560   HG13  ILE  72          2HG1      ILE  72   4.786   2.769  -2.717
  561   HG21  ILE  72          1HG2      ILE  72   7.985  -0.062  -3.110
  562   HG22  ILE  72          2HG2      ILE  72   6.551  -0.503  -2.192
  563   HG23  ILE  72          3HG2      ILE  72   7.672   0.693  -1.545
  564   HD11  ILE  72          3HD1      ILE  72   4.646  -0.050  -1.588
  565   HD12  ILE  72          1HD1      ILE  72   3.835   0.504  -3.053
  566   HD13  ILE  72          2HD1      ILE  72   3.378   1.173  -1.485
  567    H    LYS  73           H        LYS  73   7.587   2.361  -5.962
  568    HA   LYS  73           HA       LYS  73   6.228   4.865  -6.640
  569    HB2  LYS  73           1HB      LYS  73   7.255   4.695  -8.785
  570    HB3  LYS  73           2HB      LYS  73   8.475   4.110  -7.660
  571    HG2  LYS  73           1HG      LYS  73   7.660   1.740  -8.150
  572    HG3  LYS  73           2HG      LYS  73   6.659   2.427  -9.434
  573    HD2  LYS  73           1HD      LYS  73   8.651   3.325 -10.548
  574    HD3  LYS  73           2HD      LYS  73   9.677   2.695  -9.261
  575    HE2  LYS  73           1HE      LYS  73   9.666   1.176 -11.222
  576    HE3  LYS  73           2HE      LYS  73   8.980   0.395  -9.797
  577    HZ1  LYS  73           3HZ      LYS  73   7.782   0.646 -12.244
  578    HZ2  LYS  73           1HZ      LYS  73   7.006   1.815 -11.292
  579    HZ3  LYS  73           2HZ      LYS  73   7.024   0.189 -10.793
  580    H    LEU  74           H        LEU  74   4.224   4.936  -7.707
  581    HA   LEU  74           HA       LEU  74   2.493   2.701  -7.440
  582    HB2  LEU  74           1HB      LEU  74   2.331   5.314  -8.932
  583    HB3  LEU  74           2HB      LEU  74   1.044   4.127  -9.031
  584    HG   LEU  74           HG       LEU  74   0.623   5.901  -7.319
  585   HD11  LEU  74          1HD1      LEU  74  -0.195   3.386  -7.127
  586   HD12  LEU  74          2HD1      LEU  74  -0.417   4.506  -5.786
  587   HD13  LEU  74          3HD1      LEU  74   0.905   3.338  -5.740
  588   HD21  LEU  74          3HD2      LEU  74   3.073   6.131  -6.655
  589   HD22  LEU  74          1HD2      LEU  74   2.877   4.652  -5.707
  590   HD23  LEU  74          2HD2      LEU  74   1.932   6.084  -5.313
  591    H    THR  75           H        THR  75   1.575   1.370  -9.060
  592    HA   THR  75           HA       THR  75   2.908   1.236 -11.707
  593    HB   THR  75           HB       THR  75   3.146  -1.190 -11.477
  594    HG1  THR  75           HG1      THR  75   2.166  -0.756  -8.850
  595   HG21  THR  75          3HG2      THR  75   5.026   0.210 -10.687
  596   HG22  THR  75          1HG2      THR  75   4.886  -1.270  -9.733
  597   HG23  THR  75          2HG2      THR  75   4.305   0.264  -9.081
  598    H    ALA  76           H        ALA  76   1.679   0.002 -13.265
  599    HA   ALA  76           HA       ALA  76  -1.216   0.405 -13.028
  600    HB1  ALA  76           3HB      ALA  76  -1.270  -0.367 -15.370
  601    HB2  ALA  76           1HB      ALA  76   0.439  -0.795 -15.279
  602    HB3  ALA  76           2HB      ALA  76  -0.055   0.891 -15.160
  603    H    ILE  77           H        ILE  77  -2.710  -1.192 -12.625
  604    HA   ILE  77           HA       ILE  77  -1.863  -4.043 -12.622
  605    HB   ILE  77           HB       ILE  77  -2.821  -4.446 -10.468
  606   HG12  ILE  77          1HG1      ILE  77  -4.833  -3.043 -10.493
  607   HG13  ILE  77          2HG1      ILE  77  -3.881  -2.615  -9.083
  608   HG21  ILE  77          1HG2      ILE  77  -0.558  -3.465 -10.455
  609   HG22  ILE  77          2HG2      ILE  77  -1.463  -3.006  -9.016
  610   HG23  ILE  77          3HG2      ILE  77  -1.254  -1.848 -10.323
  611   HD11  ILE  77          3HD1      ILE  77  -4.282  -1.047 -11.631
  612   HD12  ILE  77          1HD1      ILE  77  -2.896  -0.718 -10.588
  613   HD13  ILE  77          2HD1      ILE  77  -4.535  -0.535  -9.964
  614    H    ASP  78           H        ASP  78  -4.053  -1.730 -13.615
  615    HA   ASP  78           HA       ASP  78  -6.123  -3.769 -14.304
  616    HB2  ASP  78           1HB      ASP  78  -6.558  -0.888 -13.439
  617    HB3  ASP  78           2HB      ASP  78  -7.816  -1.971 -14.029
  618    H    LYS  79           H        LYS  79  -7.057  -3.556 -16.324
  619    HA   LYS  79           HA       LYS  79  -5.550  -2.778 -18.473
  620    HB2  LYS  79           1HB      LYS  79  -8.584  -2.725 -18.391
  621    HB3  LYS  79           2HB      LYS  79  -7.577  -3.000 -19.804
  622    HG2  LYS  79           1HG      LYS  79  -7.758  -4.853 -17.391
  623    HG3  LYS  79           2HG      LYS  79  -8.576  -5.099 -18.926
  624    HD2  LYS  79           1HD      LYS  79  -6.321  -5.152 -20.057
  625    HD3  LYS  79           2HD      LYS  79  -5.570  -5.085 -18.466
  626    HE2  LYS  79           1HE      LYS  79  -7.495  -7.251 -19.356
  627    HE3  LYS  79           2HE      LYS  79  -5.741  -7.412 -19.303
  628    HZ1  LYS  79           3HZ      LYS  79  -6.739  -8.300 -17.305
  629    HZ2  LYS  79           1HZ      LYS  79  -7.502  -6.821 -16.985
  630    HZ3  LYS  79           2HZ      LYS  79  -5.809  -6.929 -16.930
  631    H    LYS  80           H        LYS  80  -7.745  -0.769 -16.596
  632    HA   LYS  80           HA       LYS  80  -7.674   1.455 -18.461
  633    HB2  LYS  80           1HB      LYS  80  -8.899   2.666 -16.671
  634    HB3  LYS  80           2HB      LYS  80  -9.654   1.124 -17.067
  635    HG2  LYS  80           1HG      LYS  80  -8.471   0.095 -15.118
  636    HG3  LYS  80           2HG      LYS  80  -7.833   1.669 -14.702
  637    HD2  LYS  80           1HD      LYS  80 -10.783   0.973 -14.851
  638    HD3  LYS  80           2HD      LYS  80  -9.850   1.071 -13.364
  639    HE2  LYS  80           1HE      LYS  80  -9.308   3.516 -14.077
  640    HE3  LYS  80           2HE      LYS  80 -10.647   3.339 -15.214
  641    HZ1  LYS  80           3HZ      LYS  80 -11.447   4.249 -13.167
  642    HZ2  LYS  80           1HZ      LYS  80 -10.769   2.979 -12.272
  643    HZ3  LYS  80           2HZ      LYS  80 -12.057   2.673 -13.336
  644    H    GLY  81           H        GLY  81  -5.279   0.218 -16.738
  645    HA2  GLY  81           1HA      GLY  81  -3.284   1.003 -15.917
  646    HA3  GLY  81           2HA      GLY  81  -3.598   2.432 -16.892
  647    H    THR  82           H        THR  82  -5.313   1.157 -14.001
  648    HA   THR  82           HA       THR  82  -5.400   3.808 -12.822
  649    HB   THR  82           HB       THR  82  -6.349   1.090 -11.916
  650    HG1  THR  82           HG1      THR  82  -8.325   2.185 -12.109
  651   HG21  THR  82          3HG2      THR  82  -7.469   2.509 -10.019
  652   HG22  THR  82          1HG2      THR  82  -6.181   3.683 -10.313
  653   HG23  THR  82          2HG2      THR  82  -5.785   2.043  -9.784
  654    HA   PRO  83           HA       PRO  83  -1.251   3.156 -10.867
  655    HB2  PRO  83           1HB      PRO  83  -2.238   5.404  -9.096
  656    HB3  PRO  83           2HB      PRO  83  -0.690   5.266  -9.952
  657    HG2  PRO  83           1HG      PRO  83  -2.610   6.880 -10.833
  658    HG3  PRO  83           2HG      PRO  83  -1.569   5.998 -11.961
  659    HD2  PRO  83           1HD      PRO  83  -4.444   5.481 -11.221
  660    HD3  PRO  83           2HD      PRO  83  -3.599   5.206 -12.772
  661    H    GLY  84           H        GLY  84  -0.939   1.570  -9.366
  662    HA2  GLY  84           1HA      GLY  84  -1.822   1.588  -6.700
  663    HA3  GLY  84           2HA      GLY  84  -2.995   0.645  -7.612
  664    H    ILE  85           H        ILE  85  -1.785  -0.630  -5.664
  665    HA   ILE  85           HA       ILE  85   0.435  -2.260  -6.787
  666    HB   ILE  85           HB       ILE  85   0.197  -3.247  -4.270
  667   HG12  ILE  85          1HG1      ILE  85  -1.820  -1.488  -3.975
  668   HG13  ILE  85          2HG1      ILE  85  -0.734  -1.808  -2.638
  669   HG21  ILE  85          1HG2      ILE  85   1.919  -1.504  -3.527
  670   HG22  ILE  85          2HG2      ILE  85   1.660  -0.706  -5.077
  671   HG23  ILE  85          3HG2      ILE  85   2.284  -2.351  -5.031
  672   HD11  ILE  85          3HD1      ILE  85  -0.126   0.457  -4.541
  673   HD12  ILE  85          1HD1      ILE  85   0.358   0.249  -2.855
  674   HD13  ILE  85          2HD1      ILE  85  -1.312   0.662  -3.247
  675    H    GLY  86           H        GLY  86   0.107  -4.706  -6.100
  676    HA2  GLY  86           1HA      GLY  86  -2.552  -5.553  -7.091
  677    HA3  GLY  86           2HA      GLY  86  -1.045  -6.456  -7.213
  678    H    ILE  87           H        ILE  87  -3.487  -5.326  -5.010
  679    HA   ILE  87           HA       ILE  87  -3.120  -7.712  -3.312
  680    HB   ILE  87           HB       ILE  87  -2.894  -6.561  -1.251
  681   HG12  ILE  87          1HG1      ILE  87  -4.465  -4.718  -1.439
  682   HG13  ILE  87          2HG1      ILE  87  -2.893  -4.017  -1.076
  683   HG21  ILE  87          1HG2      ILE  87  -0.817  -5.309  -1.471
  684   HG22  ILE  87          2HG2      ILE  87  -1.140  -5.014  -3.179
  685   HG23  ILE  87          3HG2      ILE  87  -0.810  -6.653  -2.617
  686   HD11  ILE  87          3HD1      ILE  87  -2.668  -3.751  -3.666
  687   HD12  ILE  87          1HD1      ILE  87  -3.727  -2.647  -2.783
  688   HD13  ILE  87          2HD1      ILE  87  -4.416  -3.996  -3.673
  689    H    THR  88           H        THR  88  -4.843  -7.870  -1.673
  690    HA   THR  88           HA       THR  88  -7.454  -6.769  -2.585
  691    HB   THR  88           HB       THR  88  -6.776  -9.649  -1.882
  692    HG1  THR  88           HG1      THR  88  -6.445  -8.952  -4.029
  693   HG21  THR  88          3HG2      THR  88  -8.875  -9.276  -0.774
  694   HG22  THR  88          1HG2      THR  88  -9.298  -9.991  -2.332
  695   HG23  THR  88          2HG2      THR  88  -9.471  -8.254  -2.087
  696    H    LEU  89           H        LEU  89  -8.674  -5.952  -0.985
  697    HA   LEU  89           HA       LEU  89  -7.727  -6.112   1.812
  698    HB2  LEU  89           1HB      LEU  89  -9.781  -4.213   0.627
  699    HB3  LEU  89           2HB      LEU  89  -8.967  -4.087   2.177
  700    HG   LEU  89           HG       LEU  89  -7.885  -2.517   0.729
  701   HD11  LEU  89          1HD1      LEU  89  -5.607  -3.145   0.821
  702   HD12  LEU  89          2HD1      LEU  89  -5.972  -4.856   0.641
  703   HD13  LEU  89          3HD1      LEU  89  -6.377  -4.023   2.140
  704   HD21  LEU  89          3HD2      LEU  89  -8.696  -3.908  -1.455
  705   HD22  LEU  89          1HD2      LEU  89  -7.013  -4.449  -1.413
  706   HD23  LEU  89          2HD2      LEU  89  -7.389  -2.731  -1.501
  707    H    VAL  90           H        VAL  90  -9.332  -6.313   3.468
  708    HA   VAL  90           HA       VAL  90 -11.554  -8.169   2.733
  709    HB   VAL  90           HB       VAL  90 -11.008  -9.493   4.534
  710   HG11  VAL  90          1HG1      VAL  90  -8.702  -9.417   5.311
  711   HG12  VAL  90          2HG1      VAL  90  -8.543  -7.739   4.778
  712   HG13  VAL  90          3HG1      VAL  90  -8.773  -9.020   3.597
  713   HG21  VAL  90          3HG2      VAL  90 -10.609  -6.982   6.215
  714   HG22  VAL  90          1HG2      VAL  90 -10.440  -8.629   6.837
  715   HG23  VAL  90          2HG2      VAL  90 -11.999  -8.066   6.245
  716    H    ASP  91           H        ASP  91 -13.581  -7.967   3.670
  717    HA   ASP  91           HA       ASP  91 -14.287  -5.783   5.405
  718    HB2  ASP  91           1HB      ASP  91 -15.731  -4.600   3.796
  719    HB3  ASP  91           2HB      ASP  91 -14.037  -4.537   3.313
  720    H    ASP  92           H        ASP  92 -14.815  -8.016   6.279
  721    HA   ASP  92           HA       ASP  92 -16.755  -9.750   5.428
  722    HB2  ASP  92           1HB      ASP  92 -17.256 -10.066   7.930
  723    HB3  ASP  92           2HB      ASP  92 -15.565 -10.226   7.457
  724    H    LEU  93           H        LEU  93 -17.755  -7.407   7.932
  725    HA   LEU  93           HA       LEU  93 -19.757  -6.334   8.266
  726    HB2  LEU  93           1HB      LEU  93 -19.681  -6.033   5.248
  727    HB3  LEU  93           2HB      LEU  93 -20.507  -4.980   6.393
  728    HG   LEU  93           HG       LEU  93 -17.496  -5.384   6.174
  729   HD11  LEU  93          1HD1      LEU  93 -18.448  -4.089   4.314
  730   HD12  LEU  93          2HD1      LEU  93 -17.487  -3.050   5.366
  731   HD13  LEU  93          3HD1      LEU  93 -19.246  -3.010   5.459
  732   HD21  LEU  93          3HD2      LEU  93 -19.167  -3.729   8.110
  733   HD22  LEU  93          1HD2      LEU  93 -17.482  -3.324   7.765
  734   HD23  LEU  93          2HD2      LEU  93 -17.882  -4.880   8.478
  735    H    GLU  94           H        GLU  94 -20.430  -8.744   8.678
  736    HA   GLU  94           HA       GLU  94 -22.052 -10.356   8.598
  737    HB2  GLU  94           1HB      GLU  94 -23.612  -8.189   7.165
  738    HB3  GLU  94           2HB      GLU  94 -24.296  -9.641   7.882
  739    HG2  GLU  94           1HG      GLU  94 -23.484  -8.945  10.103
  740    HG3  GLU  94           2HG      GLU  94 -22.768  -7.501   9.396
  741    H    HIS  95           H        HIS  95 -21.773 -12.119   7.364
  742    HA   HIS  95           HA       HIS  95 -21.314 -11.926   4.477
  743    HB2  HIS  95           1HB      HIS  95 -21.366 -14.325   6.339
  744    HB3  HIS  95           2HB      HIS  95 -20.818 -14.331   4.661
  745    HD1  HIS  95           HD1      HIS  95 -18.609 -13.003   4.125
  746    HD2  HIS  95           HD2      HIS  95 -19.501 -13.287   8.188
  747    HE1  HIS  95           HE1      HIS  95 -16.512 -12.321   5.369
  748    HE2  HIS  95           HE2      HIS  95 -17.036 -12.488   7.847
  749    H    HIS  96           H        HIS  96 -24.001 -12.151   6.457
  750    HA   HIS  96           HA       HIS  96 -26.192 -12.799   6.147
  751    HB2  HIS  96           1HB      HIS  96 -25.430 -12.382   3.240
  752    HB3  HIS  96           2HB      HIS  96 -27.073 -12.414   3.883
  753    HD1  HIS  96           HD1      HIS  96 -27.521 -10.523   5.831
  754    HD2  HIS  96           HD2      HIS  96 -24.292  -9.858   3.279
  755    HE1  HIS  96           HE1      HIS  96 -26.942  -8.067   6.037
  756    HE2  HIS  96           HE2      HIS  96 -24.976  -7.643   4.488
  757    H    HIS  97           H        HIS  97 -24.378 -14.942   6.420
  758    HA   HIS  97           HA       HIS  97 -24.677 -16.968   4.460
  759    HB2  HIS  97           1HB      HIS  97 -23.891 -18.488   6.255
  760    HB3  HIS  97           2HB      HIS  97 -22.904 -17.032   6.151
  761    HD1  HIS  97           HD1      HIS  97 -25.212 -18.874   8.398
  762    HD2  HIS  97           HD2      HIS  97 -23.376 -15.131   8.308
  763    HE1  HIS  97           HE1      HIS  97 -25.474 -17.894  10.716
  764    HE2  HIS  97           HE2      HIS  97 -24.359 -15.613  10.682
  765    H    HIS  98           H        HIS  98 -26.009 -18.801   4.430
  766    HA   HIS  98           HA       HIS  98 -28.327 -18.976   6.241
  767    HB2  HIS  98           1HB      HIS  98 -28.607 -18.698   3.228
  768    HB3  HIS  98           2HB      HIS  98 -29.918 -19.039   4.357
  769    HD1  HIS  98           HD1      HIS  98 -29.926 -17.097   6.443
  770    HD2  HIS  98           HD2      HIS  98 -28.488 -15.999   2.689
  771    HE1  HIS  98           HE1      HIS  98 -30.034 -14.572   6.349
  772    HE2  HIS  98           HE2      HIS  98 -29.161 -13.883   4.067
  773    H    HIS  99           H        HIS  99 -26.391 -20.281   3.600
  774    HA   HIS  99           HA       HIS  99 -27.589 -22.839   3.443
  775    HB2  HIS  99           1HB      HIS  99 -26.071 -21.928   1.717
  776    HB3  HIS  99           2HB      HIS  99 -24.727 -22.025   2.852
  777    HD1  HIS  99           HD1      HIS  99 -27.271 -24.328   1.187
  778    HD2  HIS  99           HD2      HIS  99 -23.460 -24.496   2.881
  779    HE1  HIS  99           HE1      HIS  99 -26.414 -26.678   0.807
  780    HE2  HIS  99           HE2      HIS  99 -24.095 -26.806   1.830
  781    H    HIS 100           H        HIS 100 -24.797 -21.655   5.320
  782    HA   HIS 100           HA       HIS 100 -23.668 -22.523   7.109
  783    HB2  HIS 100           1HB      HIS 100 -25.935 -22.354   8.147
  784    HB3  HIS 100           2HB      HIS 100 -26.262 -24.011   7.655
  785    HD1  HIS 100           HD1      HIS 100 -24.663 -25.883   8.721
  786    HD2  HIS 100           HD2      HIS 100 -24.417 -22.116  10.491
  787    HE1  HIS 100           HE1      HIS 100 -23.474 -26.208  10.933
  788    HE2  HIS 100           HE2      HIS 100 -23.314 -23.922  12.026
  Start of MODEL    3
    1    H1   MET   1           1H       MET   1 -10.997   1.828  28.037
    2    H2   MET   1           2H       MET   1 -10.815   0.433  28.990
    3    H3   MET   1           3H       MET   1 -12.316   1.224  28.915
    4    HA   MET   1           HA       MET   1 -11.455  -0.878  27.345
    5    HB2  MET   1           1HB      MET   1 -13.777   1.060  27.056
    6    HB3  MET   1           2HB      MET   1 -13.671  -0.492  26.229
    7    HG2  MET   1           1HG      MET   1 -13.542  -1.649  28.419
    8    HG3  MET   1           2HG      MET   1 -13.691  -0.098  29.242
    9    HE1  MET   1           3HE      MET   1 -15.716   1.627  28.383
   10    HE2  MET   1           1HE      MET   1 -15.879   0.863  29.970
   11    HE3  MET   1           2HE      MET   1 -17.266   0.975  28.892
   12    H    VAL   2           H        VAL   2 -12.716   2.104  25.875
   13    HA   VAL   2           HA       VAL   2 -11.291   1.708  23.429
   14    HB   VAL   2           HB       VAL   2 -12.108   4.005  22.873
   15   HG11  VAL   2          1HG1      VAL   2 -14.513   3.464  22.998
   16   HG12  VAL   2          2HG1      VAL   2 -14.175   2.213  24.195
   17   HG13  VAL   2          3HG1      VAL   2 -13.572   2.042  22.547
   18   HG21  VAL   2          3HG2      VAL   2 -13.561   5.171  24.535
   19   HG22  VAL   2          1HG2      VAL   2 -11.902   5.036  25.113
   20   HG23  VAL   2          2HG2      VAL   2 -13.143   3.952  25.738
   21    H    LYS   3           H        LYS   3  -9.484   2.777  22.607
   22    HA   LYS   3           HA       LYS   3  -8.003   4.687  24.243
   23    HB2  LYS   3           1HB      LYS   3  -7.328   2.466  25.150
   24    HB3  LYS   3           2HB      LYS   3  -6.765   2.007  23.545
   25    HG2  LYS   3           1HG      LYS   3  -5.120   3.843  23.562
   26    HG3  LYS   3           2HG      LYS   3  -5.728   4.390  25.126
   27    HD2  LYS   3           1HD      LYS   3  -5.065   2.222  26.131
   28    HD3  LYS   3           2HD      LYS   3  -4.441   1.695  24.568
   29    HE2  LYS   3           1HE      LYS   3  -3.459   4.095  26.146
   30    HE3  LYS   3           2HE      LYS   3  -2.616   2.554  25.985
   31    HZ1  LYS   3           3HZ      LYS   3  -2.952   3.070  23.452
   32    HZ2  LYS   3           1HZ      LYS   3  -1.642   3.720  24.311
   33    HZ3  LYS   3           2HZ      LYS   3  -3.015   4.674  24.007
   34    H    VAL   4           H        VAL   4  -6.901   2.468  21.742
   35    HA   VAL   4           HA       VAL   4  -5.694   4.555  20.205
   36    HB   VAL   4           HB       VAL   4  -6.346   1.704  19.375
   37   HG11  VAL   4          1HG1      VAL   4  -5.784   3.104  17.435
   38   HG12  VAL   4          2HG1      VAL   4  -4.420   2.052  17.796
   39   HG13  VAL   4          3HG1      VAL   4  -4.374   3.748  18.276
   40   HG21  VAL   4          3HG2      VAL   4  -4.996   1.778  21.435
   41   HG22  VAL   4          1HG2      VAL   4  -3.859   2.886  20.667
   42   HG23  VAL   4          2HG2      VAL   4  -4.012   1.230  20.082
   43    H    THR   5           H        THR   5  -6.520   5.775  18.600
   44    HA   THR   5           HA       THR   5  -9.326   5.838  18.083
   45    HB   THR   5           HB       THR   5  -8.760   7.607  16.478
   46    HG1  THR   5           HG1      THR   5  -6.069   7.483  17.000
   47   HG21  THR   5          3HG2      THR   5  -7.573   9.115  18.024
   48   HG22  THR   5          1HG2      THR   5  -7.072   7.733  18.997
   49   HG23  THR   5          2HG2      THR   5  -8.781   8.160  18.882
   50    H    TYR   6           H        TYR   6  -7.603   6.188  15.149
   51    HA   TYR   6           HA       TYR   6  -9.126   4.099  13.871
   52    HB2  TYR   6           1HB      TYR   6  -6.843   5.823  12.845
   53    HB3  TYR   6           2HB      TYR   6  -7.880   4.804  11.846
   54    HD1  TYR   6           HD2      TYR   6 -10.261   5.380  11.486
   55    HD2  TYR   6           HD1      TYR   6  -7.719   7.898  13.862
   56    HE1  TYR   6           HE2      TYR   6 -11.951   7.189  11.374
   57    HE2  TYR   6           HE1      TYR   6  -9.408   9.708  13.750
   58    HH   TYR   6           HH       TYR   6 -11.312  10.342  12.089
   59    H    ASP   7           H        ASP   7  -8.573   2.020  13.713
   60    HA   ASP   7           HA       ASP   7  -6.119   0.976  14.749
   61    HB2  ASP   7           1HB      ASP   7  -8.297  -0.332  13.088
   62    HB3  ASP   7           2HB      ASP   7  -7.003  -1.196  13.918
   63    H    GLY   8           H        GLY   8  -7.394   0.218  11.530
   64    HA2  GLY   8           1HA      GLY   8  -5.530   1.353   9.855
   65    HA3  GLY   8           2HA      GLY   8  -4.762  -0.133  10.420
   66    H    VAL   9           H        VAL   9  -5.005  -0.366   7.929
   67    HA   VAL   9           HA       VAL   9  -7.594  -1.726   7.273
   68    HB   VAL   9           HB       VAL   9  -6.923  -1.321   4.878
   69   HG11  VAL   9          1HG1      VAL   9  -8.500   0.184   6.032
   70   HG12  VAL   9          2HG1      VAL   9  -7.507   1.076   4.881
   71   HG13  VAL   9          3HG1      VAL   9  -7.151   1.163   6.608
   72   HG21  VAL   9          3HG2      VAL   9  -4.774   0.408   6.152
   73   HG22  VAL   9          1HG2      VAL   9  -5.165   0.379   4.434
   74   HG23  VAL   9          2HG2      VAL   9  -4.494  -1.048   5.206
   75    H    TYR  10           H        TYR  10  -7.524  -3.853   6.914
   76    HA   TYR  10           HA       TYR  10  -4.981  -5.283   7.202
   77    HB2  TYR  10           1HB      TYR  10  -7.912  -6.022   7.175
   78    HB3  TYR  10           2HB      TYR  10  -6.705  -7.287   7.007
   79    HD1  TYR  10           HD2      TYR  10  -7.294  -4.229   9.160
   80    HD2  TYR  10           HD1      TYR  10  -6.116  -8.363   9.042
   81    HE1  TYR  10           HE2      TYR  10  -7.026  -4.222  11.615
   82    HE2  TYR  10           HE1      TYR  10  -5.870  -8.359  11.500
   83    HH   TYR  10           HH       TYR  10  -5.744  -5.550  13.334
   84    H    VAL  11           H        VAL  11  -3.956  -6.379   5.640
   85    HA   VAL  11           HA       VAL  11  -4.805  -6.025   2.845
   86    HB   VAL  11           HB       VAL  11  -2.247  -7.191   3.993
   87   HG11  VAL  11          1HG1      VAL  11  -1.402  -6.770   1.642
   88   HG12  VAL  11          2HG1      VAL  11  -3.060  -6.404   1.171
   89   HG13  VAL  11          3HG1      VAL  11  -2.640  -8.022   1.722
   90   HG21  VAL  11          3HG2      VAL  11  -2.557  -4.800   4.547
   91   HG22  VAL  11          1HG2      VAL  11  -2.861  -4.444   2.847
   92   HG23  VAL  11          2HG2      VAL  11  -1.271  -5.007   3.362
   93    H    LEU  12           H        LEU  12  -5.774  -7.623   1.712
   94    HA   LEU  12           HA       LEU  12  -6.332 -10.168   2.956
   95    HB2  LEU  12           1HB      LEU  12  -8.049  -8.937   1.662
   96    HB3  LEU  12           2HB      LEU  12  -7.072  -9.122   0.214
   97    HG   LEU  12           HG       LEU  12  -7.296 -11.597   0.379
   98   HD11  LEU  12          1HD1      LEU  12  -9.204 -12.392   2.029
   99   HD12  LEU  12          2HD1      LEU  12  -8.791 -10.936   2.932
  100   HD13  LEU  12          3HD1      LEU  12  -7.570 -12.177   2.641
  101   HD21  LEU  12          3HD2      LEU  12  -9.941 -10.113   0.486
  102   HD22  LEU  12          1HD2      LEU  12  -9.691 -11.713  -0.211
  103   HD23  LEU  12          2HD2      LEU  12  -8.925 -10.304  -0.942
  104    H    SER  13           H        SER  13  -4.553  -9.011   0.117
  105    HA   SER  13           HA       SER  13  -2.722 -11.256   0.212
  106    HB2  SER  13           1HB      SER  13  -4.631 -12.323  -0.914
  107    HB3  SER  13           2HB      SER  13  -4.652 -11.037  -2.116
  108    HG   SER  13           HG       SER  13  -3.428 -12.608  -3.008
  109    H    VAL  14           H        VAL  14  -1.035 -11.106  -1.275
  110    HA   VAL  14           HA       VAL  14  -0.727  -8.584  -2.804
  111    HB   VAL  14           HB       VAL  14   0.383  -8.084  -0.717
  112   HG11  VAL  14          1HG1      VAL  14   1.711 -10.797  -0.961
  113   HG12  VAL  14          2HG1      VAL  14   0.489 -10.330   0.222
  114   HG13  VAL  14          3HG1      VAL  14   2.085  -9.589   0.260
  115   HG21  VAL  14          3HG2      VAL  14   2.676  -9.070  -2.474
  116   HG22  VAL  14          1HG2      VAL  14   2.625  -7.631  -1.456
  117   HG23  VAL  14          2HG2      VAL  14   1.692  -7.696  -2.951
  118    H    LYS  15           H        LYS  15   0.214  -8.873  -4.729
  119    HA   LYS  15           HA       LYS  15   0.777 -11.566  -5.666
  120    HB2  LYS  15           1HB      LYS  15   1.262  -8.951  -7.143
  121    HB3  LYS  15           2HB      LYS  15   0.999 -10.547  -7.835
  122    HG2  LYS  15           1HG      LYS  15  -1.068  -8.952  -6.273
  123    HG3  LYS  15           2HG      LYS  15  -1.014  -9.115  -8.024
  124    HD2  LYS  15           1HD      LYS  15  -1.274 -11.602  -7.755
  125    HD3  LYS  15           2HD      LYS  15  -1.466 -11.362  -6.021
  126    HE2  LYS  15           1HE      LYS  15  -3.432  -9.953  -6.395
  127    HE3  LYS  15           2HE      LYS  15  -3.253 -10.155  -8.140
  128    HZ1  LYS  15           3HZ      LYS  15  -4.739 -11.747  -6.584
  129    HZ2  LYS  15           1HZ      LYS  15  -3.282 -12.614  -6.619
  130    HZ3  LYS  15           2HZ      LYS  15  -4.072 -12.222  -8.071
  131    H    GLU  16           H        GLU  16   2.810 -12.158  -6.725
  132    HA   GLU  16           HA       GLU  16   5.133 -11.236  -5.126
  133    HB2  GLU  16           1HB      GLU  16   4.732 -13.701  -6.841
  134    HB3  GLU  16           2HB      GLU  16   6.186 -13.333  -5.910
  135    HG2  GLU  16           1HG      GLU  16   4.854 -13.310  -3.828
  136    HG3  GLU  16           2HG      GLU  16   3.401 -13.688  -4.749
  137    H    ASP  17           H        ASP  17   3.799 -10.638  -8.146
  138    HA   ASP  17           HA       ASP  17   6.430 -10.134  -9.476
  139    HB2  ASP  17           1HB      ASP  17   5.133 -10.042 -11.565
  140    HB3  ASP  17           2HB      ASP  17   4.890 -11.574 -10.729
  141    H    VAL  18           H        VAL  18   5.180  -8.434  -7.391
  142    HA   VAL  18           HA       VAL  18   5.015  -5.865  -8.898
  143    HB   VAL  18           HB       VAL  18   3.315  -5.153  -7.154
  144   HG11  VAL  18          1HG1      VAL  18   1.444  -6.422  -8.131
  145   HG12  VAL  18          2HG1      VAL  18   2.579  -7.611  -8.771
  146   HG13  VAL  18          3HG1      VAL  18   2.600  -5.955  -9.377
  147   HG21  VAL  18          3HG2      VAL  18   2.228  -6.925  -5.815
  148   HG22  VAL  18          1HG2      VAL  18   3.931  -6.762  -5.392
  149   HG23  VAL  18          2HG2      VAL  18   3.401  -8.088  -6.417
  150    HA   PRO  19           HA       PRO  19   8.274  -4.471  -6.216
  151    HB2  PRO  19           1HB      PRO  19   7.427  -1.909  -5.423
  152    HB3  PRO  19           2HB      PRO  19   8.145  -2.278  -7.008
  153    HG2  PRO  19           1HG      PRO  19   5.222  -2.136  -6.263
  154    HG3  PRO  19           2HG      PRO  19   6.062  -1.387  -7.639
  155    HD2  PRO  19           1HD      PRO  19   4.722  -3.626  -8.058
  156    HD3  PRO  19           2HD      PRO  19   6.343  -3.488  -8.758
  157    H    ALA  20           H        ALA  20   5.018  -4.545  -5.017
  158    HA   ALA  20           HA       ALA  20   5.484  -3.980  -2.284
  159    HB1  ALA  20           3HB      ALA  20   3.248  -4.662  -1.974
  160    HB2  ALA  20           1HB      ALA  20   3.385  -5.990  -3.129
  161    HB3  ALA  20           2HB      ALA  20   3.256  -4.346  -3.709
  162    H    ALA  21           H        ALA  21   6.057  -6.803  -4.222
  163    HA   ALA  21           HA       ALA  21   6.193  -8.756  -2.183
  164    HB1  ALA  21           3HB      ALA  21   5.985  -9.044  -4.737
  165    HB2  ALA  21           1HB      ALA  21   7.038 -10.186  -3.901
  166    HB3  ALA  21           2HB      ALA  21   7.729  -8.835  -4.808
  167    H    GLY  22           H        GLY  22   7.697  -9.059  -0.686
  168    HA2  GLY  22           1HA      GLY  22   9.906  -9.394   0.119
  169    HA3  GLY  22           2HA      GLY  22  10.536  -8.354  -1.152
  170    H    ILE  23           H        ILE  23   8.122  -6.523  -0.314
  171    HA   ILE  23           HA       ILE  23   9.534  -5.134   1.929
  172    HB   ILE  23           HB       ILE  23   7.785  -3.970  -0.267
  173   HG12  ILE  23          1HG1      ILE  23  10.804  -3.712   0.155
  174   HG13  ILE  23          2HG1      ILE  23  10.074  -4.811  -1.011
  175   HG21  ILE  23          1HG2      ILE  23   9.393  -2.657   1.964
  176   HG22  ILE  23          2HG2      ILE  23   7.637  -2.657   1.814
  177   HG23  ILE  23          3HG2      ILE  23   8.613  -1.778   0.653
  178   HD11  ILE  23          3HD1      ILE  23   8.976  -2.882  -2.120
  179   HD12  ILE  23          1HD1      ILE  23  10.731  -2.757  -2.143
  180   HD13  ILE  23          2HD1      ILE  23   9.791  -1.792  -1.004
  181    H    LEU  24           H        LEU  24   6.297  -5.700   0.497
  182    HA   LEU  24           HA       LEU  24   5.060  -5.347   3.187
  183    HB2  LEU  24           1HB      LEU  24   4.072  -4.880   0.362
  184    HB3  LEU  24           2HB      LEU  24   2.921  -5.053   1.684
  185    HG   LEU  24           HG       LEU  24   5.197  -3.023   1.918
  186   HD11  LEU  24          1HD1      LEU  24   4.119  -2.500  -0.223
  187   HD12  LEU  24          2HD1      LEU  24   3.699  -1.284   0.981
  188   HD13  LEU  24          3HD1      LEU  24   2.531  -2.534   0.544
  189   HD21  LEU  24          3HD2      LEU  24   2.353  -3.077   3.028
  190   HD22  LEU  24          1HD2      LEU  24   3.579  -1.868   3.386
  191   HD23  LEU  24          2HD2      LEU  24   3.792  -3.519   3.938
  192    H    HIS  25           H        HIS  25   3.606  -6.837   3.919
  193    HA   HIS  25           HA       HIS  25   3.133  -9.311   2.385
  194    HB2  HIS  25           1HB      HIS  25   3.769 -10.616   4.528
  195    HB3  HIS  25           2HB      HIS  25   5.098  -9.975   3.565
  196    HD1  HIS  25           HD1      HIS  25   6.096  -7.615   4.400
  197    HD2  HIS  25           HD2      HIS  25   3.739  -9.671   7.156
  198    HE1  HIS  25           HE1      HIS  25   6.616  -6.627   6.668
  199    HE2  HIS  25           HE2      HIS  25   5.195  -7.866   8.362
  200    H    ALA  26           H        ALA  26   1.430 -10.592   3.224
  201    HA   ALA  26           HA       ALA  26  -0.846  -9.167   3.946
  202    HB1  ALA  26           3HB      ALA  26  -0.298 -12.112   4.384
  203    HB2  ALA  26           1HB      ALA  26  -0.904 -11.391   2.893
  204    HB3  ALA  26           2HB      ALA  26  -1.892 -11.354   4.354
  205    H    GLY  27           H        GLY  27  -1.954  -8.803   5.845
  206    HA2  GLY  27           1HA      GLY  27  -2.428  -8.989   8.150
  207    HA3  GLY  27           2HA      GLY  27  -0.864  -9.742   8.424
  208    H    ASP  28           H        ASP  28  -0.163  -7.199   6.453
  209    HA   ASP  28           HA       ASP  28   0.839  -5.570   8.654
  210    HB2  ASP  28           1HB      ASP  28   0.993  -5.234   5.644
  211    HB3  ASP  28           2HB      ASP  28   1.848  -4.238   6.822
  212    H    LEU  29           H        LEU  29  -0.286  -3.927   9.553
  213    HA   LEU  29           HA       LEU  29  -2.652  -2.831   8.148
  214    HB2  LEU  29           1HB      LEU  29  -1.801  -2.269  11.016
  215    HB3  LEU  29           2HB      LEU  29  -3.392  -2.065  10.293
  216    HG   LEU  29           HG       LEU  29  -1.986  -4.677  10.847
  217   HD11  LEU  29          1HD1      LEU  29  -3.861  -5.062  12.397
  218   HD12  LEU  29          2HD1      LEU  29  -4.521  -3.480  11.986
  219   HD13  LEU  29          3HD1      LEU  29  -2.974  -3.598  12.823
  220   HD21  LEU  29          3HD2      LEU  29  -3.167  -5.110   8.837
  221   HD22  LEU  29          1HD2      LEU  29  -4.529  -4.096   9.306
  222   HD23  LEU  29          2HD2      LEU  29  -4.276  -5.661  10.087
  223    H    ILE  30           H        ILE  30  -2.417  -0.956   7.039
  224    HA   ILE  30           HA       ILE  30  -0.048   0.640   7.303
  225    HB   ILE  30           HB       ILE  30  -2.578   1.390   5.765
  226   HG12  ILE  30          1HG1      ILE  30  -2.065  -0.916   5.129
  227   HG13  ILE  30          2HG1      ILE  30  -1.613   0.161   3.819
  228   HG21  ILE  30          1HG2      ILE  30  -0.880   2.451   4.235
  229   HG22  ILE  30          2HG2      ILE  30   0.381   2.003   5.372
  230   HG23  ILE  30          3HG2      ILE  30  -0.876   3.139   5.858
  231   HD11  ILE  30          3HD1      ILE  30   0.165  -1.402   4.027
  232   HD12  ILE  30          1HD1      ILE  30   0.186  -1.265   5.778
  233   HD13  ILE  30          2HD1      ILE  30   0.778   0.065   4.775
  234    H    THR  31           H        THR  31   0.228   2.349   8.600
  235    HA   THR  31           HA       THR  31  -1.853   3.164  10.453
  236    HB   THR  31           HB       THR  31  -0.095   4.674  11.336
  237    HG1  THR  31           HG1      THR  31   1.032   5.261   9.569
  238   HG21  THR  31          3HG2      THR  31  -0.127   2.367  12.128
  239   HG22  THR  31          1HG2      THR  31   1.547   2.885  11.938
  240   HG23  THR  31          2HG2      THR  31   0.803   1.833  10.733
  241    H    GLU  32           H        GLU  32   0.037   4.824   7.908
  242    HA   GLU  32           HA       GLU  32  -2.260   6.471   7.188
  243    HB2  GLU  32           1HB      GLU  32  -0.215   7.454   9.048
  244    HB3  GLU  32           2HB      GLU  32  -0.168   8.422   7.583
  245    HG2  GLU  32           1HG      GLU  32  -2.580   8.870   7.800
  246    HG3  GLU  32           2HG      GLU  32  -2.650   7.870   9.245
  247    H    ILE  33           H        ILE  33  -1.728   7.943   5.406
  248    HA   ILE  33           HA       ILE  33   0.520   7.029   3.699
  249    HB   ILE  33           HB       ILE  33  -2.432   6.777   3.211
  250   HG12  ILE  33          1HG1      ILE  33  -0.876   4.832   3.403
  251   HG13  ILE  33          2HG1      ILE  33  -1.772   4.842   1.890
  252   HG21  ILE  33          1HG2      ILE  33  -2.167   6.974   0.712
  253   HG22  ILE  33          2HG2      ILE  33  -0.625   7.773   0.986
  254   HG23  ILE  33          3HG2      ILE  33  -2.120   8.514   1.560
  255   HD11  ILE  33          3HD1      ILE  33   1.075   4.825   2.310
  256   HD12  ILE  33          1HD1      ILE  33   0.683   6.254   1.372
  257   HD13  ILE  33          2HD1      ILE  33   0.201   4.663   0.799
  258    H    ASP  34           H        ASP  34   1.649   8.624   2.943
  259    HA   ASP  34           HA       ASP  34   2.386  10.774   2.529
  260    HB2  ASP  34           1HB      ASP  34   0.912  10.311   0.560
  261    HB3  ASP  34           2HB      ASP  34  -0.417  11.101   1.402
  262    H    GLY  35           H        GLY  35   0.675  10.238   5.062
  263    HA2  GLY  35           1HA      GLY  35   0.220  11.487   6.950
  264    HA3  GLY  35           2HA      GLY  35   0.831  12.909   6.113
  265    H    GLN  36           H        GLN  36  -1.592  11.203   4.399
  266    HA   GLN  36           HA       GLN  36  -3.811  12.889   5.425
  267    HB2  GLN  36           1HB      GLN  36  -3.016  12.637   2.517
  268    HB3  GLN  36           2HB      GLN  36  -4.459  13.453   3.118
  269    HG2  GLN  36           1HG      GLN  36  -2.999  15.010   4.417
  270    HG3  GLN  36           2HG      GLN  36  -1.581  14.229   3.719
  271   HE21  GLN  36          2HE2      GLN  36  -3.671  16.835   3.294
  272   HE22  GLN  36          1HE2      GLN  36  -3.381  17.129   1.648
  273    H    SER  37           H        SER  37  -5.908  12.173   4.639
  274    HA   SER  37           HA       SER  37  -7.524  10.581   4.429
  275    HB2  SER  37           1HB      SER  37  -7.324   9.068   2.606
  276    HB3  SER  37           2HB      SER  37  -6.322  10.443   2.156
  277    HG   SER  37           HG       SER  37  -5.563   8.011   2.184
  278    H    PHE  38           H        PHE  38  -7.935   9.595   6.316
  279    HA   PHE  38           HA       PHE  38  -7.044   6.948   6.842
  280    HB2  PHE  38           1HB      PHE  38  -5.826   7.484   9.014
  281    HB3  PHE  38           2HB      PHE  38  -4.946   7.897   7.550
  282    HD1  PHE  38           HD2      PHE  38  -6.998   9.282  10.326
  283    HD2  PHE  38           HD1      PHE  38  -4.463  10.222   6.987
  284    HE1  PHE  38           HE2      PHE  38  -6.869  11.638  11.084
  285    HE2  PHE  38           HE1      PHE  38  -4.334  12.574   7.745
  286    HZ   PHE  38           HZ       PHE  38  -5.537  13.287   9.795
  287    H    LYS  39           H        LYS  39  -9.083   9.499   7.236
  288    HA   LYS  39           HA       LYS  39 -10.186   8.884   9.852
  289    HB2  LYS  39           1HB      LYS  39 -11.176  10.591   7.571
  290    HB3  LYS  39           2HB      LYS  39 -11.918  10.538   9.168
  291    HG2  LYS  39           1HG      LYS  39  -9.808  11.295  10.193
  292    HG3  LYS  39           2HG      LYS  39  -9.037  11.356   8.610
  293    HD2  LYS  39           1HD      LYS  39 -11.569  12.973   9.160
  294    HD3  LYS  39           2HD      LYS  39  -9.990  13.598   9.621
  295    HE2  LYS  39           1HE      LYS  39 -10.763  12.775   6.797
  296    HE3  LYS  39           2HE      LYS  39 -10.664  14.426   7.393
  297    HZ1  LYS  39           3HZ      LYS  39  -8.533  12.551   6.759
  298    HZ2  LYS  39           1HZ      LYS  39  -8.285  13.541   8.114
  299    HZ3  LYS  39           2HZ      LYS  39  -8.583  14.243   6.595
  300    H    SER  40           H        SER  40 -10.169   7.062   7.236
  301    HA   SER  40           HA       SER  40 -12.425   5.494   7.954
  302    HB2  SER  40           1HB      SER  40 -13.820   7.180   6.918
  303    HB3  SER  40           2HB      SER  40 -12.750   7.273   5.528
  304    HG   SER  40           HG       SER  40 -13.548   4.736   5.961
  305    H    SER  41           H        SER  41 -12.659   3.596   6.636
  306    HA   SER  41           HA       SER  41 -10.187   2.602   5.619
  307    HB2  SER  41           1HB      SER  41 -12.997   1.505   5.291
  308    HB3  SER  41           2HB      SER  41 -11.503   0.623   4.985
  309    HG   SER  41           HG       SER  41 -10.971   1.102   7.222
  310    H    GLN  42           H        GLN  42 -13.180   3.786   4.110
  311    HA   GLN  42           HA       GLN  42 -12.483   3.216   1.424
  312    HB2  GLN  42           1HB      GLN  42 -14.795   3.717   2.241
  313    HB3  GLN  42           2HB      GLN  42 -14.330   5.403   2.451
  314    HG2  GLN  42           1HG      GLN  42 -13.809   5.562   0.031
  315    HG3  GLN  42           2HG      GLN  42 -14.252   3.869  -0.171
  316   HE21  GLN  42          2HE2      GLN  42 -15.588   5.962  -1.591
  317   HE22  GLN  42          1HE2      GLN  42 -17.187   6.048  -1.029
  318    H    GLU  43           H        GLU  43 -11.920   6.043   3.487
  319    HA   GLU  43           HA       GLU  43 -11.051   7.864   1.553
  320    HB2  GLU  43           1HB      GLU  43 -10.506   7.470   4.493
  321    HB3  GLU  43           2HB      GLU  43  -9.518   8.652   3.645
  322    HG2  GLU  43           1HG      GLU  43 -12.572   8.681   3.568
  323    HG3  GLU  43           2HG      GLU  43 -11.632   9.591   4.747
  324    H    PHE  44           H        PHE  44  -9.506   5.017   2.783
  325    HA   PHE  44           HA       PHE  44  -6.834   5.686   2.008
  326    HB2  PHE  44           1HB      PHE  44  -7.615   3.903   3.662
  327    HB3  PHE  44           2HB      PHE  44  -8.026   2.900   2.289
  328    HD1  PHE  44           HD2      PHE  44  -6.233   2.101   0.719
  329    HD2  PHE  44           HD1      PHE  44  -5.277   4.354   4.246
  330    HE1  PHE  44           HE2      PHE  44  -3.859   1.424   0.506
  331    HE2  PHE  44           HE1      PHE  44  -2.915   3.681   4.038
  332    HZ   PHE  44           HZ       PHE  44  -2.193   2.215   2.165
  333    H    ILE  45           H        ILE  45  -9.497   3.851   0.555
  334    HA   ILE  45           HA       ILE  45  -8.134   3.133  -1.844
  335    HB   ILE  45           HB       ILE  45 -11.080   3.319  -1.098
  336   HG12  ILE  45          1HG1      ILE  45 -10.989   0.855  -1.332
  337   HG13  ILE  45          2HG1      ILE  45  -9.302   0.951  -1.828
  338   HG21  ILE  45          1HG2      ILE  45 -11.490   2.085  -3.344
  339   HG22  ILE  45          2HG2      ILE  45  -9.880   2.633  -3.815
  340   HG23  ILE  45          3HG2      ILE  45 -11.146   3.809  -3.466
  341   HD11  ILE  45          3HD1      ILE  45 -10.209   2.061   0.839
  342   HD12  ILE  45          1HD1      ILE  45  -8.588   1.591   0.329
  343   HD13  ILE  45          2HD1      ILE  45  -9.801   0.358   0.640
  344    H    ASP  46           H        ASP  46  -9.815   5.999  -0.771
  345    HA   ASP  46           HA       ASP  46 -10.237   7.214  -3.306
  346    HB2  ASP  46           1HB      ASP  46 -11.320   7.992  -1.224
  347    HB3  ASP  46           2HB      ASP  46  -9.765   8.559  -0.633
  348    H    TYR  47           H        TYR  47  -7.452   7.060  -1.177
  349    HA   TYR  47           HA       TYR  47  -5.890   9.065  -2.504
  350    HB2  TYR  47           1HB      TYR  47  -5.212   8.509  -0.284
  351    HB3  TYR  47           2HB      TYR  47  -5.194   6.793  -0.629
  352    HD1  TYR  47           HD2      TYR  47  -3.383   9.990  -1.152
  353    HD2  TYR  47           HD1      TYR  47  -3.341   5.749  -1.859
  354    HE1  TYR  47           HE2      TYR  47  -1.019  10.137  -1.893
  355    HE2  TYR  47           HE1      TYR  47  -0.985   5.892  -2.600
  356    HH   TYR  47           HH       TYR  47   0.945   8.637  -2.066
  357    H    ILE  48           H        ILE  48  -6.051   5.518  -2.754
  358    HA   ILE  48           HA       ILE  48  -3.856   5.168  -4.418
  359    HB   ILE  48           HB       ILE  48  -6.399   3.491  -4.543
  360   HG12  ILE  48          1HG1      ILE  48  -4.024   3.228  -2.643
  361   HG13  ILE  48          2HG1      ILE  48  -5.614   3.818  -2.189
  362   HG21  ILE  48          1HG2      ILE  48  -3.463   2.841  -5.042
  363   HG22  ILE  48          2HG2      ILE  48  -4.700   3.015  -6.288
  364   HG23  ILE  48          3HG2      ILE  48  -4.791   1.685  -5.153
  365   HD11  ILE  48          3HD1      ILE  48  -5.522   1.515  -1.555
  366   HD12  ILE  48          1HD1      ILE  48  -4.930   1.041  -3.146
  367   HD13  ILE  48          2HD1      ILE  48  -6.584   1.623  -2.956
  368    H    HIS  49           H        HIS  49  -7.228   5.862  -5.274
  369    HA   HIS  49           HA       HIS  49  -6.767   5.786  -8.129
  370    HB2  HIS  49           1HB      HIS  49  -9.054   7.005  -6.547
  371    HB3  HIS  49           2HB      HIS  49  -9.054   6.645  -8.274
  372    HD1  HIS  49           HD1      HIS  49  -7.900   3.832  -8.336
  373    HD2  HIS  49           HD2      HIS  49 -10.699   5.069  -5.508
  374    HE1  HIS  49           HE1      HIS  49  -9.084   1.746  -7.539
  375    HE2  HIS  49           HE2      HIS  49 -10.794   2.472  -5.811
  376    H    SER  50           H        SER  50  -6.316   8.155  -5.632
  377    HA   SER  50           HA       SER  50  -6.410  10.455  -7.470
  378    HB2  SER  50           1HB      SER  50  -7.353  10.530  -5.137
  379    HB3  SER  50           2HB      SER  50  -5.709  10.410  -4.523
  380    HG   SER  50           HG       SER  50  -5.298  12.386  -5.203
  381    H    LYS  51           H        LYS  51  -4.423   8.709  -8.259
  382    HA   LYS  51           HA       LYS  51  -2.035  10.354  -7.969
  383    HB2  LYS  51           1HB      LYS  51  -2.323   7.578  -6.843
  384    HB3  LYS  51           2HB      LYS  51  -0.822   7.874  -7.708
  385    HG2  LYS  51           1HG      LYS  51  -1.765   9.792  -5.534
  386    HG3  LYS  51           2HG      LYS  51  -0.866   8.341  -5.130
  387    HD2  LYS  51           1HD      LYS  51   1.013   9.040  -6.516
  388    HD3  LYS  51           2HD      LYS  51   0.132  10.445  -7.096
  389    HE2  LYS  51           1HE      LYS  51   0.948   9.937  -4.225
  390    HE3  LYS  51           2HE      LYS  51   1.703  11.085  -5.323
  391    HZ1  LYS  51           3HZ      LYS  51  -0.644  12.034  -5.554
  392    HZ2  LYS  51           1HZ      LYS  51   0.210  12.367  -4.127
  393    HZ3  LYS  51           2HZ      LYS  51  -0.996  11.171  -4.133
  394    H    LYS  52           H        LYS  52  -0.239   9.331  -9.451
  395    HA   LYS  52           HA       LYS  52  -1.448   8.224 -11.930
  396    HB2  LYS  52           1HB      LYS  52   0.640  10.421 -11.752
  397    HB3  LYS  52           2HB      LYS  52  -0.055   9.756 -13.228
  398    HG2  LYS  52           1HG      LYS  52  -1.694  11.192 -11.092
  399    HG3  LYS  52           2HG      LYS  52  -1.044  11.984 -12.522
  400    HD2  LYS  52           1HD      LYS  52  -2.357  10.414 -13.959
  401    HD3  LYS  52           2HD      LYS  52  -3.054   9.695 -12.512
  402    HE2  LYS  52           1HE      LYS  52  -4.584  11.365 -13.445
  403    HE3  LYS  52           2HE      LYS  52  -4.000  11.870 -11.858
  404    HZ1  LYS  52           3HZ      LYS  52  -3.778  13.227 -14.281
  405    HZ2  LYS  52           1HZ      LYS  52  -2.212  12.771 -13.823
  406    HZ3  LYS  52           2HZ      LYS  52  -3.170  13.689 -12.762
  407    H    VAL  53           H        VAL  53  -0.052   7.031 -13.233
  408    HA   VAL  53           HA       VAL  53   1.617   5.235 -11.852
  409    HB   VAL  53           HB       VAL  53   1.629   5.822 -14.843
  410   HG11  VAL  53          1HG1      VAL  53   2.278   3.410 -14.999
  411   HG12  VAL  53          2HG1      VAL  53   2.364   3.342 -13.241
  412   HG13  VAL  53          3HG1      VAL  53   3.484   4.364 -14.138
  413   HG21  VAL  53          3HG2      VAL  53  -0.100   4.034 -14.965
  414   HG22  VAL  53          1HG2      VAL  53  -0.666   5.425 -14.043
  415   HG23  VAL  53          2HG2      VAL  53  -0.139   3.967 -13.203
  416    H    GLY  54           H        GLY  54   3.739   5.160 -11.429
  417    HA2  GLY  54           1HA      GLY  54   6.052   5.613 -11.771
  418    HA3  GLY  54           2HA      GLY  54   5.644   7.065 -12.678
  419    H    ASP  55           H        ASP  55   3.602   7.586 -10.443
  420    HA   ASP  55           HA       ASP  55   5.152   9.447  -8.966
  421    HB2  ASP  55           1HB      ASP  55   2.401   8.301  -8.397
  422    HB3  ASP  55           2HB      ASP  55   3.083   9.725  -7.616
  423    H    THR  56           H        THR  56   5.958   9.389  -6.892
  424    HA   THR  56           HA       THR  56   6.336   6.715  -5.665
  425    HB   THR  56           HB       THR  56   8.098   7.804  -4.370
  426    HG1  THR  56           HG1      THR  56   7.045  10.118  -5.599
  427   HG21  THR  56          3HG2      THR  56   8.641   7.034  -6.655
  428   HG22  THR  56          1HG2      THR  56   9.589   8.454  -6.214
  429   HG23  THR  56          2HG2      THR  56   8.202   8.621  -7.290
  430    H    VAL  57           H        VAL  57   5.900   6.392  -3.435
  431    HA   VAL  57           HA       VAL  57   4.221   8.414  -2.044
  432    HB   VAL  57           HB       VAL  57   2.648   6.950  -3.207
  433   HG11  VAL  57          1HG1      VAL  57   2.609   4.523  -2.760
  434   HG12  VAL  57          2HG1      VAL  57   4.081   4.661  -1.811
  435   HG13  VAL  57          3HG1      VAL  57   4.110   5.012  -3.541
  436   HG21  VAL  57          3HG2      VAL  57   1.301   6.238  -1.319
  437   HG22  VAL  57          1HG2      VAL  57   2.157   7.697  -0.821
  438   HG23  VAL  57          2HG2      VAL  57   2.712   6.114  -0.271
  439    H    LYS  58           H        LYS  58   4.056   8.120   0.185
  440    HA   LYS  58           HA       LYS  58   6.333   6.678   1.438
  441    HB2  LYS  58           1HB      LYS  58   4.501   8.850   2.500
  442    HB3  LYS  58           2HB      LYS  58   5.880   8.160   3.363
  443    HG2  LYS  58           1HG      LYS  58   7.357   8.917   1.450
  444    HG3  LYS  58           2HG      LYS  58   5.964   9.753   0.771
  445    HD2  LYS  58           1HD      LYS  58   7.168  10.259   3.519
  446    HD3  LYS  58           2HD      LYS  58   7.408  11.274   2.100
  447    HE2  LYS  58           1HE      LYS  58   4.833  10.857   3.671
  448    HE3  LYS  58           2HE      LYS  58   5.683  12.362   3.361
  449    HZ1  LYS  58           3HZ      LYS  58   5.251  11.806   0.910
  450    HZ2  LYS  58           1HZ      LYS  58   3.972  12.412   1.843
  451    HZ3  LYS  58           2HZ      LYS  58   4.063  10.748   1.506
  452    H    ILE  59           H        ILE  59   5.881   4.796   2.461
  453    HA   ILE  59           HA       ILE  59   3.131   4.311   3.511
  454    HB   ILE  59           HB       ILE  59   5.015   2.614   1.925
  455   HG12  ILE  59          1HG1      ILE  59   2.750   3.538   1.092
  456   HG13  ILE  59          2HG1      ILE  59   3.078   1.844   0.793
  457   HG21  ILE  59          1HG2      ILE  59   3.364   1.448   4.166
  458   HG22  ILE  59          2HG2      ILE  59   5.093   1.226   3.870
  459   HG23  ILE  59          3HG2      ILE  59   3.914   0.476   2.800
  460   HD11  ILE  59          3HD1      ILE  59   1.563   1.095   2.404
  461   HD12  ILE  59          1HD1      ILE  59   0.729   2.469   1.698
  462   HD13  ILE  59          2HD1      ILE  59   1.521   2.627   3.261
  463    H    LYS  60           H        LYS  60   2.883   3.729   5.550
  464    HA   LYS  60           HA       LYS  60   5.220   2.931   7.195
  465    HB2  LYS  60           1HB      LYS  60   4.082   4.449   9.029
  466    HB3  LYS  60           2HB      LYS  60   5.097   5.212   7.809
  467    HG2  LYS  60           1HG      LYS  60   3.144   5.881   6.501
  468    HG3  LYS  60           2HG      LYS  60   2.073   4.978   7.566
  469    HD2  LYS  60           1HD      LYS  60   1.986   7.356   8.099
  470    HD3  LYS  60           2HD      LYS  60   2.693   6.473   9.446
  471    HE2  LYS  60           1HE      LYS  60   4.892   7.297   8.934
  472    HE3  LYS  60           2HE      LYS  60   4.410   7.803   7.310
  473    HZ1  LYS  60           3HZ      LYS  60   4.093   9.149   9.834
  474    HZ2  LYS  60           1HZ      LYS  60   2.693   9.152   8.878
  475    HZ3  LYS  60           2HZ      LYS  60   4.145   9.779   8.257
  476    H    TYR  61           H        TYR  61   4.722   1.024   8.109
  477    HA   TYR  61           HA       TYR  61   1.996   0.508   9.100
  478    HB2  TYR  61           1HB      TYR  61   1.772  -1.551   7.889
  479    HB3  TYR  61           2HB      TYR  61   2.134  -0.286   6.744
  480    HD1  TYR  61           HD2      TYR  61   3.640  -3.155   8.598
  481    HD2  TYR  61           HD1      TYR  61   4.126  -0.385   5.373
  482    HE1  TYR  61           HE2      TYR  61   5.575  -4.459   7.765
  483    HE2  TYR  61           HE1      TYR  61   6.061  -1.670   4.535
  484    HH   TYR  61           HH       TYR  61   6.682  -4.587   5.073
  485    H    LYS  62           H        LYS  62   1.914  -1.060  10.783
  486    HA   LYS  62           HA       LYS  62   4.572  -1.807  11.883
  487    HB2  LYS  62           1HB      LYS  62   3.232  -1.909  14.064
  488    HB3  LYS  62           2HB      LYS  62   3.443  -0.300  13.378
  489    HG2  LYS  62           1HG      LYS  62   1.189  -0.375  12.399
  490    HG3  LYS  62           2HG      LYS  62   0.958  -2.012  12.988
  491    HD2  LYS  62           1HD      LYS  62   1.252  -1.172  15.331
  492    HD3  LYS  62           2HD      LYS  62   1.328   0.471  14.688
  493    HE2  LYS  62           1HE      LYS  62  -1.003  -1.453  14.372
  494    HE3  LYS  62           2HE      LYS  62  -0.958  -0.064  15.456
  495    HZ1  LYS  62           3HZ      LYS  62  -0.815   1.407  13.616
  496    HZ2  LYS  62           1HZ      LYS  62  -2.094   0.341  13.299
  497    HZ3  LYS  62           2HZ      LYS  62  -0.602   0.129  12.518
  498    H    HIS  63           H        HIS  63   5.047  -3.884  11.515
  499    HA   HIS  63           HA       HIS  63   2.880  -5.909  11.374
  500    HB2  HIS  63           1HB      HIS  63   4.585  -5.833   9.538
  501    HB3  HIS  63           2HB      HIS  63   5.845  -6.200  10.717
  502    HD1  HIS  63           HD1      HIS  63   2.385  -7.664   9.997
  503    HD2  HIS  63           HD2      HIS  63   6.302  -8.937  10.659
  504    HE1  HIS  63           HE1      HIS  63   2.339 -10.192   9.929
  505    HE2  HIS  63           HE2      HIS  63   4.714 -10.989  10.331
  506    H    GLY  64           H        GLY  64   2.466  -7.000  13.153
  507    HA2  GLY  64           1HA      GLY  64   2.665  -8.010  15.219
  508    HA3  GLY  64           2HA      GLY  64   4.369  -8.231  14.832
  509    H    ASN  65           H        ASN  65   5.733  -7.281  16.205
  510    HA   ASN  65           HA       ASN  65   4.882  -4.894  17.791
  511    HB2  ASN  65           1HB      ASN  65   6.852  -7.085  18.504
  512    HB3  ASN  65           2HB      ASN  65   6.438  -5.700  19.515
  513   HD21  ASN  65          2HD2      ASN  65   3.515  -6.028  18.399
  514   HD22  ASN  65          1HD2      ASN  65   2.887  -7.277  19.359
  515    H    LYS  66           H        LYS  66   6.472  -5.345  15.087
  516    HA   LYS  66           HA       LYS  66   8.740  -3.514  15.771
  517    HB2  LYS  66           1HB      LYS  66   9.903  -4.582  13.780
  518    HB3  LYS  66           2HB      LYS  66   9.731  -5.619  15.191
  519    HG2  LYS  66           1HG      LYS  66   7.729  -6.675  14.172
  520    HG3  LYS  66           2HG      LYS  66   7.931  -5.680  12.740
  521    HD2  LYS  66           1HD      LYS  66  10.017  -7.633  13.782
  522    HD3  LYS  66           2HD      LYS  66   8.884  -7.987  12.482
  523    HE2  LYS  66           1HE      LYS  66   9.871  -5.851  11.312
  524    HE3  LYS  66           2HE      LYS  66  11.210  -6.041  12.448
  525    HZ1  LYS  66           3HZ      LYS  66  11.938  -7.349  10.788
  526    HZ2  LYS  66           1HZ      LYS  66  10.386  -7.751  10.241
  527    HZ3  LYS  66           2HZ      LYS  66  11.022  -8.514  11.620
  528    H    ASN  67           H        ASN  67   8.514  -1.572  14.928
  529    HA   ASN  67           HA       ASN  67   6.564  -0.938  12.909
  530    HB2  ASN  67           1HB      ASN  67   8.736   0.773  14.152
  531    HB3  ASN  67           2HB      ASN  67   7.400   1.362  13.160
  532   HD21  ASN  67          2HD2      ASN  67   5.175   0.099  14.131
  533   HD22  ASN  67          1HD2      ASN  67   4.974   0.407  15.787
  534    H    GLU  68           H        GLU  68   6.872  -1.018  10.809
  535    HA   GLU  68           HA       GLU  68   9.606  -0.781   9.616
  536    HB2  GLU  68           1HB      GLU  68   7.356  -2.637   8.770
  537    HB3  GLU  68           2HB      GLU  68   8.891  -2.451   7.924
  538    HG2  GLU  68           1HG      GLU  68   8.619  -3.379  10.811
  539    HG3  GLU  68           2HG      GLU  68   8.846  -4.452   9.435
  540    H    GLU  69           H        GLU  69   9.788   0.459   7.854
  541    HA   GLU  69           HA       GLU  69   7.389   1.523   6.485
  542    HB2  GLU  69           1HB      GLU  69   8.289   3.848   6.627
  543    HB3  GLU  69           2HB      GLU  69   7.796   3.204   8.188
  544    HG2  GLU  69           1HG      GLU  69  10.681   3.181   7.210
  545    HG3  GLU  69           2HG      GLU  69  10.006   4.448   8.220
  546    H    ALA  70           H        ALA  70   7.647   1.801   4.385
  547    HA   ALA  70           HA       ALA  70  10.241   2.163   3.111
  548    HB1  ALA  70           3HB      ALA  70  10.274  -0.247   3.527
  549    HB2  ALA  70           1HB      ALA  70  10.092   0.060   1.797
  550    HB3  ALA  70           2HB      ALA  70   8.693  -0.410   2.766
  551    H    SER  71           H        SER  71   9.944   3.364   1.325
  552    HA   SER  71           HA       SER  71   7.245   3.791   0.251
  553    HB2  SER  71           1HB      SER  71   8.519   5.804   0.413
  554    HB3  SER  71           2HB      SER  71   9.952   5.046  -0.275
  555    HG   SER  71           HG       SER  71   9.044   5.101  -2.245
  556    H    ILE  72           H        ILE  72   6.607   3.295  -1.853
  557    HA   ILE  72           HA       ILE  72   8.362   1.567  -3.504
  558    HB   ILE  72           HB       ILE  72   6.098   0.261  -3.980
  559   HG12  ILE  72          1HG1      ILE  72   4.741   1.848  -2.526
  560   HG13  ILE  72          2HG1      ILE  72   4.519   0.145  -2.185
  561   HG21  ILE  72          1HG2      ILE  72   8.002  -0.886  -3.097
  562   HG22  ILE  72          2HG2      ILE  72   6.611  -1.339  -2.109
  563   HG23  ILE  72          3HG2      ILE  72   7.779  -0.164  -1.502
  564   HD11  ILE  72          3HD1      ILE  72   5.370   2.245  -0.413
  565   HD12  ILE  72          1HD1      ILE  72   6.596   0.987  -0.418
  566   HD13  ILE  72          2HD1      ILE  72   4.940   0.586  -0.031
  567    H    LYS  73           H        LYS  73   7.941   1.573  -5.671
  568    HA   LYS  73           HA       LYS  73   6.780   4.010  -6.699
  569    HB2  LYS  73           1HB      LYS  73   8.905   3.033  -7.556
  570    HB3  LYS  73           2HB      LYS  73   8.007   1.651  -8.175
  571    HG2  LYS  73           1HG      LYS  73   6.653   3.172  -9.600
  572    HG3  LYS  73           2HG      LYS  73   7.569   4.548  -8.992
  573    HD2  LYS  73           1HD      LYS  73   8.742   2.189 -10.510
  574    HD3  LYS  73           2HD      LYS  73   8.379   3.762 -11.215
  575    HE2  LYS  73           1HE      LYS  73  10.664   4.045 -10.738
  576    HE3  LYS  73           2HE      LYS  73   9.993   4.625  -9.214
  577    HZ1  LYS  73           3HZ      LYS  73  11.760   2.580  -9.525
  578    HZ2  LYS  73           1HZ      LYS  73  10.287   1.775  -9.289
  579    HZ3  LYS  73           2HZ      LYS  73  10.838   2.892  -8.133
  580    H    LEU  74           H        LEU  74   4.907   4.182  -7.874
  581    HA   LEU  74           HA       LEU  74   2.927   2.111  -7.563
  582    HB2  LEU  74           1HB      LEU  74   3.005   4.877  -8.755
  583    HB3  LEU  74           2HB      LEU  74   1.667   3.835  -9.189
  584    HG   LEU  74           HG       LEU  74   1.276   5.426  -7.206
  585   HD11  LEU  74          1HD1      LEU  74   0.782   2.446  -6.869
  586   HD12  LEU  74          2HD1      LEU  74  -0.295   3.646  -7.526
  587   HD13  LEU  74          3HD1      LEU  74   0.083   3.669  -5.820
  588   HD21  LEU  74          3HD2      LEU  74   2.854   3.416  -5.557
  589   HD22  LEU  74          1HD2      LEU  74   2.223   4.991  -5.095
  590   HD23  LEU  74          2HD2      LEU  74   3.596   4.885  -6.181
  591    H    THR  75           H        THR  75   1.881   0.949  -9.161
  592    HA   THR  75           HA       THR  75   3.095   0.842 -11.860
  593    HB   THR  75           HB       THR  75   3.393  -1.551 -11.738
  594    HG1  THR  75           HG1      THR  75   1.503  -1.851 -10.409
  595   HG21  THR  75          3HG2      THR  75   5.082  -1.783  -9.995
  596   HG22  THR  75          1HG2      THR  75   4.385  -0.441  -9.093
  597   HG23  THR  75          2HG2      THR  75   5.185  -0.142 -10.634
  598    H    ALA  76           H        ALA  76   1.773  -0.462 -13.343
  599    HA   ALA  76           HA       ALA  76  -1.077   0.162 -13.020
  600    HB1  ALA  76           3HB      ALA  76   0.390  -1.297 -15.251
  601    HB2  ALA  76           1HB      ALA  76  -0.004   0.423 -15.227
  602    HB3  ALA  76           2HB      ALA  76  -1.298  -0.777 -15.288
  603    H    ILE  77           H        ILE  77  -2.594  -1.210 -12.390
  604    HA   ILE  77           HA       ILE  77  -1.926  -4.085 -11.916
  605    HB   ILE  77           HB       ILE  77  -4.109  -3.758 -10.342
  606   HG12  ILE  77          1HG1      ILE  77  -2.858  -0.970 -10.210
  607   HG13  ILE  77          2HG1      ILE  77  -4.304  -1.300 -11.147
  608   HG21  ILE  77          1HG2      ILE  77  -1.320  -2.820  -9.578
  609   HG22  ILE  77          2HG2      ILE  77  -1.918  -4.478  -9.507
  610   HG23  ILE  77          3HG2      ILE  77  -2.596  -3.250  -8.439
  611   HD11  ILE  77          3HD1      ILE  77  -4.133  -1.974  -8.198
  612   HD12  ILE  77          1HD1      ILE  77  -5.568  -1.867  -9.218
  613   HD13  ILE  77          2HD1      ILE  77  -4.676  -0.406  -8.797
  614    H    ASP  78           H        ASP  78  -4.715  -1.996 -12.717
  615    HA   ASP  78           HA       ASP  78  -5.974  -4.270 -14.123
  616    HB2  ASP  78           1HB      ASP  78  -7.258  -2.915 -12.409
  617    HB3  ASP  78           2HB      ASP  78  -7.206  -1.554 -13.523
  618    H    LYS  79           H        LYS  79  -7.276  -3.638 -16.058
  619    HA   LYS  79           HA       LYS  79  -5.584  -2.953 -18.175
  620    HB2  LYS  79           1HB      LYS  79  -7.619  -3.040 -19.544
  621    HB3  LYS  79           2HB      LYS  79  -7.581  -4.376 -18.392
  622    HG2  LYS  79           1HG      LYS  79  -9.027  -2.929 -16.838
  623    HG3  LYS  79           2HG      LYS  79  -9.227  -1.814 -18.184
  624    HD2  LYS  79           1HD      LYS  79  -9.999  -4.757 -18.237
  625    HD3  LYS  79           2HD      LYS  79 -11.122  -3.429 -17.973
  626    HE2  LYS  79           1HE      LYS  79 -10.361  -2.492 -20.240
  627    HE3  LYS  79           2HE      LYS  79  -9.570  -4.049 -20.507
  628    HZ1  LYS  79           3HZ      LYS  79 -11.510  -4.843 -21.137
  629    HZ2  LYS  79           1HZ      LYS  79 -12.294  -3.390 -20.754
  630    HZ3  LYS  79           2HZ      LYS  79 -12.116  -4.594 -19.569
  631    H    LYS  80           H        LYS  80  -7.680  -0.944 -16.205
  632    HA   LYS  80           HA       LYS  80  -7.639   1.326 -18.027
  633    HB2  LYS  80           1HB      LYS  80  -8.699   2.523 -16.035
  634    HB3  LYS  80           2HB      LYS  80  -9.606   1.148 -16.665
  635    HG2  LYS  80           1HG      LYS  80  -8.804  -0.298 -14.882
  636    HG3  LYS  80           2HG      LYS  80  -7.701   0.945 -14.299
  637    HD2  LYS  80           1HD      LYS  80  -9.619   2.403 -13.756
  638    HD3  LYS  80           2HD      LYS  80 -10.731   1.174 -14.354
  639    HE2  LYS  80           1HE      LYS  80  -8.787   0.699 -12.062
  640    HE3  LYS  80           2HE      LYS  80 -10.468   1.177 -11.842
  641    HZ1  LYS  80           3HZ      LYS  80 -10.686  -0.887 -13.540
  642    HZ2  LYS  80           1HZ      LYS  80 -10.845  -1.002 -11.856
  643    HZ3  LYS  80           2HZ      LYS  80  -9.360  -1.373 -12.595
  644    H    GLY  81           H        GLY  81  -5.146   0.045 -16.670
  645    HA2  GLY  81           1HA      GLY  81  -3.136   0.760 -15.785
  646    HA3  GLY  81           2HA      GLY  81  -3.452   2.196 -16.743
  647    H    THR  82           H        THR  82  -5.228   1.020 -13.887
  648    HA   THR  82           HA       THR  82  -5.115   3.635 -12.685
  649    HB   THR  82           HB       THR  82  -6.314   1.026 -11.796
  650    HG1  THR  82           HG1      THR  82  -7.245   3.558 -12.652
  651   HG21  THR  82          3HG2      THR  82  -5.740   2.050  -9.688
  652   HG22  THR  82          1HG2      THR  82  -7.402   2.558  -9.998
  653   HG23  THR  82          2HG2      THR  82  -6.067   3.676 -10.297
  654    HA   PRO  83           HA       PRO  83  -1.105   2.650 -10.662
  655    HB2  PRO  83           1HB      PRO  83  -1.963   4.895  -8.819
  656    HB3  PRO  83           2HB      PRO  83  -0.427   4.685  -9.671
  657    HG2  PRO  83           1HG      PRO  83  -2.228   6.443 -10.506
  658    HG3  PRO  83           2HG      PRO  83  -1.230   5.541 -11.652
  659    HD2  PRO  83           1HD      PRO  83  -4.137   5.173 -10.978
  660    HD3  PRO  83           2HD      PRO  83  -3.271   4.907 -12.512
  661    H    GLY  84           H        GLY  84  -0.741   1.155  -9.149
  662    HA2  GLY  84           1HA      GLY  84  -2.172   1.079  -6.593
  663    HA3  GLY  84           2HA      GLY  84  -2.512  -0.262  -7.678
  664    H    ILE  85           H        ILE  85  -1.156  -0.109  -5.046
  665    HA   ILE  85           HA       ILE  85   1.633  -0.624  -5.369
  666    HB   ILE  85           HB       ILE  85  -0.209  -1.508  -3.122
  667   HG12  ILE  85          1HG1      ILE  85  -0.509   0.884  -3.467
  668   HG13  ILE  85          2HG1      ILE  85   0.417   0.614  -1.998
  669   HG21  ILE  85          1HG2      ILE  85   2.791  -1.104  -3.284
  670   HG22  ILE  85          2HG2      ILE  85   1.925  -2.584  -2.913
  671   HG23  ILE  85          3HG2      ILE  85   1.927  -1.263  -1.756
  672   HD11  ILE  85          3HD1      ILE  85   1.366   1.669  -4.657
  673   HD12  ILE  85          1HD1      ILE  85   2.525   0.978  -3.524
  674   HD13  ILE  85          2HD1      ILE  85   1.555   2.368  -3.062
  675    H    GLY  86           H        GLY  86  -1.227  -2.574  -5.691
  676    HA2  GLY  86           1HA      GLY  86  -1.246  -4.616  -6.930
  677    HA3  GLY  86           2HA      GLY  86   0.429  -4.907  -6.486
  678    H    ILE  87           H        ILE  87  -2.409  -4.056  -4.522
  679    HA   ILE  87           HA       ILE  87  -2.370  -6.698  -3.186
  680    HB   ILE  87           HB       ILE  87  -2.252  -5.723  -0.967
  681   HG12  ILE  87          1HG1      ILE  87  -1.832  -3.014  -2.296
  682   HG13  ILE  87          2HG1      ILE  87  -3.314  -3.485  -1.496
  683   HG21  ILE  87          1HG2      ILE  87   0.094  -5.116  -0.933
  684   HG22  ILE  87          2HG2      ILE  87   0.036  -4.559  -2.602
  685   HG23  ILE  87          3HG2      ILE  87  -0.123  -6.271  -2.242
  686   HD11  ILE  87          3HD1      ILE  87  -0.603  -3.197  -0.192
  687   HD12  ILE  87          1HD1      ILE  87  -2.033  -3.853   0.607
  688   HD13  ILE  87          2HD1      ILE  87  -2.020  -2.182   0.051
  689    H    THR  88           H        THR  88  -4.236  -6.886  -1.693
  690    HA   THR  88           HA       THR  88  -6.594  -5.209  -2.471
  691    HB   THR  88           HB       THR  88  -6.488  -8.218  -2.091
  692    HG1  THR  88           HG1      THR  88  -5.762  -7.240  -4.114
  693   HG21  THR  88          3HG2      THR  88  -8.822  -6.298  -2.489
  694   HG22  THR  88          1HG2      THR  88  -8.616  -7.504  -1.210
  695   HG23  THR  88          2HG2      THR  88  -8.936  -8.015  -2.868
  696    H    LEU  89           H        LEU  89  -7.561  -4.313  -0.744
  697    HA   LEU  89           HA       LEU  89  -6.894  -5.276   1.973
  698    HB2  LEU  89           1HB      LEU  89  -8.281  -2.695   1.178
  699    HB3  LEU  89           2HB      LEU  89  -7.609  -3.113   2.752
  700    HG   LEU  89           HG       LEU  89  -5.356  -3.469   1.143
  701   HD11  LEU  89          1HD1      LEU  89  -6.834  -1.096  -0.045
  702   HD12  LEU  89          2HD1      LEU  89  -6.568  -2.636  -0.862
  703   HD13  LEU  89          3HD1      LEU  89  -5.194  -1.618  -0.433
  704   HD21  LEU  89          3HD2      LEU  89  -6.264  -0.881   2.451
  705   HD22  LEU  89          1HD2      LEU  89  -4.607  -1.229   1.943
  706   HD23  LEU  89          2HD2      LEU  89  -5.360  -2.192   3.212
  707    H    VAL  90           H        VAL  90  -8.424  -5.781   3.458
  708    HA   VAL  90           HA       VAL  90 -11.138  -6.473   2.427
  709    HB   VAL  90           HB       VAL  90  -9.783  -8.340   3.274
  710   HG11  VAL  90          1HG1      VAL  90  -9.108  -8.496   5.616
  711   HG12  VAL  90          2HG1      VAL  90  -9.821  -6.920   5.955
  712   HG13  VAL  90          3HG1      VAL  90  -8.415  -7.044   4.898
  713   HG21  VAL  90          3HG2      VAL  90 -12.341  -8.224   3.630
  714   HG22  VAL  90          1HG2      VAL  90 -11.976  -7.818   5.303
  715   HG23  VAL  90          2HG2      VAL  90 -11.462  -9.364   4.648
  716    H    ASP  91           H        ASP  91 -12.925  -6.302   4.014
  717    HA   ASP  91           HA       ASP  91 -12.664  -4.342   6.156
  718    HB2  ASP  91           1HB      ASP  91 -12.847  -2.961   4.071
  719    HB3  ASP  91           2HB      ASP  91 -14.394  -3.731   3.729
  720    H    ASP  92           H        ASP  92 -13.399  -7.070   6.063
  721    HA   ASP  92           HA       ASP  92 -14.991  -8.539   6.793
  722    HB2  ASP  92           1HB      ASP  92 -16.117  -6.016   8.046
  723    HB3  ASP  92           2HB      ASP  92 -16.569  -7.659   8.489
  724    H    LEU  93           H        LEU  93 -15.372  -7.761   4.186
  725    HA   LEU  93           HA       LEU  93 -17.919  -6.756   3.525
  726    HB2  LEU  93           1HB      LEU  93 -16.310  -8.816   1.972
  727    HB3  LEU  93           2HB      LEU  93 -17.531  -7.725   1.318
  728    HG   LEU  93           HG       LEU  93 -14.886  -6.879   2.560
  729   HD11  LEU  93          1HD1      LEU  93 -15.808  -6.882  -0.332
  730   HD12  LEU  93          2HD1      LEU  93 -14.609  -7.967   0.372
  731   HD13  LEU  93          3HD1      LEU  93 -14.274  -6.240   0.252
  732   HD21  LEU  93          3HD2      LEU  93 -16.367  -5.054   2.956
  733   HD22  LEU  93          1HD2      LEU  93 -17.205  -5.270   1.419
  734   HD23  LEU  93          2HD2      LEU  93 -15.568  -4.611   1.458
  735    H    GLU  94           H        GLU  94 -16.931 -10.172   3.310
  736    HA   GLU  94           HA       GLU  94 -18.120 -12.123   3.524
  737    HB2  GLU  94           1HB      GLU  94 -19.566 -10.496   5.637
  738    HB3  GLU  94           2HB      GLU  94 -19.607 -12.253   5.492
  739    HG2  GLU  94           1HG      GLU  94 -17.169 -12.351   5.827
  740    HG3  GLU  94           2HG      GLU  94 -17.104 -10.594   5.948
  741    H    HIS  95           H        HIS  95 -19.174  -9.883   1.733
  742    HA   HIS  95           HA       HIS  95 -22.072 -10.397   1.653
  743    HB2  HIS  95           1HB      HIS  95 -20.267  -8.679  -0.087
  744    HB3  HIS  95           2HB      HIS  95 -22.023  -8.754  -0.215
  745    HD1  HIS  95           HD1      HIS  95 -19.315  -7.117   1.653
  746    HD2  HIS  95           HD2      HIS  95 -23.390  -7.799   2.221
  747    HE1  HIS  95           HE1      HIS  95 -20.052  -5.552   3.499
  748    HE2  HIS  95           HE2      HIS  95 -22.530  -5.955   3.865
  749    H    HIS  96           H        HIS  96 -19.175 -11.619   0.258
  750    HA   HIS  96           HA       HIS  96 -18.743 -13.135  -1.408
  751    HB2  HIS  96           1HB      HIS  96 -20.141 -14.546   0.042
  752    HB3  HIS  96           2HB      HIS  96 -21.590 -13.972  -0.773
  753    HD1  HIS  96           HD1      HIS  96 -18.281 -15.566  -1.867
  754    HD2  HIS  96           HD2      HIS  96 -22.350 -15.717  -2.760
  755    HE1  HIS  96           HE1      HIS  96 -18.551 -17.316  -3.673
  756    HE2  HIS  96           HE2      HIS  96 -21.024 -17.423  -4.232
  757    H    HIS  97           H        HIS  97 -22.168 -12.994  -2.248
  758    HA   HIS  97           HA       HIS  97 -21.651 -12.587  -5.010
  759    HB2  HIS  97           1HB      HIS  97 -23.688 -13.699  -4.108
  760    HB3  HIS  97           2HB      HIS  97 -24.233 -12.153  -3.464
  761    HD1  HIS  97           HD1      HIS  97 -23.302 -13.710  -6.817
  762    HD2  HIS  97           HD2      HIS  97 -25.663 -10.626  -5.299
  763    HE1  HIS  97           HE1      HIS  97 -24.583 -12.761  -8.780
  764    HE2  HIS  97           HE2      HIS  97 -26.027 -10.879  -7.876
  765    H    HIS  98           H        HIS  98 -20.180 -10.681  -4.657
  766    HA   HIS  98           HA       HIS  98 -19.711  -8.440  -4.753
  767    HB2  HIS  98           1HB      HIS  98 -21.018  -8.798  -6.863
  768    HB3  HIS  98           2HB      HIS  98 -22.478  -8.312  -6.005
  769    HD1  HIS  98           HD1      HIS  98 -23.027  -5.949  -6.568
  770    HD2  HIS  98           HD2      HIS  98 -18.909  -6.518  -6.272
  771    HE1  HIS  98           HE1      HIS  98 -21.964  -3.689  -6.968
  772    HE2  HIS  98           HE2      HIS  98 -19.453  -4.015  -6.792
  773    H    HIS  99           H        HIS  99 -22.569  -6.806  -4.751
  774    HA   HIS  99           HA       HIS  99 -22.217  -5.741  -2.126
  775    HB2  HIS  99           1HB      HIS  99 -23.132  -4.448  -4.040
  776    HB3  HIS  99           2HB      HIS  99 -24.571  -5.462  -4.026
  777    HD1  HIS  99           HD1      HIS  99 -22.867  -4.228  -0.889
  778    HD2  HIS  99           HD2      HIS  99 -26.344  -3.484  -3.073
  779    HE1  HIS  99           HE1      HIS  99 -24.305  -2.713   0.537
  780    HE2  HIS  99           HE2      HIS  99 -26.428  -2.244  -0.770
  781    H    HIS 100           H        HIS 100 -24.634  -7.922  -3.570
  782    HA   HIS 100           HA       HIS 100 -26.199  -9.323  -2.669
  783    HB2  HIS 100           1HB      HIS 100 -24.176 -10.342  -1.612
  784    HB3  HIS 100           2HB      HIS 100 -24.405  -9.297  -0.214
  785    HD1  HIS 100           HD1      HIS 100 -26.563 -11.745  -2.211
  786    HD2  HIS 100           HD2      HIS 100 -25.923 -10.535   1.728
  787    HE1  HIS 100           HE1      HIS 100 -28.085 -13.161  -0.772
  788    HE2  HIS 100           HE2      HIS 100 -27.711 -12.440   1.632
  Start of MODEL    4
    1    H1   MET   1           1H       MET   1  -8.741   0.542  25.411
    2    H2   MET   1           2H       MET   1  -7.188   1.047  25.884
    3    H3   MET   1           3H       MET   1  -8.559   1.618  26.710
    4    HA   MET   1           HA       MET   1  -7.063  -0.371  27.597
    5    HB2  MET   1           1HB      MET   1  -9.097  -1.024  28.928
    6    HB3  MET   1           2HB      MET   1  -8.837   0.711  28.866
    7    HG2  MET   1           1HG      MET   1 -10.500   0.915  27.061
    8    HG3  MET   1           2HG      MET   1 -10.770  -0.824  27.102
    9    HE1  MET   1           3HE      MET   1 -12.964   1.102  27.178
   10    HE2  MET   1           1HE      MET   1 -13.985   0.810  28.589
   11    HE3  MET   1           2HE      MET   1 -13.445  -0.540  27.597
   12    H    VAL   2           H        VAL   2  -9.379  -2.444  27.857
   13    HA   VAL   2           HA       VAL   2  -8.333  -4.365  26.072
   14    HB   VAL   2           HB       VAL   2 -11.027  -4.335  27.477
   15   HG11  VAL   2          1HG1      VAL   2 -10.802  -6.839  27.313
   16   HG12  VAL   2          2HG1      VAL   2  -9.390  -6.608  26.283
   17   HG13  VAL   2          3HG1      VAL   2 -10.979  -6.065  25.743
   18   HG21  VAL   2          3HG2      VAL   2  -9.136  -4.033  29.033
   19   HG22  VAL   2          1HG2      VAL   2  -8.329  -5.441  28.340
   20   HG23  VAL   2          2HG2      VAL   2  -9.842  -5.637  29.226
   21    H    LYS   3           H        LYS   3 -11.264  -2.349  25.908
   22    HA   LYS   3           HA       LYS   3 -12.190  -3.425  23.414
   23    HB2  LYS   3           1HB      LYS   3 -12.835  -0.734  24.667
   24    HB3  LYS   3           2HB      LYS   3 -13.789  -1.589  23.456
   25    HG2  LYS   3           1HG      LYS   3 -13.245  -2.598  26.273
   26    HG3  LYS   3           2HG      LYS   3 -14.727  -1.804  25.753
   27    HD2  LYS   3           1HD      LYS   3 -15.012  -3.664  24.034
   28    HD3  LYS   3           2HD      LYS   3 -13.662  -4.495  24.806
   29    HE2  LYS   3           1HE      LYS   3 -15.762  -5.352  25.716
   30    HE3  LYS   3           2HE      LYS   3 -14.892  -4.465  26.970
   31    HZ1  LYS   3           3HZ      LYS   3 -16.421  -2.838  27.005
   32    HZ2  LYS   3           1HZ      LYS   3 -17.441  -4.033  26.363
   33    HZ3  LYS   3           2HZ      LYS   3 -16.706  -2.902  25.332
   34    H    VAL   4           H        VAL   4 -11.814  -2.780  21.354
   35    HA   VAL   4           HA       VAL   4 -10.211  -0.348  20.809
   36    HB   VAL   4           HB       VAL   4  -9.514  -3.109  19.718
   37   HG11  VAL   4          1HG1      VAL   4  -8.957  -1.329  18.151
   38   HG12  VAL   4          2HG1      VAL   4  -7.472  -1.909  18.887
   39   HG13  VAL   4          3HG1      VAL   4  -8.185  -0.387  19.422
   40   HG21  VAL   4          3HG2      VAL   4  -8.883  -3.031  22.063
   41   HG22  VAL   4          1HG2      VAL   4  -8.187  -1.422  21.884
   42   HG23  VAL   4          2HG2      VAL   4  -7.421  -2.814  21.117
   43    H    THR   5           H        THR   5 -12.277   0.426  20.018
   44    HA   THR   5           HA       THR   5 -13.767  -0.866  17.976
   45    HB   THR   5           HB       THR   5 -13.612   2.117  18.539
   46    HG1  THR   5           HG1      THR   5 -14.304   0.138  20.134
   47   HG21  THR   5          3HG2      THR   5 -15.955   2.087  17.751
   48   HG22  THR   5          1HG2      THR   5 -15.817   0.365  17.398
   49   HG23  THR   5          2HG2      THR   5 -14.857   1.535  16.492
   50    H    TYR   6           H        TYR   6 -11.404   1.824  17.783
   51    HA   TYR   6           HA       TYR   6 -11.441   1.962  14.927
   52    HB2  TYR   6           1HB      TYR   6  -9.472   3.420  15.184
   53    HB3  TYR   6           2HB      TYR   6 -10.769   3.881  16.284
   54    HD1  TYR   6           HD1      TYR   6 -10.596   3.434  18.714
   55    HD2  TYR   6           HD2      TYR   6  -7.392   2.413  16.042
   56    HE1  TYR   6           HE1      TYR   6  -9.071   3.156  20.649
   57    HE2  TYR   6           HE2      TYR   6  -5.866   2.135  17.973
   58    HH   TYR   6           HH       TYR   6  -6.949   1.900  21.153
   59    H    ASP   7           H        ASP   7  -9.951   1.202  13.430
   60    HA   ASP   7           HA       ASP   7  -7.691  -0.423  14.152
   61    HB2  ASP   7           1HB      ASP   7  -8.554  -2.507  13.132
   62    HB3  ASP   7           2HB      ASP   7  -9.492  -2.049  14.549
   63    H    GLY   8           H        GLY   8  -6.394  -0.825  12.402
   64    HA2  GLY   8           1HA      GLY   8  -6.556   0.976  10.197
   65    HA3  GLY   8           2HA      GLY   8  -5.354  -0.299  10.427
   66    H    VAL   9           H        VAL   9  -5.590  -0.640   8.124
   67    HA   VAL   9           HA       VAL   9  -8.007  -2.244   7.368
   68    HB   VAL   9           HB       VAL   9  -7.254  -1.711   4.979
   69   HG11  VAL   9          1HG1      VAL   9  -9.144  -0.545   6.048
   70   HG12  VAL   9          2HG1      VAL   9  -8.240   0.551   5.004
   71   HG13  VAL   9          3HG1      VAL   9  -8.031   0.626   6.755
   72   HG21  VAL   9          3HG2      VAL   9  -5.762   0.207   4.684
   73   HG22  VAL   9          1HG2      VAL   9  -4.925  -1.030   5.596
   74   HG23  VAL   9          2HG2      VAL   9  -5.576   0.379   6.421
   75    H    TYR  10           H        TYR  10  -7.734  -4.309   6.882
   76    HA   TYR  10           HA       TYR  10  -5.060  -5.496   7.096
   77    HB2  TYR  10           1HB      TYR  10  -7.759  -6.266   7.821
   78    HB3  TYR  10           2HB      TYR  10  -7.184  -7.468   6.683
   79    HD1  TYR  10           HD2      TYR  10  -5.698  -5.461   9.514
   80    HD2  TYR  10           HD1      TYR  10  -6.240  -9.364   7.796
   81    HE1  TYR  10           HE2      TYR  10  -4.412  -6.458  11.375
   82    HE2  TYR  10           HE1      TYR  10  -4.959 -10.361   9.658
   83    HH   TYR  10           HH       TYR  10  -2.983  -8.733  11.618
   84    H    VAL  11           H        VAL  11  -3.960  -6.336   5.477
   85    HA   VAL  11           HA       VAL  11  -4.869  -6.035   2.728
   86    HB   VAL  11           HB       VAL  11  -2.341  -7.313   3.826
   87   HG11  VAL  11          1HG1      VAL  11  -1.488  -6.914   1.491
   88   HG12  VAL  11          2HG1      VAL  11  -3.117  -6.432   1.017
   89   HG13  VAL  11          3HG1      VAL  11  -2.801  -8.086   1.541
   90   HG21  VAL  11          3HG2      VAL  11  -1.279  -5.164   3.221
   91   HG22  VAL  11          1HG2      VAL  11  -2.552  -4.918   4.417
   92   HG23  VAL  11          2HG2      VAL  11  -2.844  -4.528   2.722
   93    H    LEU  12           H        LEU  12  -5.712  -7.664   1.447
   94    HA   LEU  12           HA       LEU  12  -6.547 -10.111   2.777
   95    HB2  LEU  12           1HB      LEU  12  -7.772  -8.553   0.959
   96    HB3  LEU  12           2HB      LEU  12  -6.972  -9.624  -0.180
   97    HG   LEU  12           HG       LEU  12  -8.862 -10.461   2.057
   98   HD11  LEU  12          1HD1      LEU  12  -9.177 -10.531  -0.961
   99   HD12  LEU  12          2HD1      LEU  12  -9.959  -9.381   0.122
  100   HD13  LEU  12          3HD1      LEU  12 -10.363 -11.094   0.216
  101   HD21  LEU  12          3HD2      LEU  12  -7.235 -12.093   0.070
  102   HD22  LEU  12          1HD2      LEU  12  -8.678 -12.739   0.851
  103   HD23  LEU  12          2HD2      LEU  12  -7.302 -12.253   1.825
  104    H    SER  13           H        SER  13  -4.577  -9.324  -0.103
  105    HA   SER  13           HA       SER  13  -2.773 -11.544   0.368
  106    HB2  SER  13           1HB      SER  13  -4.632 -11.659  -2.027
  107    HB3  SER  13           2HB      SER  13  -3.298 -12.764  -1.703
  108    HG   SER  13           HG       SER  13  -5.777 -12.926  -0.850
  109    H    VAL  14           H        VAL  14  -1.074 -11.664  -1.152
  110    HA   VAL  14           HA       VAL  14  -0.489  -9.095  -2.551
  111    HB   VAL  14           HB       VAL  14   1.462 -11.226  -1.563
  112   HG11  VAL  14          1HG1      VAL  14   2.349  -9.818  -3.380
  113   HG12  VAL  14          2HG1      VAL  14   3.130  -9.401  -1.859
  114   HG13  VAL  14          3HG1      VAL  14   1.861  -8.364  -2.512
  115   HG21  VAL  14          3HG2      VAL  14   0.273 -10.214   0.342
  116   HG22  VAL  14          1HG2      VAL  14   0.629  -8.600  -0.276
  117   HG23  VAL  14          2HG2      VAL  14   1.938  -9.640   0.288
  118    H    LYS  15           H        LYS  15  -0.097  -9.135  -4.700
  119    HA   LYS  15           HA       LYS  15  -0.780 -11.403  -6.271
  120    HB2  LYS  15           1HB      LYS  15   0.472  -8.726  -6.899
  121    HB3  LYS  15           2HB      LYS  15   0.280  -9.935  -8.166
  122    HG2  LYS  15           1HG      LYS  15  -1.627  -8.358  -8.121
  123    HG3  LYS  15           2HG      LYS  15  -2.144 -10.009  -7.788
  124    HD2  LYS  15           1HD      LYS  15  -2.380  -9.574  -5.428
  125    HD3  LYS  15           2HD      LYS  15  -1.536  -8.034  -5.557
  126    HE2  LYS  15           1HE      LYS  15  -4.225  -8.676  -6.809
  127    HE3  LYS  15           2HE      LYS  15  -3.979  -7.712  -5.353
  128    HZ1  LYS  15           3HZ      LYS  15  -3.648  -6.984  -8.109
  129    HZ2  LYS  15           1HZ      LYS  15  -2.314  -6.562  -7.149
  130    HZ3  LYS  15           2HZ      LYS  15  -3.863  -5.994  -6.745
  131    H    GLU  16           H        GLU  16   2.251 -10.116  -5.229
  132    HA   GLU  16           HA       GLU  16   4.339 -10.989  -4.995
  133    HB2  GLU  16           1HB      GLU  16   3.180 -13.575  -6.053
  134    HB3  GLU  16           2HB      GLU  16   4.775 -13.378  -5.362
  135    HG2  GLU  16           1HG      GLU  16   3.821 -12.704  -3.215
  136    HG3  GLU  16           2HG      GLU  16   2.199 -12.775  -3.888
  137    H    ASP  17           H        ASP  17   3.297  -9.719  -7.466
  138    HA   ASP  17           HA       ASP  17   5.610 -10.323  -9.196
  139    HB2  ASP  17           1HB      ASP  17   3.696 -11.694 -10.075
  140    HB3  ASP  17           2HB      ASP  17   2.754 -10.217 -10.264
  141    H    VAL  18           H        VAL  18   4.962  -8.208  -7.366
  142    HA   VAL  18           HA       VAL  18   5.042  -5.891  -9.195
  143    HB   VAL  18           HB       VAL  18   3.403  -4.720  -7.540
  144   HG11  VAL  18          1HG1      VAL  18   2.741  -5.472  -9.830
  145   HG12  VAL  18          2HG1      VAL  18   1.421  -5.581  -8.677
  146   HG13  VAL  18          3HG1      VAL  18   2.280  -7.034  -9.158
  147   HG21  VAL  18          3HG2      VAL  18   3.638  -6.472  -5.759
  148   HG22  VAL  18          1HG2      VAL  18   2.769  -7.598  -6.802
  149   HG23  VAL  18          2HG2      VAL  18   1.960  -6.156  -6.203
  150    HA   PRO  19           HA       PRO  19   8.286  -4.396  -6.557
  151    HB2  PRO  19           1HB      PRO  19   7.472  -1.756  -5.982
  152    HB3  PRO  19           2HB      PRO  19   8.350  -2.259  -7.432
  153    HG2  PRO  19           1HG      PRO  19   5.380  -1.893  -7.059
  154    HG3  PRO  19           2HG      PRO  19   6.421  -1.371  -8.403
  155    HD2  PRO  19           1HD      PRO  19   4.957  -3.559  -8.725
  156    HD3  PRO  19           2HD      PRO  19   6.648  -3.615  -9.247
  157    H    ALA  20           H        ALA  20   5.040  -4.498  -5.473
  158    HA   ALA  20           HA       ALA  20   5.336  -3.689  -2.770
  159    HB1  ALA  20           3HB      ALA  20   3.089  -4.230  -2.610
  160    HB2  ALA  20           1HB      ALA  20   3.312  -5.827  -3.327
  161    HB3  ALA  20           2HB      ALA  20   3.200  -4.415  -4.358
  162    H    ALA  21           H        ALA  21   5.871  -6.749  -4.421
  163    HA   ALA  21           HA       ALA  21   6.040  -8.447  -2.202
  164    HB1  ALA  21           3HB      ALA  21   7.527  -8.686  -4.836
  165    HB2  ALA  21           1HB      ALA  21   5.842  -9.136  -4.595
  166    HB3  ALA  21           2HB      ALA  21   7.115  -9.995  -3.726
  167    H    GLY  22           H        GLY  22   7.547  -8.727  -0.704
  168    HA2  GLY  22           1HA      GLY  22   9.723  -8.949   0.171
  169    HA3  GLY  22           2HA      GLY  22  10.363  -7.978  -1.148
  170    H    ILE  23           H        ILE  23   7.742  -6.287  -0.284
  171    HA   ILE  23           HA       ILE  23   9.173  -4.649   1.761
  172    HB   ILE  23           HB       ILE  23   7.152  -3.694  -0.306
  173   HG12  ILE  23          1HG1      ILE  23  10.193  -3.447  -0.288
  174   HG13  ILE  23          2HG1      ILE  23   9.279  -4.495  -1.364
  175   HG21  ILE  23          1HG2      ILE  23   7.301  -2.319   1.769
  176   HG22  ILE  23          2HG2      ILE  23   7.951  -1.448   0.393
  177   HG23  ILE  23          3HG2      ILE  23   9.044  -2.201   1.551
  178   HD11  ILE  23          3HD1      ILE  23   9.728  -2.572  -2.662
  179   HD12  ILE  23          1HD1      ILE  23   9.354  -1.482  -1.328
  180   HD13  ILE  23          2HD1      ILE  23   8.057  -2.356  -2.146
  181    H    LEU  24           H        LEU  24   5.920  -5.518   0.569
  182    HA   LEU  24           HA       LEU  24   4.807  -5.171   3.306
  183    HB2  LEU  24           1HB      LEU  24   3.515  -4.901   0.575
  184    HB3  LEU  24           2HB      LEU  24   2.604  -4.864   2.079
  185    HG   LEU  24           HG       LEU  24   4.923  -2.942   1.645
  186   HD11  LEU  24          1HD1      LEU  24   3.421  -2.628  -0.284
  187   HD12  LEU  24          2HD1      LEU  24   3.298  -1.262   0.820
  188   HD13  LEU  24          3HD1      LEU  24   2.035  -2.497   0.801
  189   HD21  LEU  24          3HD2      LEU  24   3.918  -3.158   3.943
  190   HD22  LEU  24          1HD2      LEU  24   2.352  -2.723   3.275
  191   HD23  LEU  24          2HD2      LEU  24   3.681  -1.573   3.252
  192    H    HIS  25           H        HIS  25   3.271  -6.667   4.031
  193    HA   HIS  25           HA       HIS  25   3.036  -9.244   2.596
  194    HB2  HIS  25           1HB      HIS  25   4.049  -8.980   5.451
  195    HB3  HIS  25           2HB      HIS  25   3.755 -10.487   4.580
  196    HD1  HIS  25           HD1      HIS  25   6.136  -7.607   4.807
  197    HD2  HIS  25           HD2      HIS  25   5.694 -11.087   2.556
  198    HE1  HIS  25           HE1      HIS  25   8.311  -7.937   3.563
  199    HE2  HIS  25           HE2      HIS  25   8.067 -10.053   2.183
  200    H    ALA  26           H        ALA  26   1.371 -10.595   3.404
  201    HA   ALA  26           HA       ALA  26  -1.027  -9.329   3.991
  202    HB1  ALA  26           3HB      ALA  26  -0.268 -12.191   4.617
  203    HB2  ALA  26           1HB      ALA  26  -0.857 -11.606   3.062
  204    HB3  ALA  26           2HB      ALA  26  -1.911 -11.565   4.476
  205    H    GLY  27           H        GLY  27  -2.164  -8.850   5.841
  206    HA2  GLY  27           1HA      GLY  27  -2.691  -8.867   8.134
  207    HA3  GLY  27           2HA      GLY  27  -1.157  -9.651   8.491
  208    H    ASP  28           H        ASP  28  -0.337  -7.258   6.398
  209    HA   ASP  28           HA       ASP  28   0.846  -5.620   8.428
  210    HB2  ASP  28           1HB      ASP  28   0.524  -5.320   5.427
  211    HB3  ASP  28           2HB      ASP  28   1.279  -4.057   6.396
  212    H    LEU  29           H        LEU  29  -0.065  -4.028   9.578
  213    HA   LEU  29           HA       LEU  29  -2.733  -2.973   8.837
  214    HB2  LEU  29           1HB      LEU  29  -1.057  -3.051  11.359
  215    HB3  LEU  29           2HB      LEU  29  -2.382  -1.925  11.247
  216    HG   LEU  29           HG       LEU  29  -2.917  -4.817  10.652
  217   HD11  LEU  29          1HD1      LEU  29  -3.513  -5.095  13.109
  218   HD12  LEU  29          2HD1      LEU  29  -2.727  -3.552  13.417
  219   HD13  LEU  29          3HD1      LEU  29  -1.787  -4.916  12.814
  220   HD21  LEU  29          3HD2      LEU  29  -4.593  -2.579  11.876
  221   HD22  LEU  29          1HD2      LEU  29  -5.176  -4.201  11.542
  222   HD23  LEU  29          2HD2      LEU  29  -4.712  -3.148  10.214
  223    H    ILE  30           H        ILE  30  -2.823  -1.056   7.795
  224    HA   ILE  30           HA       ILE  30  -0.475   0.651   7.607
  225    HB   ILE  30           HB       ILE  30  -3.279   1.112   6.518
  226   HG12  ILE  30          1HG1      ILE  30  -2.500  -1.066   5.719
  227   HG13  ILE  30          2HG1      ILE  30  -2.433   0.094   4.405
  228   HG21  ILE  30          1HG2      ILE  30  -2.070   2.493   4.851
  229   HG22  ILE  30          2HG2      ILE  30  -0.557   2.177   5.700
  230   HG23  ILE  30          3HG2      ILE  30  -1.843   3.087   6.495
  231   HD11  ILE  30          3HD1      ILE  30  -0.173  -1.123   5.972
  232   HD12  ILE  30          1HD1      ILE  30   0.073   0.376   5.076
  233   HD13  ILE  30          2HD1      ILE  30  -0.409  -1.087   4.233
  234    H    THR  31           H        THR  31  -0.051   2.088   9.144
  235    HA   THR  31           HA       THR  31  -2.110   3.050  11.009
  236    HB   THR  31           HB       THR  31  -0.227   3.954  12.279
  237    HG1  THR  31           HG1      THR  31   1.432   2.920  10.236
  238   HG21  THR  31          3HG2      THR  31  -0.782   1.552  12.528
  239   HG22  THR  31          1HG2      THR  31   0.941   1.848  12.757
  240   HG23  THR  31          2HG2      THR  31   0.359   1.166  11.240
  241    H    GLU  32           H        GLU  32   0.148   4.357   8.573
  242    HA   GLU  32           HA       GLU  32  -1.502   6.793   8.355
  243    HB2  GLU  32           1HB      GLU  32   0.695   6.911   9.982
  244    HB3  GLU  32           2HB      GLU  32   1.471   7.251   8.440
  245    HG2  GLU  32           1HG      GLU  32   0.874   9.376   9.363
  246    HG3  GLU  32           2HG      GLU  32  -0.297   9.066   8.084
  247    H    ILE  33           H        ILE  33  -1.335   7.823   6.344
  248    HA   ILE  33           HA       ILE  33   0.302   6.487   4.237
  249    HB   ILE  33           HB       ILE  33  -2.594   7.390   4.036
  250   HG12  ILE  33          1HG1      ILE  33  -2.057   4.571   3.356
  251   HG13  ILE  33          2HG1      ILE  33  -1.536   4.892   4.969
  252   HG21  ILE  33          1HG2      ILE  33  -2.468   6.457   1.740
  253   HG22  ILE  33          2HG2      ILE  33  -0.746   6.201   1.941
  254   HG23  ILE  33          3HG2      ILE  33  -1.415   7.832   1.942
  255   HD11  ILE  33          3HD1      ILE  33  -4.294   5.585   3.949
  256   HD12  ILE  33          1HD1      ILE  33  -3.730   5.679   5.615
  257   HD13  ILE  33          2HD1      ILE  33  -3.899   4.110   4.828
  258    H    ASP  34           H        ASP  34   1.500   7.910   3.129
  259    HA   ASP  34           HA       ASP  34   2.504   9.892   2.574
  260    HB2  ASP  34           1HB      ASP  34   0.610   9.690   0.959
  261    HB3  ASP  34           2HB      ASP  34  -0.367  10.703   2.019
  262    H    GLY  35           H        GLY  35   1.209   9.670   5.415
  263    HA2  GLY  35           1HA      GLY  35   1.220  10.972   7.309
  264    HA3  GLY  35           2HA      GLY  35   2.139  12.167   6.397
  265    H    GLN  36           H        GLN  36  -0.881  11.200   5.031
  266    HA   GLN  36           HA       GLN  36  -2.337  13.520   6.191
  267    HB2  GLN  36           1HB      GLN  36  -2.011  12.968   3.224
  268    HB3  GLN  36           2HB      GLN  36  -3.083  14.184   3.921
  269    HG2  GLN  36           1HG      GLN  36  -1.119  15.301   4.951
  270    HG3  GLN  36           2HG      GLN  36  -0.062  14.107   4.201
  271   HE21  GLN  36          2HE2      GLN  36  -1.365  17.185   3.736
  272   HE22  GLN  36          1HE2      GLN  36  -1.159  17.290   2.055
  273    H    SER  37           H        SER  37  -4.617  13.480   5.674
  274    HA   SER  37           HA       SER  37  -6.669  12.522   5.693
  275    HB2  SER  37           1HB      SER  37  -6.177  11.850   3.394
  276    HB3  SER  37           2HB      SER  37  -5.357  10.404   3.961
  277    HG   SER  37           HG       SER  37  -7.232   9.493   4.148
  278    H    PHE  38           H        PHE  38  -5.469   9.269   5.459
  279    HA   PHE  38           HA       PHE  38  -5.783   7.482   6.884
  280    HB2  PHE  38           1HB      PHE  38  -4.492   7.652   9.015
  281    HB3  PHE  38           2HB      PHE  38  -3.574   8.175   7.608
  282    HD1  PHE  38           HD1      PHE  38  -5.561   9.394  10.527
  283    HD2  PHE  38           HD2      PHE  38  -2.765  10.458   7.457
  284    HE1  PHE  38           HE1      PHE  38  -5.238  11.598  11.590
  285    HE2  PHE  38           HE2      PHE  38  -2.445  12.674   8.503
  286    HZ   PHE  38           HZ       PHE  38  -3.677  13.244  10.586
  287    H    LYS  39           H        LYS  39  -7.792   9.854   7.090
  288    HA   LYS  39           HA       LYS  39  -8.941   9.433   9.759
  289    HB2  LYS  39           1HB      LYS  39 -10.502  11.237   9.061
  290    HB3  LYS  39           2HB      LYS  39  -8.811  11.717   8.927
  291    HG2  LYS  39           1HG      LYS  39  -8.869  11.212   6.497
  292    HG3  LYS  39           2HG      LYS  39 -10.571  10.777   6.630
  293    HD2  LYS  39           1HD      LYS  39 -11.109  13.053   7.397
  294    HD3  LYS  39           2HD      LYS  39  -9.403  13.498   7.311
  295    HE2  LYS  39           1HE      LYS  39 -10.585  14.275   5.303
  296    HE3  LYS  39           2HE      LYS  39  -9.416  13.025   4.876
  297    HZ1  LYS  39           3HZ      LYS  39 -11.759  11.707   5.495
  298    HZ2  LYS  39           1HZ      LYS  39 -11.078  11.921   3.956
  299    HZ3  LYS  39           2HZ      LYS  39 -12.226  13.031   4.538
  300    H    SER  40           H        SER  40  -9.002   7.696   7.044
  301    HA   SER  40           HA       SER  40 -11.397   6.298   7.730
  302    HB2  SER  40           1HB      SER  40 -12.687   7.965   6.647
  303    HB3  SER  40           2HB      SER  40 -11.465   8.232   5.421
  304    HG   SER  40           HG       SER  40 -12.447   5.660   5.526
  305    H    SER  41           H        SER  41 -11.648   4.375   6.567
  306    HA   SER  41           HA       SER  41  -9.199   3.288   5.482
  307    HB2  SER  41           1HB      SER  41 -11.986   2.147   5.823
  308    HB3  SER  41           2HB      SER  41 -10.609   1.223   5.230
  309    HG   SER  41           HG       SER  41 -11.073   1.171   7.576
  310    H    GLN  42           H        GLN  42 -12.293   4.464   4.241
  311    HA   GLN  42           HA       GLN  42 -11.952   3.423   1.575
  312    HB2  GLN  42           1HB      GLN  42 -14.124   4.194   2.905
  313    HB3  GLN  42           2HB      GLN  42 -13.761   5.772   2.221
  314    HG2  GLN  42           1HG      GLN  42 -14.210   3.195   0.662
  315    HG3  GLN  42           2HG      GLN  42 -15.324   4.552   0.774
  316   HE21  GLN  42          2HE2      GLN  42 -14.704   6.578  -0.357
  317   HE22  GLN  42          1HE2      GLN  42 -13.531   6.541  -1.582
  318    H    GLU  43           H        GLU  43 -11.500   6.621   3.059
  319    HA   GLU  43           HA       GLU  43 -10.805   8.060   0.764
  320    HB2  GLU  43           1HB      GLU  43  -9.858   8.411   3.628
  321    HB3  GLU  43           2HB      GLU  43  -9.588   9.595   2.355
  322    HG2  GLU  43           1HG      GLU  43 -12.349   8.627   3.195
  323    HG3  GLU  43           2HG      GLU  43 -11.599  10.100   3.799
  324    H    PHE  44           H        PHE  44  -9.056   5.581   2.424
  325    HA   PHE  44           HA       PHE  44  -6.441   6.424   1.609
  326    HB2  PHE  44           1HB      PHE  44  -6.651   4.929   3.500
  327    HB3  PHE  44           2HB      PHE  44  -7.516   3.759   2.545
  328    HD1  PHE  44           HD2      PHE  44  -4.525   5.512   1.161
  329    HD2  PHE  44           HD1      PHE  44  -5.955   1.934   3.047
  330    HE1  PHE  44           HE2      PHE  44  -2.433   4.374   0.559
  331    HE2  PHE  44           HE1      PHE  44  -3.839   0.789   2.449
  332    HZ   PHE  44           HZ       PHE  44  -2.083   2.021   1.205
  333    H    ILE  45           H        ILE  45  -8.693   3.895   0.499
  334    HA   ILE  45           HA       ILE  45  -7.215   2.950  -1.679
  335    HB   ILE  45           HB       ILE  45 -10.182   3.028  -1.089
  336   HG12  ILE  45          1HG1      ILE  45  -9.922   0.580  -1.012
  337   HG13  ILE  45          2HG1      ILE  45  -8.254   0.711  -1.561
  338   HG21  ILE  45          1HG2      ILE  45 -10.261   3.244  -3.496
  339   HG22  ILE  45          2HG2      ILE  45 -10.487   1.529  -3.174
  340   HG23  ILE  45          3HG2      ILE  45  -8.912   2.123  -3.710
  341   HD11  ILE  45          3HD1      ILE  45  -8.602   0.400   0.955
  342   HD12  ILE  45          1HD1      ILE  45  -9.216   2.043   0.975
  343   HD13  ILE  45          2HD1      ILE  45  -7.559   1.733   0.475
  344    H    ASP  46           H        ASP  46  -9.144   5.796  -1.271
  345    HA   ASP  46           HA       ASP  46  -9.254   6.572  -4.046
  346    HB2  ASP  46           1HB      ASP  46  -9.577   8.257  -1.546
  347    HB3  ASP  46           2HB      ASP  46 -10.057   8.716  -3.178
  348    H    TYR  47           H        TYR  47  -6.968   7.128  -1.418
  349    HA   TYR  47           HA       TYR  47  -5.534   9.274  -2.660
  350    HB2  TYR  47           1HB      TYR  47  -5.396   8.876  -0.241
  351    HB3  TYR  47           2HB      TYR  47  -4.662   7.303  -0.523
  352    HD1  TYR  47           HD1      TYR  47  -4.140  10.966  -0.766
  353    HD2  TYR  47           HD2      TYR  47  -2.336   7.099  -1.270
  354    HE1  TYR  47           HE1      TYR  47  -1.919  12.036  -1.024
  355    HE2  TYR  47           HE2      TYR  47  -0.116   8.165  -1.529
  356    HH   TYR  47           HH       TYR  47   1.017  10.068  -1.517
  357    H    ILE  48           H        ILE  48  -4.775   5.821  -2.314
  358    HA   ILE  48           HA       ILE  48  -2.398   5.804  -3.761
  359    HB   ILE  48           HB       ILE  48  -3.780   3.262  -4.286
  360   HG12  ILE  48          1HG1      ILE  48  -3.907   4.251  -1.421
  361   HG13  ILE  48          2HG1      ILE  48  -5.285   4.025  -2.480
  362   HG21  ILE  48          1HG2      ILE  48  -1.588   3.962  -2.278
  363   HG22  ILE  48          2HG2      ILE  48  -1.313   3.612  -3.982
  364   HG23  ILE  48          3HG2      ILE  48  -1.947   2.361  -2.929
  365   HD11  ILE  48          3HD1      ILE  48  -3.403   1.836  -1.563
  366   HD12  ILE  48          1HD1      ILE  48  -4.745   1.623  -2.687
  367   HD13  ILE  48          2HD1      ILE  48  -5.053   2.081  -1.014
  368    H    HIS  49           H        HIS  49  -5.637   6.028  -4.875
  369    HA   HIS  49           HA       HIS  49  -4.948   5.540  -7.700
  370    HB2  HIS  49           1HB      HIS  49  -7.574   6.235  -6.343
  371    HB3  HIS  49           2HB      HIS  49  -7.374   5.822  -8.047
  372    HD1  HIS  49           HD1      HIS  49  -9.211   3.981  -6.805
  373    HD2  HIS  49           HD2      HIS  49  -5.108   3.394  -6.361
  374    HE1  HIS  49           HE1      HIS  49  -8.893   1.541  -6.227
  375    HE2  HIS  49           HE2      HIS  49  -6.399   1.155  -5.960
  376    H    SER  50           H        SER  50  -5.290   8.141  -5.445
  377    HA   SER  50           HA       SER  50  -6.118  10.203  -7.211
  378    HB2  SER  50           1HB      SER  50  -6.224  10.370  -4.745
  379    HB3  SER  50           2HB      SER  50  -4.466  10.453  -4.686
  380    HG   SER  50           HG       SER  50  -6.212  12.238  -6.051
  381    H    LYS  51           H        LYS  51  -3.060   8.639  -6.747
  382    HA   LYS  51           HA       LYS  51  -1.527  10.773  -8.070
  383    HB2  LYS  51           1HB      LYS  51  -0.650   8.047  -7.064
  384    HB3  LYS  51           2HB      LYS  51   0.412   9.337  -7.624
  385    HG2  LYS  51           1HG      LYS  51  -1.460   9.566  -5.236
  386    HG3  LYS  51           2HG      LYS  51   0.257   9.184  -5.123
  387    HD2  LYS  51           1HD      LYS  51   0.726  11.391  -6.327
  388    HD3  LYS  51           2HD      LYS  51  -0.979  11.783  -6.126
  389    HE2  LYS  51           1HE      LYS  51   0.299  12.793  -4.312
  390    HE3  LYS  51           2HE      LYS  51  -0.741  11.520  -3.669
  391    HZ1  LYS  51           3HZ      LYS  51   1.608  11.495  -2.862
  392    HZ2  LYS  51           1HZ      LYS  51   2.086  11.078  -4.435
  393    HZ3  LYS  51           2HZ      LYS  51   1.075  10.037  -3.552
  394    H    LYS  52           H        LYS  52   0.259   9.403  -9.561
  395    HA   LYS  52           HA       LYS  52  -1.354   8.095 -11.691
  396    HB2  LYS  52           1HB      LYS  52   1.048   9.913 -12.092
  397    HB3  LYS  52           2HB      LYS  52   0.019   9.213 -13.336
  398    HG2  LYS  52           1HG      LYS  52  -1.066  11.271 -13.217
  399    HG3  LYS  52           2HG      LYS  52  -1.906  10.518 -11.867
  400    HD2  LYS  52           1HD      LYS  52  -0.189  11.490 -10.315
  401    HD3  LYS  52           2HD      LYS  52   0.566  12.290 -11.689
  402    HE2  LYS  52           1HE      LYS  52  -0.933  13.855 -10.537
  403    HE3  LYS  52           2HE      LYS  52  -1.584  13.484 -12.135
  404    HZ1  LYS  52           3HZ      LYS  52  -2.408  11.738  -9.959
  405    HZ2  LYS  52           1HZ      LYS  52  -3.306  12.340 -11.267
  406    HZ3  LYS  52           2HZ      LYS  52  -3.015  13.324  -9.913
  407    H    VAL  53           H        VAL  53   0.018   6.842 -13.201
  408    HA   VAL  53           HA       VAL  53   1.390   4.792 -11.803
  409    HB   VAL  53           HB       VAL  53   1.502   5.364 -14.792
  410   HG11  VAL  53          1HG1      VAL  53   1.823   2.802 -13.186
  411   HG12  VAL  53          2HG1      VAL  53   3.110   3.649 -14.041
  412   HG13  VAL  53          3HG1      VAL  53   1.800   2.899 -14.944
  413   HG21  VAL  53          3HG2      VAL  53  -0.472   3.820 -14.900
  414   HG22  VAL  53          1HG2      VAL  53  -0.832   5.323 -14.057
  415   HG23  VAL  53          2HG2      VAL  53  -0.556   3.841 -13.137
  416    H    GLY  54           H        GLY  54   3.551   4.451 -11.376
  417    HA2  GLY  54           1HA      GLY  54   5.875   4.693 -11.599
  418    HA3  GLY  54           2HA      GLY  54   5.636   5.972 -12.782
  419    H    ASP  55           H        ASP  55   3.628   6.642 -10.281
  420    HA   ASP  55           HA       ASP  55   5.201   8.868  -9.329
  421    HB2  ASP  55           1HB      ASP  55   2.724   8.951  -9.551
  422    HB3  ASP  55           2HB      ASP  55   2.580   7.750  -8.266
  423    H    THR  56           H        THR  56   6.068   9.165  -7.270
  424    HA   THR  56           HA       THR  56   6.885   6.724  -5.856
  425    HB   THR  56           HB       THR  56   8.331   8.234  -4.578
  426    HG1  THR  56           HG1      THR  56   7.474  10.143  -4.361
  427   HG21  THR  56          3HG2      THR  56   9.102   7.437  -6.783
  428   HG22  THR  56          1HG2      THR  56   9.710   9.057  -6.443
  429   HG23  THR  56          2HG2      THR  56   8.355   8.842  -7.551
  430    H    VAL  57           H        VAL  57   6.467   6.351  -3.651
  431    HA   VAL  57           HA       VAL  57   4.451   8.049  -2.307
  432    HB   VAL  57           HB       VAL  57   3.587   5.843  -3.706
  433   HG11  VAL  57          1HG1      VAL  57   3.804   4.789  -0.873
  434   HG12  VAL  57          2HG1      VAL  57   4.935   4.324  -2.120
  435   HG13  VAL  57          3HG1      VAL  57   3.227   3.926  -2.288
  436   HG21  VAL  57          3HG2      VAL  57   2.088   7.501  -2.725
  437   HG22  VAL  57          1HG2      VAL  57   2.452   6.923  -1.095
  438   HG23  VAL  57          2HG2      VAL  57   1.553   5.898  -2.217
  439    H    LYS  58           H        LYS  58   4.156   7.562  -0.078
  440    HA   LYS  58           HA       LYS  58   6.486   6.265   1.277
  441    HB2  LYS  58           1HB      LYS  58   4.937   8.735   2.124
  442    HB3  LYS  58           2HB      LYS  58   6.245   7.981   3.038
  443    HG2  LYS  58           1HG      LYS  58   7.771   8.378   1.086
  444    HG3  LYS  58           2HG      LYS  58   6.464   9.252   0.287
  445    HD2  LYS  58           1HD      LYS  58   7.675   9.994   2.979
  446    HD3  LYS  58           2HD      LYS  58   8.053  10.774   1.448
  447    HE2  LYS  58           1HE      LYS  58   5.515  11.282   1.257
  448    HE3  LYS  58           2HE      LYS  58   5.434  10.865   2.973
  449    HZ1  LYS  58           3HZ      LYS  58   6.910  13.063   1.682
  450    HZ2  LYS  58           1HZ      LYS  58   7.375  12.486   3.208
  451    HZ3  LYS  58           2HZ      LYS  58   5.817  13.124   2.981
  452    H    ILE  59           H        ILE  59   5.761   4.468   2.203
  453    HA   ILE  59           HA       ILE  59   2.989   4.324   3.288
  454    HB   ILE  59           HB       ILE  59   4.917   2.040   2.747
  455   HG12  ILE  59          1HG1      ILE  59   4.457   3.122   0.633
  456   HG13  ILE  59          2HG1      ILE  59   3.618   1.587   0.716
  457   HG21  ILE  59          1HG2      ILE  59   2.893   0.654   2.907
  458   HG22  ILE  59          2HG2      ILE  59   1.886   2.074   3.123
  459   HG23  ILE  59          3HG2      ILE  59   3.022   1.620   4.362
  460   HD11  ILE  59          3HD1      ILE  59   2.090   3.166  -0.230
  461   HD12  ILE  59          1HD1      ILE  59   2.391   4.343   1.033
  462   HD13  ILE  59          2HD1      ILE  59   1.530   2.850   1.398
  463    H    LYS  60           H        LYS  60   2.619   3.854   5.361
  464    HA   LYS  60           HA       LYS  60   4.864   3.208   7.188
  465    HB2  LYS  60           1HB      LYS  60   4.309   5.652   7.335
  466    HB3  LYS  60           2HB      LYS  60   2.649   5.225   7.742
  467    HG2  LYS  60           1HG      LYS  60   3.371   4.091   9.767
  468    HG3  LYS  60           2HG      LYS  60   5.070   4.307   9.340
  469    HD2  LYS  60           1HD      LYS  60   4.769   6.774   9.477
  470    HD3  LYS  60           2HD      LYS  60   3.102   6.523   9.963
  471    HE2  LYS  60           1HE      LYS  60   3.837   5.291  11.960
  472    HE3  LYS  60           2HE      LYS  60   5.519   5.520  11.476
  473    HZ1  LYS  60           3HZ      LYS  60   5.345   7.830  11.748
  474    HZ2  LYS  60           1HZ      LYS  60   4.614   7.164  13.127
  475    HZ3  LYS  60           2HZ      LYS  60   3.651   7.779  11.872
  476    H    TYR  61           H        TYR  61   4.390   1.275   7.961
  477    HA   TYR  61           HA       TYR  61   1.636   0.609   8.802
  478    HB2  TYR  61           1HB      TYR  61   1.649  -1.457   7.570
  479    HB3  TYR  61           2HB      TYR  61   2.002  -0.166   6.444
  480    HD1  TYR  61           HD1      TYR  61   3.564  -2.888   8.462
  481    HD2  TYR  61           HD2      TYR  61   4.100  -0.142   5.208
  482    HE1  TYR  61           HE1      TYR  61   5.660  -4.045   7.829
  483    HE2  TYR  61           HE2      TYR  61   6.189  -1.289   4.575
  484    HH   TYR  61           HH       TYR  61   7.033  -4.324   5.709
  485    H    LYS  62           H        LYS  62   1.587  -1.403  10.088
  486    HA   LYS  62           HA       LYS  62   4.122  -1.883  11.569
  487    HB2  LYS  62           1HB      LYS  62   2.564  -0.402  12.849
  488    HB3  LYS  62           2HB      LYS  62   1.345  -1.671  12.764
  489    HG2  LYS  62           1HG      LYS  62   2.793  -3.196  14.034
  490    HG3  LYS  62           2HG      LYS  62   4.103  -2.027  14.000
  491    HD2  LYS  62           1HD      LYS  62   3.002  -1.967  16.177
  492    HD3  LYS  62           2HD      LYS  62   2.738  -0.444  15.333
  493    HE2  LYS  62           1HE      LYS  62   0.681  -1.499  16.508
  494    HE3  LYS  62           2HE      LYS  62   0.450  -0.992  14.843
  495    HZ1  LYS  62           3HZ      LYS  62   0.856  -3.278  14.135
  496    HZ2  LYS  62           1HZ      LYS  62  -0.444  -3.197  15.222
  497    HZ3  LYS  62           2HZ      LYS  62   1.071  -3.755  15.752
  498    H    HIS  63           H        HIS  63   4.707  -3.910  11.201
  499    HA   HIS  63           HA       HIS  63   2.674  -6.033  10.823
  500    HB2  HIS  63           1HB      HIS  63   4.503  -5.805   9.122
  501    HB3  HIS  63           2HB      HIS  63   5.692  -6.100  10.388
  502    HD1  HIS  63           HD1      HIS  63   2.638  -7.799   8.866
  503    HD2  HIS  63           HD2      HIS  63   6.179  -8.810  10.822
  504    HE1  HIS  63           HE1      HIS  63   2.747 -10.324   8.891
  505    HE2  HIS  63           HE2      HIS  63   4.897 -10.964  10.079
  506    H    GLY  64           H        GLY  64   2.072  -6.849  12.759
  507    HA2  GLY  64           1HA      GLY  64   2.253  -8.038  14.732
  508    HA3  GLY  64           2HA      GLY  64   3.994  -8.129  14.494
  509    H    ASN  65           H        ASN  65   5.215  -6.992  15.893
  510    HA   ASN  65           HA       ASN  65   3.985  -4.791  17.489
  511    HB2  ASN  65           1HB      ASN  65   5.596  -5.390  19.241
  512    HB3  ASN  65           2HB      ASN  65   4.574  -6.762  18.823
  513   HD21  ASN  65          2HD2      ASN  65   7.826  -5.377  18.098
  514   HD22  ASN  65          1HD2      ASN  65   8.550  -6.881  17.796
  515    H    LYS  66           H        LYS  66   6.330  -5.478  15.111
  516    HA   LYS  66           HA       LYS  66   8.053  -3.176  15.838
  517    HB2  LYS  66           1HB      LYS  66   9.554  -4.036  14.070
  518    HB3  LYS  66           2HB      LYS  66   9.221  -5.253  15.302
  519    HG2  LYS  66           1HG      LYS  66   7.477  -6.240  13.813
  520    HG3  LYS  66           2HG      LYS  66   7.902  -5.070  12.567
  521    HD2  LYS  66           1HD      LYS  66  10.203  -5.936  12.496
  522    HD3  LYS  66           2HD      LYS  66   9.811  -7.103  13.760
  523    HE2  LYS  66           1HE      LYS  66   9.702  -8.136  11.506
  524    HE3  LYS  66           2HE      LYS  66   8.126  -8.145  12.299
  525    HZ1  LYS  66           3HZ      LYS  66   8.001  -7.407   9.980
  526    HZ2  LYS  66           1HZ      LYS  66   9.030  -6.105  10.340
  527    HZ3  LYS  66           2HZ      LYS  66   7.496  -6.198  11.061
  528    H    ASN  67           H        ASN  67   8.008  -1.297  14.740
  529    HA   ASN  67           HA       ASN  67   6.081  -0.965  12.541
  530    HB2  ASN  67           1HB      ASN  67   6.295   1.427  12.976
  531    HB3  ASN  67           2HB      ASN  67   5.891   0.562  14.456
  532   HD21  ASN  67          2HD2      ASN  67   7.232   0.993  16.234
  533   HD22  ASN  67          1HD2      ASN  67   8.761   1.720  16.127
  534    H    GLU  68           H        GLU  68   6.698  -0.725  10.530
  535    HA   GLU  68           HA       GLU  68   9.484   0.085   9.845
  536    HB2  GLU  68           1HB      GLU  68   7.888  -2.173   8.586
  537    HB3  GLU  68           2HB      GLU  68   9.468  -1.602   8.040
  538    HG2  GLU  68           1HG      GLU  68  10.432  -2.179  10.250
  539    HG3  GLU  68           2HG      GLU  68   8.855  -2.766  10.776
  540    H    GLU  69           H        GLU  69   9.714   1.047   7.801
  541    HA   GLU  69           HA       GLU  69   7.263   1.912   6.384
  542    HB2  GLU  69           1HB      GLU  69   8.032   4.249   6.365
  543    HB3  GLU  69           2HB      GLU  69   7.721   3.688   8.007
  544    HG2  GLU  69           1HG      GLU  69  10.169   3.254   8.284
  545    HG3  GLU  69           2HG      GLU  69  10.448   3.922   6.678
  546    H    ALA  70           H        ALA  70   7.493   2.077   4.264
  547    HA   ALA  70           HA       ALA  70  10.163   2.148   2.990
  548    HB1  ALA  70           3HB      ALA  70   9.652  -0.240   3.302
  549    HB2  ALA  70           1HB      ALA  70   9.599   0.193   1.592
  550    HB3  ALA  70           2HB      ALA  70   8.099  -0.018   2.500
  551    H    SER  71           H        SER  71  10.140   2.790   0.868
  552    HA   SER  71           HA       SER  71   7.701   4.231  -0.040
  553    HB2  SER  71           1HB      SER  71  10.594   4.557  -0.905
  554    HB3  SER  71           2HB      SER  71   9.231   5.534  -1.448
  555    HG   SER  71           HG       SER  71   9.100   5.541   1.150
  556    H    ILE  72           H        ILE  72   6.687   3.623  -1.887
  557    HA   ILE  72           HA       ILE  72   8.011   1.674  -3.703
  558    HB   ILE  72           HB       ILE  72   5.075   1.382  -2.941
  559   HG12  ILE  72          1HG1      ILE  72   7.369  -0.066  -1.539
  560   HG13  ILE  72          2HG1      ILE  72   6.485   1.269  -0.819
  561   HG21  ILE  72          1HG2      ILE  72   5.475  -0.939  -3.695
  562   HG22  ILE  72          2HG2      ILE  72   7.173  -0.579  -3.938
  563   HG23  ILE  72          3HG2      ILE  72   5.954   0.203  -4.947
  564   HD11  ILE  72          3HD1      ILE  72   5.233  -1.318  -1.725
  565   HD12  ILE  72          1HD1      ILE  72   4.390   0.050  -1.002
  566   HD13  ILE  72          2HD1      ILE  72   5.569  -0.864  -0.059
  567    H    LYS  73           H        LYS  73   7.565   1.936  -5.853
  568    HA   LYS  73           HA       LYS  73   6.251   4.393  -6.618
  569    HB2  LYS  73           1HB      LYS  73   7.235   4.055  -8.762
  570    HB3  LYS  73           2HB      LYS  73   8.421   3.436  -7.611
  571    HG2  LYS  73           1HG      LYS  73   7.412   1.116  -7.987
  572    HG3  LYS  73           2HG      LYS  73   6.468   1.826  -9.307
  573    HD2  LYS  73           1HD      LYS  73   8.531   2.508 -10.444
  574    HD3  LYS  73           2HD      LYS  73   9.496   1.833  -9.132
  575    HE2  LYS  73           1HE      LYS  73   8.561  -0.411  -9.585
  576    HE3  LYS  73           2HE      LYS  73   7.594   0.258 -10.902
  577    HZ1  LYS  73           3HZ      LYS  73  10.013  -0.781 -11.228
  578    HZ2  LYS  73           1HZ      LYS  73  10.430   0.846 -10.982
  579    HZ3  LYS  73           2HZ      LYS  73   9.366   0.422 -12.238
  580    H    LEU  74           H        LEU  74   4.342   4.588  -7.758
  581    HA   LEU  74           HA       LEU  74   2.399   2.498  -7.468
  582    HB2  LEU  74           1HB      LEU  74   2.485   5.241  -8.720
  583    HB3  LEU  74           2HB      LEU  74   1.169   4.180  -9.171
  584    HG   LEU  74           HG       LEU  74   0.557   5.673  -7.290
  585   HD11  LEU  74          1HD1      LEU  74   0.574   3.030  -5.886
  586   HD12  LEU  74          2HD1      LEU  74  -0.127   3.032  -7.496
  587   HD13  LEU  74          3HD1      LEU  74  -0.760   4.113  -6.273
  588   HD21  LEU  74          3HD2      LEU  74   2.873   5.792  -6.313
  589   HD22  LEU  74          1HD2      LEU  74   2.643   4.162  -5.678
  590   HD23  LEU  74          2HD2      LEU  74   1.618   5.481  -5.118
  591    H    THR  75           H        THR  75   1.537   1.129  -8.972
  592    HA   THR  75           HA       THR  75   2.660   1.042 -11.717
  593    HB   THR  75           HB       THR  75   2.906  -1.390 -11.538
  594    HG1  THR  75           HG1      THR  75   1.302  -1.585  -9.864
  595   HG21  THR  75          3HG2      THR  75   4.809   0.207 -10.860
  596   HG22  THR  75          1HG2      THR  75   4.919  -1.439 -10.236
  597   HG23  THR  75          2HG2      THR  75   4.356  -0.136  -9.188
  598    H    ALA  76           H        ALA  76   1.377  -0.311 -13.151
  599    HA   ALA  76           HA       ALA  76  -1.488   0.172 -12.844
  600    HB1  ALA  76           3HB      ALA  76  -0.451   0.424 -15.049
  601    HB2  ALA  76           1HB      ALA  76  -1.594  -0.923 -15.097
  602    HB3  ALA  76           2HB      ALA  76   0.137  -1.239 -14.995
  603    H    ILE  77           H        ILE  77  -2.844  -1.215 -11.872
  604    HA   ILE  77           HA       ILE  77  -2.008  -4.007 -11.356
  605    HB   ILE  77           HB       ILE  77  -3.819  -4.037  -9.712
  606   HG12  ILE  77          1HG1      ILE  77  -4.507  -1.316 -10.929
  607   HG13  ILE  77          2HG1      ILE  77  -5.575  -2.690 -10.664
  608   HG21  ILE  77          1HG2      ILE  77  -1.522  -3.026  -9.187
  609   HG22  ILE  77          2HG2      ILE  77  -2.819  -2.506  -8.121
  610   HG23  ILE  77          3HG2      ILE  77  -2.258  -1.440  -9.409
  611   HD11  ILE  77          3HD1      ILE  77  -6.238  -1.262  -8.968
  612   HD12  ILE  77          1HD1      ILE  77  -4.613  -0.631  -8.725
  613   HD13  ILE  77          2HD1      ILE  77  -5.042  -2.233  -8.111
  614    H    ASP  78           H        ASP  78  -4.893  -2.253 -12.496
  615    HA   ASP  78           HA       ASP  78  -5.885  -4.722 -13.780
  616    HB2  ASP  78           1HB      ASP  78  -7.382  -3.346 -12.276
  617    HB3  ASP  78           2HB      ASP  78  -7.345  -2.076 -13.493
  618    H    LYS  79           H        LYS  79  -7.051  -4.412 -15.861
  619    HA   LYS  79           HA       LYS  79  -5.238  -3.744 -17.893
  620    HB2  LYS  79           1HB      LYS  79  -8.246  -4.050 -18.139
  621    HB3  LYS  79           2HB      LYS  79  -7.059  -4.271 -19.423
  622    HG2  LYS  79           1HG      LYS  79  -7.235  -5.983 -16.908
  623    HG3  LYS  79           2HG      LYS  79  -7.899  -6.425 -18.474
  624    HD2  LYS  79           1HD      LYS  79  -5.542  -6.214 -19.427
  625    HD3  LYS  79           2HD      LYS  79  -4.961  -6.042 -17.773
  626    HE2  LYS  79           1HE      LYS  79  -6.525  -8.420 -18.812
  627    HE3  LYS  79           2HE      LYS  79  -4.784  -8.378 -18.546
  628    HZ1  LYS  79           3HZ      LYS  79  -6.822  -7.874 -16.447
  629    HZ2  LYS  79           1HZ      LYS  79  -5.143  -7.974 -16.222
  630    HZ3  LYS  79           2HZ      LYS  79  -6.022  -9.354 -16.680
  631    H    LYS  80           H        LYS  80  -7.601  -1.787 -16.270
  632    HA   LYS  80           HA       LYS  80  -7.805   0.226 -18.350
  633    HB2  LYS  80           1HB      LYS  80  -8.890   1.577 -16.394
  634    HB3  LYS  80           2HB      LYS  80  -9.730   0.141 -16.974
  635    HG2  LYS  80           1HG      LYS  80  -8.880  -1.192 -15.139
  636    HG3  LYS  80           2HG      LYS  80  -7.832   0.119 -14.594
  637    HD2  LYS  80           1HD      LYS  80  -9.803   1.494 -14.071
  638    HD3  LYS  80           2HD      LYS  80 -10.872   0.231 -14.681
  639    HE2  LYS  80           1HE      LYS  80 -10.126  -1.303 -12.927
  640    HE3  LYS  80           2HE      LYS  80  -8.961  -0.123 -12.341
  641    HZ1  LYS  80           3HZ      LYS  80 -11.614   0.938 -12.549
  642    HZ2  LYS  80           1HZ      LYS  80 -10.536   0.973 -11.239
  643    HZ3  LYS  80           2HZ      LYS  80 -11.523  -0.386 -11.487
  644    H    GLY  81           H        GLY  81  -5.503  -0.494 -15.927
  645    HA2  GLY  81           1HA      GLY  81  -3.424   0.510 -15.642
  646    HA3  GLY  81           2HA      GLY  81  -3.915   1.835 -16.679
  647    H    THR  82           H        THR  82  -5.519   0.635 -13.717
  648    HA   THR  82           HA       THR  82  -5.630   3.325 -12.653
  649    HB   THR  82           HB       THR  82  -6.523   0.701 -11.481
  650    HG1  THR  82           HG1      THR  82  -7.576   2.666 -13.104
  651   HG21  THR  82          3HG2      THR  82  -6.102   2.155  -9.602
  652   HG22  THR  82          1HG2      THR  82  -7.831   2.285  -9.926
  653   HG23  THR  82          2HG2      THR  82  -6.735   3.564 -10.457
  654    HA   PRO  83           HA       PRO  83  -1.531   2.757 -10.697
  655    HB2  PRO  83           1HB      PRO  83  -2.506   5.024  -8.957
  656    HB3  PRO  83           2HB      PRO  83  -0.961   4.858  -9.807
  657    HG2  PRO  83           1HG      PRO  83  -2.852   6.458 -10.738
  658    HG3  PRO  83           2HG      PRO  83  -1.845   5.523 -11.848
  659    HD2  PRO  83           1HD      PRO  83  -4.715   5.052 -11.037
  660    HD3  PRO  83           2HD      PRO  83  -3.902   4.751 -12.596
  661    H    GLY  84           H        GLY  84  -1.011   1.363  -9.146
  662    HA2  GLY  84           1HA      GLY  84  -2.098   1.387  -6.493
  663    HA3  GLY  84           2HA      GLY  84  -2.742   0.046  -7.427
  664    H    ILE  85           H        ILE  85  -1.094  -0.118  -5.111
  665    HA   ILE  85           HA       ILE  85   1.569  -0.949  -6.035
  666    HB   ILE  85           HB       ILE  85   0.572  -1.326  -3.182
  667   HG12  ILE  85          1HG1      ILE  85   1.480   1.342  -4.339
  668   HG13  ILE  85          2HG1      ILE  85  -0.162   0.969  -3.838
  669   HG21  ILE  85          1HG2      ILE  85   2.893  -0.921  -2.636
  670   HG22  ILE  85          2HG2      ILE  85   3.237  -0.359  -4.272
  671   HG23  ILE  85          3HG2      ILE  85   2.869  -2.051  -3.976
  672   HD11  ILE  85          3HD1      ILE  85   0.847   2.151  -2.032
  673   HD12  ILE  85          1HD1      ILE  85   2.287   1.140  -2.078
  674   HD13  ILE  85          2HD1      ILE  85   0.752   0.467  -1.523
  675    H    GLY  86           H        GLY  86  -0.927  -2.372  -6.843
  676    HA2  GLY  86           1HA      GLY  86  -1.749  -4.514  -7.062
  677    HA3  GLY  86           2HA      GLY  86  -0.068  -4.985  -6.888
  678    H    ILE  87           H        ILE  87  -2.731  -3.859  -4.837
  679    HA   ILE  87           HA       ILE  87  -2.419  -6.160  -3.027
  680    HB   ILE  87           HB       ILE  87  -2.516  -4.593  -1.029
  681   HG12  ILE  87          1HG1      ILE  87  -1.584  -2.486  -3.035
  682   HG13  ILE  87          2HG1      ILE  87  -3.236  -2.571  -2.439
  683   HG21  ILE  87          1HG2      ILE  87  -0.020  -4.353  -2.734
  684   HG22  ILE  87          2HG2      ILE  87  -0.416  -5.728  -1.717
  685   HG23  ILE  87          3HG2      ILE  87  -0.109  -4.155  -0.992
  686   HD11  ILE  87          3HD1      ILE  87  -0.780  -2.215  -0.709
  687   HD12  ILE  87          1HD1      ILE  87  -2.444  -2.320  -0.130
  688   HD13  ILE  87          2HD1      ILE  87  -1.937  -0.958  -1.134
  689    H    THR  88           H        THR  88  -4.178  -6.250  -1.481
  690    HA   THR  88           HA       THR  88  -6.678  -4.856  -2.353
  691    HB   THR  88           HB       THR  88  -6.395  -7.787  -1.668
  692    HG1  THR  88           HG1      THR  88  -5.686  -6.884  -3.790
  693   HG21  THR  88          3HG2      THR  88  -8.799  -6.078  -2.419
  694   HG22  THR  88          1HG2      THR  88  -8.573  -7.001  -0.931
  695   HG23  THR  88          2HG2      THR  88  -8.808  -7.838  -2.464
  696    H    LEU  89           H        LEU  89  -7.616  -3.843  -0.723
  697    HA   LEU  89           HA       LEU  89  -6.967  -4.546   2.097
  698    HB2  LEU  89           1HB      LEU  89  -7.941  -1.948   0.878
  699    HB3  LEU  89           2HB      LEU  89  -7.524  -2.187   2.569
  700    HG   LEU  89           HG       LEU  89  -5.445  -2.773   0.419
  701   HD11  LEU  89          1HD1      LEU  89  -6.266  -0.502  -0.072
  702   HD12  LEU  89          2HD1      LEU  89  -4.627  -0.480   0.557
  703   HD13  LEU  89          3HD1      LEU  89  -5.978  -0.037   1.604
  704   HD21  LEU  89          3HD2      LEU  89  -5.197  -1.728   3.264
  705   HD22  LEU  89          1HD2      LEU  89  -3.873  -2.212   2.209
  706   HD23  LEU  89          2HD2      LEU  89  -5.010  -3.413   2.805
  707    H    VAL  90           H        VAL  90  -8.623  -5.089   3.448
  708    HA   VAL  90           HA       VAL  90 -11.384  -4.398   2.889
  709    HB   VAL  90           HB       VAL  90 -12.115  -6.818   3.044
  710   HG11  VAL  90          1HG1      VAL  90 -10.370  -6.340   0.601
  711   HG12  VAL  90          2HG1      VAL  90 -11.926  -5.548   0.839
  712   HG13  VAL  90          3HG1      VAL  90 -11.835  -7.301   0.703
  713   HG21  VAL  90          3HG2      VAL  90 -10.393  -8.558   2.447
  714   HG22  VAL  90          1HG2      VAL  90 -10.082  -7.802   4.008
  715   HG23  VAL  90          2HG2      VAL  90  -9.140  -7.332   2.595
  716    H    ASP  91           H        ASP  91 -12.489  -4.198   4.830
  717    HA   ASP  91           HA       ASP  91 -11.614  -3.763   7.231
  718    HB2  ASP  91           1HB      ASP  91 -13.907  -5.603   6.518
  719    HB3  ASP  91           2HB      ASP  91 -13.708  -4.892   8.121
  720    H    ASP  92           H        ASP  92 -12.899  -7.039   7.219
  721    HA   ASP  92           HA       ASP  92 -10.459  -8.409   7.728
  722    HB2  ASP  92           1HB      ASP  92 -10.633  -7.123   9.868
  723    HB3  ASP  92           2HB      ASP  92 -12.182  -7.901  10.181
  724    H    LEU  93           H        LEU  93 -12.632  -8.801   6.048
  725    HA   LEU  93           HA       LEU  93 -14.089 -10.425   5.318
  726    HB2  LEU  93           1HB      LEU  93 -12.649 -12.205   7.318
  727    HB3  LEU  93           2HB      LEU  93 -13.509 -12.719   5.870
  728    HG   LEU  93           HG       LEU  93 -10.996 -11.002   5.917
  729   HD11  LEU  93          1HD1      LEU  93 -10.574 -13.335   6.572
  730   HD12  LEU  93          2HD1      LEU  93  -9.898 -13.009   4.976
  731   HD13  LEU  93          3HD1      LEU  93 -11.410 -13.906   5.127
  732   HD21  LEU  93          3HD2      LEU  93 -12.731 -12.034   3.636
  733   HD22  LEU  93          1HD2      LEU  93 -11.037 -11.610   3.387
  734   HD23  LEU  93          2HD2      LEU  93 -12.170 -10.385   3.925
  735    H    GLU  94           H        GLU  94 -15.685  -9.065   6.505
  736    HA   GLU  94           HA       GLU  94 -17.149 -10.680   8.544
  737    HB2  GLU  94           1HB      GLU  94 -16.732  -7.673   8.570
  738    HB3  GLU  94           2HB      GLU  94 -17.755  -8.579   9.688
  739    HG2  GLU  94           1HG      GLU  94 -15.776  -9.863  10.451
  740    HG3  GLU  94           2HG      GLU  94 -14.760  -8.943   9.346
  741    H    HIS  95           H        HIS  95 -18.881 -11.366   7.422
  742    HA   HIS  95           HA       HIS  95 -20.193  -9.689   5.400
  743    HB2  HIS  95           1HB      HIS  95 -20.845 -12.489   6.389
  744    HB3  HIS  95           2HB      HIS  95 -21.546 -11.693   4.979
  745    HD1  HIS  95           HD1      HIS  95 -19.711 -10.973   3.079
  746    HD2  HIS  95           HD2      HIS  95 -18.491 -13.847   5.845
  747    HE1  HIS  95           HE1      HIS  95 -17.679 -12.106   2.086
  748    HE2  HIS  95           HE2      HIS  95 -16.919 -13.861   3.755
  749    H    HIS  96           H        HIS  96 -20.504 -10.467   8.741
  750    HA   HIS  96           HA       HIS  96 -23.338 -10.071   9.024
  751    HB2  HIS  96           1HB      HIS  96 -21.104  -9.829  11.072
  752    HB3  HIS  96           2HB      HIS  96 -22.827  -9.926  11.436
  753    HD1  HIS  96           HD1      HIS  96 -19.939 -11.989  10.197
  754    HD2  HIS  96           HD2      HIS  96 -23.961 -12.521  11.156
  755    HE1  HIS  96           HE1      HIS  96 -20.339 -14.485  10.237
  756    HE2  HIS  96           HE2      HIS  96 -22.786 -14.832  10.819
  757    H    HIS  97           H        HIS  97 -24.445  -8.195   9.094
  758    HA   HIS  97           HA       HIS  97 -23.399  -5.753  10.164
  759    HB2  HIS  97           1HB      HIS  97 -22.235  -5.829   7.931
  760    HB3  HIS  97           2HB      HIS  97 -23.809  -5.814   7.146
  761    HD1  HIS  97           HD1      HIS  97 -21.789  -3.710   9.598
  762    HD2  HIS  97           HD2      HIS  97 -24.823  -3.246   6.775
  763    HE1  HIS  97           HE1      HIS  97 -22.234  -1.227   9.432
  764    HE2  HIS  97           HE2      HIS  97 -24.081  -0.921   7.717
  765    H    HIS  98           H        HIS  98 -25.742  -7.558  10.310
  766    HA   HIS  98           HA       HIS  98 -28.015  -6.365   9.092
  767    HB2  HIS  98           1HB      HIS  98 -27.771  -8.033  11.622
  768    HB3  HIS  98           2HB      HIS  98 -29.296  -7.629  10.834
  769    HD1  HIS  98           HD1      HIS  98 -26.261  -9.789  10.473
  770    HD2  HIS  98           HD2      HIS  98 -29.754  -8.980   8.348
  771    HE1  HIS  98           HE1      HIS  98 -26.438 -11.571   8.689
  772    HE2  HIS  98           HE2      HIS  98 -28.561 -11.096   7.382
  773    H    HIS  99           H        HIS  99 -26.410  -5.851  12.223
  774    HA   HIS  99           HA       HIS  99 -27.422  -3.152  12.398
  775    HB2  HIS  99           1HB      HIS  99 -29.404  -4.449  13.165
  776    HB3  HIS  99           2HB      HIS  99 -28.424  -5.180  14.431
  777    HD1  HIS  99           HD1      HIS  99 -27.605  -3.609  16.369
  778    HD2  HIS  99           HD2      HIS  99 -30.204  -1.776  13.669
  779    HE1  HIS  99           HE1      HIS  99 -28.344  -1.441  17.437
  780    HE2  HIS  99           HE2      HIS  99 -29.927  -0.304  15.815
  781    H    HIS 100           H        HIS 100 -26.259  -1.918  13.816
  782    HA   HIS 100           HA       HIS 100 -24.463  -1.267  15.059
  783    HB2  HIS 100           1HB      HIS 100 -25.768  -2.476  16.821
  784    HB3  HIS 100           2HB      HIS 100 -24.850  -3.934  16.463
  785    HD1  HIS 100           HD1      HIS 100 -22.484  -4.106  17.407
  786    HD2  HIS 100           HD2      HIS 100 -24.173  -0.338  17.990
  787    HE1  HIS 100           HE1      HIS 100 -20.915  -2.851  18.942
  788    HE2  HIS 100           HE2      HIS 100 -21.926  -0.552  19.310
  Start of MODEL    5
    1    H1   MET   1           1H       MET   1 -20.635  -0.746  17.509
    2    H2   MET   1           2H       MET   1 -19.553  -2.002  17.130
    3    H3   MET   1           3H       MET   1 -19.103  -0.791  18.232
    4    HA   MET   1           HA       MET   1 -20.964  -1.538  19.698
    5    HB2  MET   1           1HB      MET   1 -20.916  -3.826  17.697
    6    HB3  MET   1           2HB      MET   1 -21.787  -3.855  19.229
    7    HG2  MET   1           1HG      MET   1 -23.112  -1.886  18.514
    8    HG3  MET   1           2HG      MET   1 -22.266  -1.886  16.967
    9    HE1  MET   1           3HE      MET   1 -23.175  -3.086  14.919
   10    HE2  MET   1           1HE      MET   1 -23.608  -4.800  15.005
   11    HE3  MET   1           2HE      MET   1 -22.043  -4.253  15.591
   12    H    VAL   2           H        VAL   2 -19.057  -4.161  18.197
   13    HA   VAL   2           HA       VAL   2 -17.905  -4.987  20.672
   14    HB   VAL   2           HB       VAL   2 -16.411  -6.390  19.235
   15   HG11  VAL   2          1HG1      VAL   2 -18.219  -7.729  18.221
   16   HG12  VAL   2          2HG1      VAL   2 -19.332  -6.373  18.404
   17   HG13  VAL   2          3HG1      VAL   2 -18.673  -7.172  19.831
   18   HG21  VAL   2          3HG2      VAL   2 -17.817  -4.930  16.962
   19   HG22  VAL   2          1HG2      VAL   2 -16.764  -6.332  16.769
   20   HG23  VAL   2          2HG2      VAL   2 -16.103  -4.811  17.357
   21    H    LYS   3           H        LYS   3 -15.847  -4.674  21.498
   22    HA   LYS   3           HA       LYS   3 -14.720  -2.121  21.198
   23    HB2  LYS   3           1HB      LYS   3 -14.490  -3.757  23.171
   24    HB3  LYS   3           2HB      LYS   3 -13.255  -4.583  22.230
   25    HG2  LYS   3           1HG      LYS   3 -11.903  -3.098  23.473
   26    HG3  LYS   3           2HG      LYS   3 -12.181  -2.123  22.031
   27    HD2  LYS   3           1HD      LYS   3 -14.076  -0.983  23.207
   28    HD3  LYS   3           2HD      LYS   3 -13.739  -1.946  24.642
   29    HE2  LYS   3           1HE      LYS   3 -12.693   0.264  24.843
   30    HE3  LYS   3           2HE      LYS   3 -11.447  -0.982  24.724
   31    HZ1  LYS   3           3HZ      LYS   3 -12.457   0.367  22.306
   32    HZ2  LYS   3           1HZ      LYS   3 -10.974  -0.417  22.547
   33    HZ3  LYS   3           2HZ      LYS   3 -11.256   1.102  23.259
   34    H    VAL   4           H        VAL   4 -13.649  -1.343  19.471
   35    HA   VAL   4           HA       VAL   4 -12.293  -3.156  17.592
   36    HB   VAL   4           HB       VAL   4 -12.636  -0.132  17.430
   37   HG11  VAL   4          1HG1      VAL   4 -10.902  -1.059  15.932
   38   HG12  VAL   4          2HG1      VAL   4 -12.303  -0.541  15.000
   39   HG13  VAL   4          3HG1      VAL   4 -12.050  -2.255  15.327
   40   HG21  VAL   4          3HG2      VAL   4 -14.578  -0.653  15.956
   41   HG22  VAL   4          1HG2      VAL   4 -14.842  -1.213  17.606
   42   HG23  VAL   4          2HG2      VAL   4 -14.399  -2.364  16.345
   43    H    THR   5           H        THR   5 -10.393  -3.794  18.531
   44    HA   THR   5           HA       THR   5  -8.642  -2.109  20.025
   45    HB   THR   5           HB       THR   5  -7.037  -3.968  19.777
   46    HG1  THR   5           HG1      THR   5  -7.533  -5.665  18.438
   47   HG21  THR   5          3HG2      THR   5  -8.433  -5.733  20.783
   48   HG22  THR   5          1HG2      THR   5  -9.889  -4.904  20.232
   49   HG23  THR   5          2HG2      THR   5  -8.852  -4.154  21.447
   50    H    TYR   6           H        TYR   6  -7.615  -3.747  17.047
   51    HA   TYR   6           HA       TYR   6  -5.813  -1.620  16.345
   52    HB2  TYR   6           1HB      TYR   6  -6.771  -4.009  14.725
   53    HB3  TYR   6           2HB      TYR   6  -5.428  -2.954  14.285
   54    HD1  TYR   6           HD2      TYR   6  -3.353  -2.890  15.670
   55    HD2  TYR   6           HD1      TYR   6  -6.517  -5.666  16.517
   56    HE1  TYR   6           HE2      TYR   6  -1.815  -4.204  17.100
   57    HE2  TYR   6           HE1      TYR   6  -4.982  -6.983  17.948
   58    HH   TYR   6           HH       TYR   6  -2.531  -6.087  19.313
   59    H    ASP   7           H        ASP   7  -5.912  -0.226  14.582
   60    HA   ASP   7           HA       ASP   7  -8.544   0.177  13.254
   61    HB2  ASP   7           1HB      ASP   7  -8.299   1.768  15.159
   62    HB3  ASP   7           2HB      ASP   7  -6.800   2.362  14.450
   63    H    GLY   8           H        GLY   8  -7.739  -0.730  11.373
   64    HA2  GLY   8           1HA      GLY   8  -6.350   1.031   9.598
   65    HA3  GLY   8           2HA      GLY   8  -5.319  -0.316  10.097
   66    H    VAL   9           H        VAL   9  -5.353  -0.944   7.841
   67    HA   VAL   9           HA       VAL   9  -7.837  -2.416   7.040
   68    HB   VAL   9           HB       VAL   9  -6.978  -2.118   4.687
   69   HG11  VAL   9          1HG1      VAL   9  -7.529   0.433   6.238
   70   HG12  VAL   9          2HG1      VAL   9  -8.751  -0.667   5.601
   71   HG13  VAL   9          3HG1      VAL   9  -7.716   0.232   4.494
   72   HG21  VAL   9          3HG2      VAL   9  -5.313  -0.314   4.286
   73   HG22  VAL   9          1HG2      VAL   9  -4.606  -1.639   5.201
   74   HG23  VAL   9          2HG2      VAL   9  -5.080  -0.159   6.025
   75    H    TYR  10           H        TYR  10  -7.658  -4.535   6.903
   76    HA   TYR  10           HA       TYR  10  -5.100  -5.860   7.374
   77    HB2  TYR  10           1HB      TYR  10  -8.003  -6.730   7.150
   78    HB3  TYR  10           2HB      TYR  10  -6.714  -7.926   7.197
   79    HD1  TYR  10           HD1      TYR  10  -7.353  -4.685   9.058
   80    HD2  TYR  10           HD2      TYR  10  -6.606  -8.909   9.355
   81    HE1  TYR  10           HE1      TYR  10  -7.308  -4.494  11.510
   82    HE2  TYR  10           HE2      TYR  10  -6.585  -8.722  11.819
   83    HH   TYR  10           HH       TYR  10  -6.589  -5.632  13.429
   84    H    VAL  11           H        VAL  11  -4.111  -7.245   5.955
   85    HA   VAL  11           HA       VAL  11  -4.915  -7.058   3.084
   86    HB   VAL  11           HB       VAL  11  -2.184  -7.682   4.269
   87   HG11  VAL  11          1HG1      VAL  11  -2.498  -8.743   2.071
   88   HG12  VAL  11          2HG1      VAL  11  -1.435  -7.355   1.893
   89   HG13  VAL  11          3HG1      VAL  11  -3.123  -7.236   1.403
   90   HG21  VAL  11          3HG2      VAL  11  -1.595  -5.425   3.444
   91   HG22  VAL  11          1HG2      VAL  11  -2.891  -5.331   4.632
   92   HG23  VAL  11          2HG2      VAL  11  -3.259  -5.177   2.915
   93    H    LEU  12           H        LEU  12  -5.473  -8.857   2.042
   94    HA   LEU  12           HA       LEU  12  -5.616 -11.343   3.543
   95    HB2  LEU  12           1HB      LEU  12  -7.360 -10.208   1.815
   96    HB3  LEU  12           2HB      LEU  12  -6.467 -11.184   0.658
   97    HG   LEU  12           HG       LEU  12  -8.387 -12.457   1.466
   98   HD11  LEU  12          1HD1      LEU  12  -5.979 -13.668   2.856
   99   HD12  LEU  12          2HD1      LEU  12  -6.085 -13.584   1.096
  100   HD13  LEU  12          3HD1      LEU  12  -7.291 -14.487   2.011
  101   HD21  LEU  12          3HD2      LEU  12  -8.080 -11.143   3.903
  102   HD22  LEU  12          1HD2      LEU  12  -7.472 -12.747   4.300
  103   HD23  LEU  12          2HD2      LEU  12  -9.093 -12.557   3.648
  104    H    SER  13           H        SER  13  -4.178 -10.295   0.467
  105    HA   SER  13           HA       SER  13  -1.869 -11.972   0.831
  106    HB2  SER  13           1HB      SER  13  -2.274 -13.547  -0.991
  107    HB3  SER  13           2HB      SER  13  -3.544 -13.690   0.216
  108    HG   SER  13           HG       SER  13  -4.440 -11.881  -1.356
  109    H    VAL  14           H        VAL  14  -0.427 -11.939  -0.991
  110    HA   VAL  14           HA       VAL  14  -0.632  -9.407  -2.555
  111    HB   VAL  14           HB       VAL  14   1.833 -11.089  -1.910
  112   HG11  VAL  14          1HG1      VAL  14   3.036  -9.013  -2.604
  113   HG12  VAL  14          2HG1      VAL  14   1.494  -8.283  -3.043
  114   HG13  VAL  14          3HG1      VAL  14   2.084  -9.691  -3.923
  115   HG21  VAL  14          3HG2      VAL  14   0.808  -8.550  -0.590
  116   HG22  VAL  14          1HG2      VAL  14   2.347  -9.333  -0.247
  117   HG23  VAL  14          2HG2      VAL  14   0.837 -10.148   0.149
  118    H    LYS  15           H        LYS  15  -0.862  -9.562  -4.690
  119    HA   LYS  15           HA       LYS  15  -1.319 -11.991  -6.016
  120    HB2  LYS  15           1HB      LYS  15  -0.675  -9.258  -7.139
  121    HB3  LYS  15           2HB      LYS  15  -1.261 -10.614  -8.108
  122    HG2  LYS  15           1HG      LYS  15  -3.300 -10.729  -6.690
  123    HG3  LYS  15           2HG      LYS  15  -2.720  -9.345  -5.761
  124    HD2  LYS  15           1HD      LYS  15  -2.761  -7.955  -7.799
  125    HD3  LYS  15           2HD      LYS  15  -3.319  -9.335  -8.738
  126    HE2  LYS  15           1HE      LYS  15  -5.211  -7.891  -8.107
  127    HE3  LYS  15           2HE      LYS  15  -5.349  -9.468  -7.328
  128    HZ1  LYS  15           3HZ      LYS  15  -5.206  -8.531  -5.335
  129    HZ2  LYS  15           1HZ      LYS  15  -5.360  -7.021  -6.088
  130    HZ3  LYS  15           2HZ      LYS  15  -3.816  -7.651  -5.758
  131    H    GLU  16           H        GLU  16   1.535 -10.056  -5.726
  132    HA   GLU  16           HA       GLU  16   3.743 -10.773  -5.717
  133    HB2  GLU  16           1HB      GLU  16   2.850 -13.187  -5.711
  134    HB3  GLU  16           2HB      GLU  16   3.008 -13.155  -7.460
  135    HG2  GLU  16           1HG      GLU  16   5.406 -12.752  -7.296
  136    HG3  GLU  16           2HG      GLU  16   5.301 -12.622  -5.544
  137    H    ASP  17           H        ASP  17   5.497 -10.872  -7.339
  138    HA   ASP  17           HA       ASP  17   6.568 -10.118  -9.198
  139    HB2  ASP  17           1HB      ASP  17   5.679 -10.760 -11.239
  140    HB3  ASP  17           2HB      ASP  17   4.425 -11.502 -10.259
  141    H    VAL  18           H        VAL  18   4.220  -8.548  -7.539
  142    HA   VAL  18           HA       VAL  18   4.377  -6.001  -9.000
  143    HB   VAL  18           HB       VAL  18   2.658  -5.310  -7.197
  144   HG11  VAL  18          1HG1      VAL  18   1.993  -7.691  -8.960
  145   HG12  VAL  18          2HG1      VAL  18   1.999  -6.004  -9.475
  146   HG13  VAL  18          3HG1      VAL  18   0.832  -6.554  -8.281
  147   HG21  VAL  18          3HG2      VAL  18   2.638  -8.299  -6.631
  148   HG22  VAL  18          1HG2      VAL  18   1.606  -7.074  -5.898
  149   HG23  VAL  18          2HG2      VAL  18   3.334  -7.092  -5.553
  150    HA   PRO  19           HA       PRO  19   7.479  -4.187  -6.408
  151    HB2  PRO  19           1HB      PRO  19   6.380  -1.671  -5.786
  152    HB3  PRO  19           2HB      PRO  19   7.186  -2.071  -7.320
  153    HG2  PRO  19           1HG      PRO  19   4.242  -2.106  -6.679
  154    HG3  PRO  19           2HG      PRO  19   5.072  -1.432  -8.093
  155    HD2  PRO  19           1HD      PRO  19   3.893  -3.786  -8.318
  156    HD3  PRO  19           2HD      PRO  19   5.504  -3.583  -9.027
  157    H    ALA  20           H        ALA  20   4.221  -4.453  -5.194
  158    HA   ALA  20           HA       ALA  20   4.670  -3.737  -2.480
  159    HB1  ALA  20           3HB      ALA  20   2.649  -5.641  -3.684
  160    HB2  ALA  20           1HB      ALA  20   2.447  -3.912  -3.442
  161    HB3  ALA  20           2HB      ALA  20   2.581  -4.976  -2.049
  162    H    ALA  21           H        ALA  21   5.465  -6.568  -4.311
  163    HA   ALA  21           HA       ALA  21   5.696  -8.406  -2.132
  164    HB1  ALA  21           3HB      ALA  21   5.349  -9.139  -4.455
  165    HB2  ALA  21           1HB      ALA  21   6.833  -9.822  -3.794
  166    HB3  ALA  21           2HB      ALA  21   6.909  -8.459  -4.912
  167    H    GLY  22           H        GLY  22   7.392  -8.818  -0.869
  168    HA2  GLY  22           1HA      GLY  22   9.639  -8.957  -0.190
  169    HA3  GLY  22           2HA      GLY  22  10.102  -7.836  -1.466
  170    H    ILE  23           H        ILE  23   7.768  -6.068  -0.593
  171    HA   ILE  23           HA       ILE  23   9.214  -4.653   1.590
  172    HB   ILE  23           HB       ILE  23   7.068  -3.635  -0.317
  173   HG12  ILE  23          1HG1      ILE  23  10.090  -3.197  -0.358
  174   HG13  ILE  23          2HG1      ILE  23   9.239  -4.289  -1.442
  175   HG21  ILE  23          1HG2      ILE  23   7.183  -2.374   1.811
  176   HG22  ILE  23          2HG2      ILE  23   7.833  -1.402   0.501
  177   HG23  ILE  23          3HG2      ILE  23   8.925  -2.207   1.621
  178   HD11  ILE  23          3HD1      ILE  23   9.576  -2.236  -2.633
  179   HD12  ILE  23          1HD1      ILE  23   8.948  -1.281  -1.294
  180   HD13  ILE  23          2HD1      ILE  23   7.863  -2.313  -2.228
  181    H    LEU  24           H        LEU  24   5.899  -5.506   0.569
  182    HA   LEU  24           HA       LEU  24   4.961  -5.285   3.389
  183    HB2  LEU  24           1HB      LEU  24   3.553  -5.009   0.718
  184    HB3  LEU  24           2HB      LEU  24   2.654  -5.168   2.225
  185    HG   LEU  24           HG       LEU  24   4.779  -2.989   1.942
  186   HD11  LEU  24          1HD1      LEU  24   3.280  -2.673   0.029
  187   HD12  LEU  24          2HD1      LEU  24   2.975  -1.426   1.236
  188   HD13  LEU  24          3HD1      LEU  24   1.871  -2.794   1.080
  189   HD21  LEU  24          3HD2      LEU  24   3.392  -1.852   3.628
  190   HD22  LEU  24          1HD2      LEU  24   3.804  -3.457   4.213
  191   HD23  LEU  24          2HD2      LEU  24   2.197  -3.146   3.569
  192    H    HIS  25           H        HIS  25   3.462  -6.829   4.139
  193    HA   HIS  25           HA       HIS  25   3.423  -9.446   2.740
  194    HB2  HIS  25           1HB      HIS  25   5.325  -9.385   4.376
  195    HB3  HIS  25           2HB      HIS  25   4.171  -9.058   5.667
  196    HD1  HIS  25           HD1      HIS  25   3.038 -11.069   6.693
  197    HD2  HIS  25           HD2      HIS  25   4.800 -11.970   3.024
  198    HE1  HIS  25           HE1      HIS  25   2.793 -13.564   6.374
  199    HE2  HIS  25           HE2      HIS  25   3.859 -14.139   4.143
  200    H    ALA  26           H        ALA  26   1.759 -10.811   3.370
  201    HA   ALA  26           HA       ALA  26  -0.739  -9.652   3.803
  202    HB1  ALA  26           3HB      ALA  26  -1.542 -11.955   4.132
  203    HB2  ALA  26           1HB      ALA  26   0.120 -12.508   4.356
  204    HB3  ALA  26           2HB      ALA  26  -0.395 -11.876   2.795
  205    H    GLY  27           H        GLY  27  -2.073  -9.441   5.572
  206    HA2  GLY  27           1HA      GLY  27  -2.751  -9.559   7.813
  207    HA3  GLY  27           2HA      GLY  27  -1.201 -10.269   8.256
  208    H    ASP  28           H        ASP  28  -0.184  -7.842   6.423
  209    HA   ASP  28           HA       ASP  28   0.578  -6.165   8.608
  210    HB2  ASP  28           1HB      ASP  28   1.930  -6.446   6.542
  211    HB3  ASP  28           2HB      ASP  28   0.699  -5.575   5.632
  212    H    LEU  29           H        LEU  29  -0.166  -4.131   9.211
  213    HA   LEU  29           HA       LEU  29  -2.784  -3.261   8.079
  214    HB2  LEU  29           1HB      LEU  29  -1.762  -2.842  10.915
  215    HB3  LEU  29           2HB      LEU  29  -3.348  -2.406  10.275
  216    HG   LEU  29           HG       LEU  29  -3.502  -5.025   9.700
  217   HD11  LEU  29          1HD1      LEU  29  -2.386  -6.433  11.389
  218   HD12  LEU  29          2HD1      LEU  29  -1.585  -5.024  12.075
  219   HD13  LEU  29          3HD1      LEU  29  -1.169  -5.573  10.461
  220   HD21  LEU  29          3HD2      LEU  29  -4.560  -5.395  11.907
  221   HD22  LEU  29          1HD2      LEU  29  -5.007  -3.832  11.231
  222   HD23  LEU  29          2HD2      LEU  29  -3.803  -3.927  12.515
  223    H    ILE  30           H        ILE  30  -2.666  -1.375   7.000
  224    HA   ILE  30           HA       ILE  30  -0.346   0.332   7.253
  225    HB   ILE  30           HB       ILE  30  -2.915   0.880   5.721
  226   HG12  ILE  30          1HG1      ILE  30  -2.135  -1.343   5.058
  227   HG13  ILE  30          2HG1      ILE  30  -1.796  -0.197   3.774
  228   HG21  ILE  30          1HG2      ILE  30  -1.350   2.167   4.258
  229   HG22  ILE  30          2HG2      ILE  30  -0.043   1.821   5.379
  230   HG23  ILE  30          3HG2      ILE  30  -1.418   2.797   5.901
  231   HD11  ILE  30          3HD1      ILE  30   0.590  -0.028   4.837
  232   HD12  ILE  30          1HD1      ILE  30   0.169  -1.477   3.928
  233   HD13  ILE  30          2HD1      ILE  30   0.132  -1.507   5.684
  234    H    THR  31           H        THR  31  -0.154   1.989   8.606
  235    HA   THR  31           HA       THR  31  -2.399   2.803  10.316
  236    HB   THR  31           HB       THR  31  -0.652   4.073  11.533
  237    HG1  THR  31           HG1      THR  31   1.319   2.878   9.971
  238   HG21  THR  31          3HG2      THR  31  -1.046   1.725  12.129
  239   HG22  THR  31          1HG2      THR  31   0.667   2.115  12.285
  240   HG23  THR  31          2HG2      THR  31   0.093   1.200  10.893
  241    H    GLU  32           H        GLU  32  -0.076   4.319   8.049
  242    HA   GLU  32           HA       GLU  32  -2.083   6.271   7.264
  243    HB2  GLU  32           1HB      GLU  32  -1.106   7.216   9.345
  244    HB3  GLU  32           2HB      GLU  32   0.482   7.198   8.583
  245    HG2  GLU  32           1HG      GLU  32  -0.290   8.756   6.855
  246    HG3  GLU  32           2HG      GLU  32  -1.929   8.707   7.497
  247    H    ILE  33           H        ILE  33  -1.669   7.263   5.308
  248    HA   ILE  33           HA       ILE  33   0.909   6.754   3.979
  249    HB   ILE  33           HB       ILE  33  -0.776   4.871   3.460
  250   HG12  ILE  33          1HG1      ILE  33   0.269   6.508   1.116
  251   HG13  ILE  33          2HG1      ILE  33   1.208   5.347   2.041
  252   HG21  ILE  33          1HG2      ILE  33  -2.087   6.989   1.705
  253   HG22  ILE  33          2HG2      ILE  33  -2.761   6.419   3.232
  254   HG23  ILE  33          3HG2      ILE  33  -2.574   5.303   1.891
  255   HD11  ILE  33          3HD1      ILE  33  -1.159   4.780   0.274
  256   HD12  ILE  33          1HD1      ILE  33  -0.525   3.587   1.392
  257   HD13  ILE  33          2HD1      ILE  33   0.482   4.194   0.078
  258    H    ASP  34           H        ASP  34   1.567   8.443   2.852
  259    HA   ASP  34           HA       ASP  34   1.654  10.571   1.974
  260    HB2  ASP  34           1HB      ASP  34  -1.191   9.900   1.164
  261    HB3  ASP  34           2HB      ASP  34  -0.237  11.228   0.518
  262    H    GLY  35           H        GLY  35   0.499  10.081   4.761
  263    HA2  GLY  35           1HA      GLY  35   0.129  11.613   6.477
  264    HA3  GLY  35           2HA      GLY  35  -0.186  12.872   5.293
  265    H    GLN  36           H        GLN  36  -2.024  10.202   4.443
  266    HA   GLN  36           HA       GLN  36  -4.277  10.743   6.260
  267    HB2  GLN  36           1HB      GLN  36  -5.811  11.240   4.369
  268    HB3  GLN  36           2HB      GLN  36  -4.568  12.471   4.571
  269    HG2  GLN  36           1HG      GLN  36  -3.232  11.417   2.760
  270    HG3  GLN  36           2HG      GLN  36  -4.493  10.209   2.536
  271   HE21  GLN  36          2HE2      GLN  36  -4.658  11.119   0.263
  272   HE22  GLN  36          1HE2      GLN  36  -5.576  12.528   0.022
  273    H    SER  37           H        SER  37  -5.735   9.073   6.395
  274    HA   SER  37           HA       SER  37  -5.931   6.946   4.480
  275    HB2  SER  37           1HB      SER  37  -4.934   5.161   5.831
  276    HB3  SER  37           2HB      SER  37  -3.727   6.389   5.480
  277    HG   SER  37           HG       SER  37  -4.648   5.530   7.847
  278    H    PHE  38           H        PHE  38  -5.984   7.135   8.019
  279    HA   PHE  38           HA       PHE  38  -8.340   5.701   8.426
  280    HB2  PHE  38           1HB      PHE  38  -8.374   7.283  10.636
  281    HB3  PHE  38           2HB      PHE  38  -7.191   5.991  10.446
  282    HD1  PHE  38           HD1      PHE  38  -7.680   9.596   9.455
  283    HD2  PHE  38           HD2      PHE  38  -4.904   6.583  10.757
  284    HE1  PHE  38           HE1      PHE  38  -5.874  11.289   9.528
  285    HE2  PHE  38           HE2      PHE  38  -3.105   8.275  10.837
  286    HZ   PHE  38           HZ       PHE  38  -3.585  10.632  10.228
  287    H    LYS  39           H        LYS  39 -10.225   6.878   9.669
  288    HA   LYS  39           HA       LYS  39 -12.098   8.135   9.524
  289    HB2  LYS  39           1HB      LYS  39 -10.165   9.980   9.508
  290    HB3  LYS  39           2HB      LYS  39 -10.706  10.265   7.863
  291    HG2  LYS  39           1HG      LYS  39 -12.434  10.408  10.368
  292    HG3  LYS  39           2HG      LYS  39 -11.853  11.777   9.421
  293    HD2  LYS  39           1HD      LYS  39 -13.147  10.898   7.451
  294    HD3  LYS  39           2HD      LYS  39 -13.805   9.634   8.494
  295    HE2  LYS  39           1HE      LYS  39 -15.386  11.492   8.342
  296    HE3  LYS  39           2HE      LYS  39 -14.753  11.363   9.985
  297    HZ1  LYS  39           3HZ      LYS  39 -14.777  13.653   9.046
  298    HZ2  LYS  39           1HZ      LYS  39 -13.609  13.158   7.922
  299    HZ3  LYS  39           2HZ      LYS  39 -13.252  13.131   9.584
  300    H    SER  40           H        SER  40 -12.481   6.184   7.988
  301    HA   SER  40           HA       SER  40 -13.997   5.641   6.325
  302    HB2  SER  40           1HB      SER  40 -13.257   8.062   4.643
  303    HB3  SER  40           2HB      SER  40 -14.729   7.104   4.604
  304    HG   SER  40           HG       SER  40 -15.378   8.022   6.487
  305    H    SER  41           H        SER  41 -13.145   3.903   5.424
  306    HA   SER  41           HA       SER  41 -10.555   3.564   4.465
  307    HB2  SER  41           1HB      SER  41 -13.062   2.141   3.531
  308    HB3  SER  41           2HB      SER  41 -11.413   1.572   3.295
  309    HG   SER  41           HG       SER  41 -11.200   1.365   5.502
  310    H    GLN  42           H        GLN  42 -13.425   4.862   2.916
  311    HA   GLN  42           HA       GLN  42 -12.684   4.792   0.240
  312    HB2  GLN  42           1HB      GLN  42 -14.898   5.597   1.443
  313    HB3  GLN  42           2HB      GLN  42 -14.146   7.187   1.418
  314    HG2  GLN  42           1HG      GLN  42 -14.672   5.435  -1.014
  315    HG3  GLN  42           2HG      GLN  42 -15.595   6.863  -0.550
  316   HE21  GLN  42          2HE2      GLN  42 -13.272   5.946  -2.702
  317   HE22  GLN  42          1HE2      GLN  42 -12.429   7.411  -2.857
  318    H    GLU  43           H        GLU  43 -11.718   6.983   2.823
  319    HA   GLU  43           HA       GLU  43 -10.509   9.010   1.301
  320    HB2  GLU  43           1HB      GLU  43 -10.919   9.097   3.774
  321    HB3  GLU  43           2HB      GLU  43  -9.594   7.957   4.007
  322    HG2  GLU  43           1HG      GLU  43  -8.016   9.555   2.980
  323    HG3  GLU  43           2HG      GLU  43  -9.337  10.682   2.683
  324    H    PHE  44           H        PHE  44  -9.492   5.769   2.064
  325    HA   PHE  44           HA       PHE  44  -6.716   6.092   1.390
  326    HB2  PHE  44           1HB      PHE  44  -7.916   4.246   2.813
  327    HB3  PHE  44           2HB      PHE  44  -8.261   3.464   1.282
  328    HD1  PHE  44           HD1      PHE  44  -6.359   2.810  -0.246
  329    HD2  PHE  44           HD2      PHE  44  -5.670   4.193   3.750
  330    HE1  PHE  44           HE1      PHE  44  -4.054   1.900  -0.336
  331    HE2  PHE  44           HE2      PHE  44  -3.372   3.292   3.670
  332    HZ   PHE  44           HZ       PHE  44  -2.550   2.138   1.630
  333    H    ILE  45           H        ILE  45  -9.585   4.795  -0.288
  334    HA   ILE  45           HA       ILE  45  -8.281   4.142  -2.716
  335    HB   ILE  45           HB       ILE  45 -11.192   4.964  -2.394
  336   HG12  ILE  45          1HG1      ILE  45 -10.731   3.303  -0.674
  337   HG13  ILE  45          2HG1      ILE  45 -11.630   2.525  -1.970
  338   HG21  ILE  45          1HG2      ILE  45 -11.532   3.382  -4.273
  339   HG22  ILE  45          2HG2      ILE  45  -9.790   3.102  -4.345
  340   HG23  ILE  45          3HG2      ILE  45 -10.444   4.695  -4.718
  341   HD11  ILE  45          3HD1      ILE  45  -8.715   2.228  -1.248
  342   HD12  ILE  45          1HD1      ILE  45  -9.270   1.806  -2.867
  343   HD13  ILE  45          2HD1      ILE  45  -9.933   0.976  -1.464
  344    H    ASP  46           H        ASP  46  -9.532   7.093  -1.402
  345    HA   ASP  46           HA       ASP  46  -9.726   8.623  -3.788
  346    HB2  ASP  46           1HB      ASP  46 -10.679   9.349  -1.626
  347    HB3  ASP  46           2HB      ASP  46  -9.058   9.551  -0.980
  348    H    TYR  47           H        TYR  47  -7.037   7.897  -1.621
  349    HA   TYR  47           HA       TYR  47  -5.150   9.698  -2.787
  350    HB2  TYR  47           1HB      TYR  47  -4.162   9.024  -0.821
  351    HB3  TYR  47           2HB      TYR  47  -5.139   7.572  -0.724
  352    HD1  TYR  47           HD2      TYR  47  -2.163   9.045  -2.474
  353    HD2  TYR  47           HD1      TYR  47  -4.142   5.440  -1.241
  354    HE1  TYR  47           HE2      TYR  47  -0.226   7.707  -3.255
  355    HE2  TYR  47           HE1      TYR  47  -2.204   4.110  -2.000
  356    HH   TYR  47           HH       TYR  47   0.275   4.523  -2.403
  357    H    ILE  48           H        ILE  48  -5.846   6.223  -3.325
  358    HA   ILE  48           HA       ILE  48  -3.730   5.727  -5.088
  359    HB   ILE  48           HB       ILE  48  -6.496   4.397  -5.159
  360   HG12  ILE  48          1HG1      ILE  48  -4.078   3.686  -3.451
  361   HG13  ILE  48          2HG1      ILE  48  -5.552   4.430  -2.859
  362   HG21  ILE  48          1HG2      ILE  48  -4.999   3.832  -7.043
  363   HG22  ILE  48          2HG2      ILE  48  -5.198   2.446  -5.990
  364   HG23  ILE  48          3HG2      ILE  48  -3.724   3.408  -5.909
  365   HD11  ILE  48          3HD1      ILE  48  -6.840   2.447  -3.651
  366   HD12  ILE  48          1HD1      ILE  48  -5.657   2.057  -2.407
  367   HD13  ILE  48          2HD1      ILE  48  -5.317   1.680  -4.089
  368    H    HIS  49           H        HIS  49  -7.075   6.755  -5.758
  369    HA   HIS  49           HA       HIS  49  -6.744   6.772  -8.615
  370    HB2  HIS  49           1HB      HIS  49  -8.796   8.140  -6.846
  371    HB3  HIS  49           2HB      HIS  49  -8.922   7.942  -8.592
  372    HD1  HIS  49           HD1      HIS  49  -7.432   4.935  -7.249
  373    HD2  HIS  49           HD2      HIS  49 -11.313   6.426  -7.564
  374    HE1  HIS  49           HE1      HIS  49  -8.984   2.959  -6.975
  375    HE2  HIS  49           HE2      HIS  49 -11.356   3.842  -7.164
  376    H    SER  50           H        SER  50  -6.058   9.059  -6.051
  377    HA   SER  50           HA       SER  50  -6.043  11.382  -7.800
  378    HB2  SER  50           1HB      SER  50  -6.762  11.571  -5.467
  379    HB3  SER  50           2HB      SER  50  -5.186  11.014  -4.917
  380    HG   SER  50           HG       SER  50  -4.333  12.898  -5.439
  381    H    LYS  51           H        LYS  51  -3.919   8.860  -7.217
  382    HA   LYS  51           HA       LYS  51  -1.496  10.462  -7.649
  383    HB2  LYS  51           1HB      LYS  51  -2.031   8.291  -5.949
  384    HB3  LYS  51           2HB      LYS  51  -1.239   7.509  -7.307
  385    HG2  LYS  51           1HG      LYS  51   0.461   8.081  -5.761
  386    HG3  LYS  51           2HG      LYS  51   0.602   9.250  -7.066
  387    HD2  LYS  51           1HD      LYS  51  -0.586  10.939  -5.692
  388    HD3  LYS  51           2HD      LYS  51  -0.793   9.757  -4.414
  389    HE2  LYS  51           1HE      LYS  51   1.862  10.779  -5.455
  390    HE3  LYS  51           2HE      LYS  51   1.094  11.275  -3.950
  391    HZ1  LYS  51           3HZ      LYS  51   1.260   8.443  -4.156
  392    HZ2  LYS  51           1HZ      LYS  51   1.821   9.467  -2.931
  393    HZ3  LYS  51           2HZ      LYS  51   2.793   9.157  -4.290
  394    H    LYS  52           H        LYS  52   0.099   9.592  -9.152
  395    HA   LYS  52           HA       LYS  52  -1.140   8.494 -11.628
  396    HB2  LYS  52           1HB      LYS  52   1.038  10.575 -11.349
  397    HB3  LYS  52           2HB      LYS  52   0.466   9.887 -12.867
  398    HG2  LYS  52           1HG      LYS  52  -1.819  10.733 -12.371
  399    HG3  LYS  52           2HG      LYS  52  -1.211  11.460 -10.882
  400    HD2  LYS  52           1HD      LYS  52   0.336  12.869 -12.187
  401    HD3  LYS  52           2HD      LYS  52  -0.239  12.128 -13.682
  402    HE2  LYS  52           1HE      LYS  52  -1.368  14.280 -13.321
  403    HE3  LYS  52           2HE      LYS  52  -2.532  12.961 -13.194
  404    HZ1  LYS  52           3HZ      LYS  52  -2.659  13.172 -10.923
  405    HZ2  LYS  52           1HZ      LYS  52  -2.470  14.790 -11.388
  406    HZ3  LYS  52           2HZ      LYS  52  -1.140  13.922 -10.787
  407    H    VAL  53           H        VAL  53   0.548   7.600 -13.095
  408    HA   VAL  53           HA       VAL  53   1.924   5.476 -11.760
  409    HB   VAL  53           HB       VAL  53   2.216   6.342 -14.669
  410   HG11  VAL  53          1HG1      VAL  53   2.624   3.664 -13.282
  411   HG12  VAL  53          2HG1      VAL  53   3.906   4.694 -13.922
  412   HG13  VAL  53          3HG1      VAL  53   2.753   3.943 -15.017
  413   HG21  VAL  53          3HG2      VAL  53   0.413   4.686 -15.111
  414   HG22  VAL  53          1HG2      VAL  53  -0.154   6.025 -14.116
  415   HG23  VAL  53          2HG2      VAL  53   0.205   4.461 -13.373
  416    H    GLY  54           H        GLY  54   3.977   5.308 -11.124
  417    HA2  GLY  54           1HA      GLY  54   6.297   5.629 -11.163
  418    HA3  GLY  54           2HA      GLY  54   6.108   7.043 -12.187
  419    H    ASP  55           H        ASP  55   3.837   7.436  -9.929
  420    HA   ASP  55           HA       ASP  55   5.194   9.525  -8.538
  421    HB2  ASP  55           1HB      ASP  55   2.565   8.110  -7.981
  422    HB3  ASP  55           2HB      ASP  55   3.096   9.577  -7.162
  423    H    THR  56           H        THR  56   5.979   9.622  -6.456
  424    HA   THR  56           HA       THR  56   6.720   7.068  -5.188
  425    HB   THR  56           HB       THR  56   7.480   9.907  -4.396
  426    HG1  THR  56           HG1      THR  56   9.106   9.737  -5.750
  427   HG21  THR  56          3HG2      THR  56   8.623   7.180  -3.677
  428   HG22  THR  56          1HG2      THR  56   7.830   8.313  -2.581
  429   HG23  THR  56          2HG2      THR  56   9.391   8.718  -3.290
  430    H    VAL  57           H        VAL  57   6.266   6.656  -2.947
  431    HA   VAL  57           HA       VAL  57   4.145   8.295  -1.683
  432    HB   VAL  57           HB       VAL  57   3.356   6.112  -3.066
  433   HG11  VAL  57          1HG1      VAL  57   4.950   4.631  -1.629
  434   HG12  VAL  57          2HG1      VAL  57   3.294   4.059  -1.839
  435   HG13  VAL  57          3HG1      VAL  57   3.776   4.835  -0.334
  436   HG21  VAL  57          3HG2      VAL  57   1.439   5.898  -1.420
  437   HG22  VAL  57          1HG2      VAL  57   1.802   7.555  -1.899
  438   HG23  VAL  57          2HG2      VAL  57   2.330   6.952  -0.329
  439    H    LYS  58           H        LYS  58   3.808   7.819   0.520
  440    HA   LYS  58           HA       LYS  58   6.198   6.716   1.947
  441    HB2  LYS  58           1HB      LYS  58   5.872   9.202   2.158
  442    HB3  LYS  58           2HB      LYS  58   4.288   8.904   2.874
  443    HG2  LYS  58           1HG      LYS  58   5.328   7.633   4.709
  444    HG3  LYS  58           2HG      LYS  58   6.922   7.854   3.981
  445    HD2  LYS  58           1HD      LYS  58   6.676  10.313   4.223
  446    HD3  LYS  58           2HD      LYS  58   5.102  10.068   4.984
  447    HE2  LYS  58           1HE      LYS  58   7.752   9.027   6.026
  448    HE3  LYS  58           2HE      LYS  58   6.843  10.382   6.692
  449    HZ1  LYS  58           3HZ      LYS  58   4.982   8.850   7.088
  450    HZ2  LYS  58           1HZ      LYS  58   6.373   8.403   7.947
  451    HZ3  LYS  58           2HZ      LYS  58   5.939   7.556   6.540
  452    H    ILE  59           H        ILE  59   5.665   4.796   2.832
  453    HA   ILE  59           HA       ILE  59   2.848   4.252   3.591
  454    HB   ILE  59           HB       ILE  59   4.337   2.733   1.995
  455   HG12  ILE  59          1HG1      ILE  59   3.208   0.608   3.210
  456   HG13  ILE  59          2HG1      ILE  59   2.446   1.839   4.216
  457   HG21  ILE  59          1HG2      ILE  59   6.197   2.634   3.782
  458   HG22  ILE  59          2HG2      ILE  59   5.748   1.110   3.028
  459   HG23  ILE  59          3HG2      ILE  59   5.175   1.503   4.640
  460   HD11  ILE  59          3HD1      ILE  59   2.258   1.513   1.214
  461   HD12  ILE  59          1HD1      ILE  59   1.669   2.941   2.053
  462   HD13  ILE  59          2HD1      ILE  59   0.953   1.371   2.390
  463    H    LYS  60           H        LYS  60   2.271   3.605   5.627
  464    HA   LYS  60           HA       LYS  60   4.401   3.414   7.690
  465    HB2  LYS  60           1HB      LYS  60   3.116   5.701   7.605
  466    HB3  LYS  60           2HB      LYS  60   1.719   4.797   8.167
  467    HG2  LYS  60           1HG      LYS  60   2.612   5.469  10.233
  468    HG3  LYS  60           2HG      LYS  60   3.379   3.896  10.043
  469    HD2  LYS  60           1HD      LYS  60   5.263   5.213  10.572
  470    HD3  LYS  60           2HD      LYS  60   5.310   5.325   8.816
  471    HE2  LYS  60           1HE      LYS  60   4.048   7.475   8.945
  472    HE3  LYS  60           2HE      LYS  60   4.084   7.363  10.705
  473    HZ1  LYS  60           3HZ      LYS  60   5.882   8.736   9.815
  474    HZ2  LYS  60           1HZ      LYS  60   6.476   7.404   8.952
  475    HZ3  LYS  60           2HZ      LYS  60   6.472   7.379  10.650
  476    H    TYR  61           H        TYR  61   4.250   1.369   8.382
  477    HA   TYR  61           HA       TYR  61   1.654   0.345   9.263
  478    HB2  TYR  61           1HB      TYR  61   1.778  -1.681   7.983
  479    HB3  TYR  61           2HB      TYR  61   1.885  -0.332   6.890
  480    HD1  TYR  61           HD2      TYR  61   3.934  -2.917   8.636
  481    HD2  TYR  61           HD1      TYR  61   3.802  -0.005   5.500
  482    HE1  TYR  61           HE2      TYR  61   6.071  -3.789   7.741
  483    HE2  TYR  61           HE1      TYR  61   5.949  -0.857   4.605
  484    HH   TYR  61           HH       TYR  61   7.221  -3.060   4.687
  485    H    LYS  62           H        LYS  62   1.827  -1.293  10.867
  486    HA   LYS  62           HA       LYS  62   4.561  -1.614  12.013
  487    HB2  LYS  62           1HB      LYS  62   1.825  -1.768  13.309
  488    HB3  LYS  62           2HB      LYS  62   3.357  -2.059  14.137
  489    HG2  LYS  62           1HG      LYS  62   4.087   0.240  13.593
  490    HG3  LYS  62           2HG      LYS  62   2.548   0.532  12.779
  491    HD2  LYS  62           1HD      LYS  62   1.349   0.093  14.911
  492    HD3  LYS  62           2HD      LYS  62   2.899  -0.157  15.718
  493    HE2  LYS  62           1HE      LYS  62   2.007   2.401  14.351
  494    HE3  LYS  62           2HE      LYS  62   2.085   2.137  16.094
  495    HZ1  LYS  62           3HZ      LYS  62   4.191   2.773  16.004
  496    HZ2  LYS  62           1HZ      LYS  62   4.161   2.856  14.311
  497    HZ3  LYS  62           2HZ      LYS  62   4.547   1.390  15.082
  498    H    HIS  63           H        HIS  63   5.413  -3.545  11.508
  499    HA   HIS  63           HA       HIS  63   3.672  -5.891  11.087
  500    HB2  HIS  63           1HB      HIS  63   5.549  -5.397   9.508
  501    HB3  HIS  63           2HB      HIS  63   6.698  -5.616  10.825
  502    HD1  HIS  63           HD1      HIS  63   7.417  -7.986  11.299
  503    HD2  HIS  63           HD2      HIS  63   3.961  -7.845   8.971
  504    HE1  HIS  63           HE1      HIS  63   6.891 -10.373  10.656
  505    HE2  HIS  63           HE2      HIS  63   4.788 -10.312   9.236
  506    H    GLY  64           H        GLY  64   3.105  -6.919  12.893
  507    HA2  GLY  64           1HA      GLY  64   3.208  -7.951  14.949
  508    HA3  GLY  64           2HA      GLY  64   4.946  -8.088  14.691
  509    H    ASN  65           H        ASN  65   6.211  -6.996  16.101
  510    HA   ASN  65           HA       ASN  65   5.046  -4.742  17.690
  511    HB2  ASN  65           1HB      ASN  65   6.651  -5.374  19.437
  512    HB3  ASN  65           2HB      ASN  65   5.593  -6.720  19.032
  513   HD21  ASN  65          2HD2      ASN  65   8.397  -6.738  20.170
  514   HD22  ASN  65          1HD2      ASN  65   9.294  -7.706  19.100
  515    H    LYS  66           H        LYS  66   7.087  -5.316  15.162
  516    HA   LYS  66           HA       LYS  66   8.967  -3.102  15.855
  517    HB2  LYS  66           1HB      LYS  66  10.349  -4.060  13.975
  518    HB3  LYS  66           2HB      LYS  66  10.214  -5.099  15.386
  519    HG2  LYS  66           1HG      LYS  66   8.375  -6.359  14.251
  520    HG3  LYS  66           2HG      LYS  66   8.627  -5.390  12.807
  521    HD2  LYS  66           1HD      LYS  66  10.750  -7.136  14.105
  522    HD3  LYS  66           2HD      LYS  66   9.779  -7.610  12.712
  523    HE2  LYS  66           1HE      LYS  66  11.849  -5.385  12.840
  524    HE3  LYS  66           2HE      LYS  66  11.866  -6.819  11.826
  525    HZ1  LYS  66           3HZ      LYS  66  11.048  -5.342  10.349
  526    HZ2  LYS  66           1HZ      LYS  66  10.328  -4.363  11.528
  527    HZ3  LYS  66           2HZ      LYS  66   9.575  -5.813  11.055
  528    H    ASN  67           H        ASN  67   8.630  -1.230  14.899
  529    HA   ASN  67           HA       ASN  67   6.726  -0.925  12.747
  530    HB2  ASN  67           1HB      ASN  67   7.111   1.470  13.036
  531    HB3  ASN  67           2HB      ASN  67   6.805   0.696  14.587
  532   HD21  ASN  67          2HD2      ASN  67   8.151   3.172  14.524
  533   HD22  ASN  67          1HD2      ASN  67   9.777   2.937  14.955
  534    H    GLU  68           H        GLU  68   7.162  -0.828  10.710
  535    HA   GLU  68           HA       GLU  68   9.932  -0.323   9.698
  536    HB2  GLU  68           1HB      GLU  68   7.879  -2.308   8.653
  537    HB3  GLU  68           2HB      GLU  68   9.433  -1.960   7.890
  538    HG2  GLU  68           1HG      GLU  68   9.125  -3.016  10.730
  539    HG3  GLU  68           2HG      GLU  68   9.472  -4.024   9.330
  540    H    GLU  69           H        GLU  69  10.112   0.810   7.777
  541    HA   GLU  69           HA       GLU  69   7.670   1.938   6.542
  542    HB2  GLU  69           1HB      GLU  69   8.327   3.585   8.211
  543    HB3  GLU  69           2HB      GLU  69  10.000   3.539   7.663
  544    HG2  GLU  69           1HG      GLU  69   9.418   4.553   5.535
  545    HG3  GLU  69           2HG      GLU  69   7.701   4.368   5.856
  546    H    ALA  70           H        ALA  70   7.855   2.080   4.412
  547    HA   ALA  70           HA       ALA  70  10.498   2.073   3.064
  548    HB1  ALA  70           3HB      ALA  70   9.921  -0.303   3.374
  549    HB2  ALA  70           1HB      ALA  70   9.879   0.144   1.667
  550    HB3  ALA  70           2HB      ALA  70   8.374  -0.029   2.573
  551    H    SER  71           H        SER  71  10.488   3.010   1.104
  552    HA   SER  71           HA       SER  71   8.067   4.496   0.301
  553    HB2  SER  71           1HB      SER  71   9.537   5.593  -1.312
  554    HB3  SER  71           2HB      SER  71  10.285   5.605   0.282
  555    HG   SER  71           HG       SER  71  10.768   3.607  -1.671
  556    H    ILE  72           H        ILE  72   6.795   3.974  -1.415
  557    HA   ILE  72           HA       ILE  72   7.624   1.728  -3.208
  558    HB   ILE  72           HB       ILE  72   4.846   2.192  -2.049
  559   HG12  ILE  72          1HG1      ILE  72   6.865   0.005  -1.378
  560   HG13  ILE  72          2HG1      ILE  72   6.558   1.398  -0.351
  561   HG21  ILE  72          1HG2      ILE  72   6.009  -0.072  -3.725
  562   HG22  ILE  72          2HG2      ILE  72   4.844   1.121  -4.289
  563   HG23  ILE  72          3HG2      ILE  72   4.379  -0.042  -3.060
  564   HD11  ILE  72          3HD1      ILE  72   4.180   0.751  -0.185
  565   HD12  ILE  72          1HD1      ILE  72   5.264  -0.489   0.449
  566   HD13  ILE  72          2HD1      ILE  72   4.523  -0.694  -1.136
  567    H    LYS  73           H        LYS  73   7.635   2.363  -5.267
  568    HA   LYS  73           HA       LYS  73   6.356   4.830  -6.071
  569    HB2  LYS  73           1HB      LYS  73   8.621   4.089  -6.856
  570    HB3  LYS  73           2HB      LYS  73   7.842   2.764  -7.715
  571    HG2  LYS  73           1HG      LYS  73   6.585   4.348  -9.105
  572    HG3  LYS  73           2HG      LYS  73   7.211   5.704  -8.176
  573    HD2  LYS  73           1HD      LYS  73   8.507   5.547 -10.232
  574    HD3  LYS  73           2HD      LYS  73   9.540   5.093  -8.885
  575    HE2  LYS  73           1HE      LYS  73   9.662   3.585 -10.971
  576    HE3  LYS  73           2HE      LYS  73   9.413   2.751  -9.447
  577    HZ1  LYS  73           3HZ      LYS  73   7.931   2.137 -11.405
  578    HZ2  LYS  73           1HZ      LYS  73   7.132   3.603 -11.120
  579    HZ3  LYS  73           2HZ      LYS  73   7.172   2.411  -9.909
  580    H    LEU  74           H        LEU  74   4.531   5.015  -7.303
  581    HA   LEU  74           HA       LEU  74   2.703   2.826  -7.330
  582    HB2  LEU  74           1HB      LEU  74   2.710   5.674  -8.311
  583    HB3  LEU  74           2HB      LEU  74   1.475   4.608  -8.934
  584    HG   LEU  74           HG       LEU  74   0.677   5.875  -6.971
  585   HD11  LEU  74          1HD1      LEU  74  -0.567   4.154  -6.114
  586   HD12  LEU  74          2HD1      LEU  74   0.814   3.099  -5.830
  587   HD13  LEU  74          3HD1      LEU  74   0.135   3.246  -7.447
  588   HD21  LEU  74          3HD2      LEU  74   1.673   5.590  -4.781
  589   HD22  LEU  74          1HD2      LEU  74   2.976   6.004  -5.884
  590   HD23  LEU  74          2HD2      LEU  74   2.761   4.334  -5.366
  591    H    THR  75           H        THR  75   1.955   1.597  -8.967
  592    HA   THR  75           HA       THR  75   3.143   1.794 -11.662
  593    HB   THR  75           HB       THR  75   3.766  -0.566 -11.648
  594    HG1  THR  75           HG1      THR  75   2.239  -0.550  -9.434
  595   HG21  THR  75          3HG2      THR  75   4.915   0.721  -9.149
  596   HG22  THR  75          1HG2      THR  75   5.384   1.219 -10.772
  597   HG23  THR  75          2HG2      THR  75   5.715  -0.426 -10.221
  598    H    ALA  76           H        ALA  76   2.138   0.088 -13.077
  599    HA   ALA  76           HA       ALA  76  -0.794   0.252 -12.815
  600    HB1  ALA  76           3HB      ALA  76   0.973  -0.772 -15.069
  601    HB2  ALA  76           1HB      ALA  76   0.270   0.842 -14.956
  602    HB3  ALA  76           2HB      ALA  76  -0.777  -0.567 -15.139
  603    H    ILE  77           H        ILE  77  -2.102  -1.520 -12.557
  604    HA   ILE  77           HA       ILE  77  -0.895  -4.229 -12.357
  605    HB   ILE  77           HB       ILE  77  -2.168  -4.683 -10.342
  606   HG12  ILE  77          1HG1      ILE  77  -4.128  -3.228 -10.656
  607   HG13  ILE  77          2HG1      ILE  77  -3.382  -2.934  -9.105
  608   HG21  ILE  77          1HG2      ILE  77  -0.963  -3.181  -8.787
  609   HG22  ILE  77          2HG2      ILE  77  -0.549  -2.131 -10.130
  610   HG23  ILE  77          3HG2      ILE  77   0.081  -3.778 -10.071
  611   HD11  ILE  77          3HD1      ILE  77  -3.555  -1.134 -11.481
  612   HD12  ILE  77          1HD1      ILE  77  -2.133  -0.975 -10.458
  613   HD13  ILE  77          2HD1      ILE  77  -3.739  -0.769  -9.780
  614    H    ASP  78           H        ASP  78  -3.868  -2.329 -12.713
  615    HA   ASP  78           HA       ASP  78  -5.292  -4.639 -13.885
  616    HB2  ASP  78           1HB      ASP  78  -6.279  -1.890 -13.055
  617    HB3  ASP  78           2HB      ASP  78  -7.286  -3.168 -13.725
  618    H    LYS  79           H        LYS  79  -6.453  -4.400 -15.814
  619    HA   LYS  79           HA       LYS  79  -5.045  -3.562 -18.033
  620    HB2  LYS  79           1HB      LYS  79  -7.226  -3.846 -19.232
  621    HB3  LYS  79           2HB      LYS  79  -6.866  -5.177 -18.133
  622    HG2  LYS  79           1HG      LYS  79  -8.316  -4.105 -16.394
  623    HG3  LYS  79           2HG      LYS  79  -8.727  -2.837 -17.549
  624    HD2  LYS  79           1HD      LYS  79  -9.701  -4.514 -19.065
  625    HD3  LYS  79           2HD      LYS  79  -9.257  -5.801 -17.946
  626    HE2  LYS  79           1HE      LYS  79 -11.627  -5.179 -17.666
  627    HE3  LYS  79           2HE      LYS  79 -10.706  -4.796 -16.213
  628    HZ1  LYS  79           3HZ      LYS  79 -11.114  -2.637 -16.462
  629    HZ2  LYS  79           1HZ      LYS  79 -12.285  -3.072 -17.606
  630    HZ3  LYS  79           2HZ      LYS  79 -10.718  -2.654 -18.114
  631    H    LYS  80           H        LYS  80  -7.160  -1.696 -15.990
  632    HA   LYS  80           HA       LYS  80  -7.484   0.506 -17.867
  633    HB2  LYS  80           1HB      LYS  80  -8.526   1.631 -15.771
  634    HB3  LYS  80           2HB      LYS  80  -9.356   0.224 -16.430
  635    HG2  LYS  80           1HG      LYS  80  -8.367  -1.231 -14.741
  636    HG3  LYS  80           2HG      LYS  80  -7.396   0.098 -14.115
  637    HD2  LYS  80           1HD      LYS  80  -9.442   1.308 -13.466
  638    HD3  LYS  80           2HD      LYS  80 -10.436   0.022 -14.150
  639    HE2  LYS  80           1HE      LYS  80 -10.261  -0.245 -11.713
  640    HE3  LYS  80           2HE      LYS  80  -9.451  -1.582 -12.530
  641    HZ1  LYS  80           3HZ      LYS  80  -7.566   0.405 -12.259
  642    HZ2  LYS  80           1HZ      LYS  80  -7.644  -1.049 -11.397
  643    HZ3  LYS  80           2HZ      LYS  80  -8.372   0.351 -10.766
  644    H    GLY  81           H        GLY  81  -4.780  -0.449 -16.588
  645    HA2  GLY  81           1HA      GLY  81  -2.830   0.542 -15.835
  646    HA3  GLY  81           2HA      GLY  81  -3.343   1.865 -16.868
  647    H    THR  82           H        THR  82  -4.923   0.731 -13.876
  648    HA   THR  82           HA       THR  82  -5.019   3.428 -12.891
  649    HB   THR  82           HB       THR  82  -5.870   0.857 -11.574
  650    HG1  THR  82           HG1      THR  82  -7.596   2.856 -12.447
  651   HG21  THR  82          3HG2      THR  82  -7.217   2.467 -10.133
  652   HG22  THR  82          1HG2      THR  82  -6.229   3.779 -10.777
  653   HG23  THR  82          2HG2      THR  82  -5.484   2.496  -9.819
  654    HA   PRO  83           HA       PRO  83  -0.948   2.962 -10.795
  655    HB2  PRO  83           1HB      PRO  83  -1.869   5.333  -9.184
  656    HB3  PRO  83           2HB      PRO  83  -0.393   5.138 -10.140
  657    HG2  PRO  83           1HG      PRO  83  -2.425   6.663 -10.962
  658    HG3  PRO  83           2HG      PRO  83  -1.392   5.794 -12.096
  659    HD2  PRO  83           1HD      PRO  83  -4.205   5.190 -11.250
  660    HD3  PRO  83           2HD      PRO  83  -3.382   4.899 -12.802
  661    H    GLY  84           H        GLY  84  -0.880   1.298  -9.330
  662    HA2  GLY  84           1HA      GLY  84  -1.611   1.603  -6.624
  663    HA3  GLY  84           2HA      GLY  84  -2.868   0.677  -7.442
  664    H    ILE  85           H        ILE  85  -1.815  -0.700  -5.559
  665    HA   ILE  85           HA       ILE  85   0.351  -2.403  -6.695
  666    HB   ILE  85           HB       ILE  85   0.356  -3.285  -4.238
  667   HG12  ILE  85          1HG1      ILE  85  -0.914  -0.558  -3.750
  668   HG13  ILE  85          2HG1      ILE  85  -1.797  -2.066  -3.631
  669   HG21  ILE  85          1HG2      ILE  85   1.311  -0.461  -4.836
  670   HG22  ILE  85          2HG2      ILE  85   2.193  -1.938  -5.214
  671   HG23  ILE  85          3HG2      ILE  85   1.917  -1.486  -3.536
  672   HD11  ILE  85          3HD1      ILE  85  -1.116  -1.529  -1.396
  673   HD12  ILE  85          1HD1      ILE  85   0.522  -1.140  -1.912
  674   HD13  ILE  85          2HD1      ILE  85  -0.026  -2.817  -1.907
  675    H    GLY  86           H        GLY  86   0.075  -4.774  -5.771
  676    HA2  GLY  86           1HA      GLY  86  -2.586  -5.742  -6.659
  677    HA3  GLY  86           2HA      GLY  86  -1.057  -6.601  -6.794
  678    H    ILE  87           H        ILE  87  -3.462  -5.459  -4.574
  679    HA   ILE  87           HA       ILE  87  -3.024  -7.753  -2.788
  680    HB   ILE  87           HB       ILE  87  -3.234  -5.989  -0.795
  681   HG12  ILE  87          1HG1      ILE  87  -2.127  -3.850  -1.258
  682   HG13  ILE  87          2HG1      ILE  87  -1.906  -4.295  -2.942
  683   HG21  ILE  87          1HG2      ILE  87  -0.776  -5.833  -0.628
  684   HG22  ILE  87          2HG2      ILE  87  -0.622  -6.345  -2.309
  685   HG23  ILE  87          3HG2      ILE  87  -1.285  -7.452  -1.108
  686   HD11  ILE  87          3HD1      ILE  87  -4.677  -4.150  -1.720
  687   HD12  ILE  87          1HD1      ILE  87  -4.210  -4.070  -3.422
  688   HD13  ILE  87          2HD1      ILE  87  -3.868  -2.718  -2.353
  689    H    THR  88           H        THR  88  -4.731  -7.830  -1.111
  690    HA   THR  88           HA       THR  88  -7.324  -6.649  -1.986
  691    HB   THR  88           HB       THR  88  -6.803  -9.552  -1.274
  692    HG1  THR  88           HG1      THR  88  -6.583  -8.315  -3.499
  693   HG21  THR  88          3HG2      THR  88  -9.300  -9.724  -1.910
  694   HG22  THR  88          1HG2      THR  88  -9.378  -7.977  -1.673
  695   HG23  THR  88          2HG2      THR  88  -8.943  -9.036  -0.323
  696    H    LEU  89           H        LEU  89  -8.459  -5.787  -0.398
  697    HA   LEU  89           HA       LEU  89  -7.629  -6.219   2.417
  698    HB2  LEU  89           1HB      LEU  89  -9.152  -3.847   1.271
  699    HB3  LEU  89           2HB      LEU  89  -8.350  -3.956   2.841
  700    HG   LEU  89           HG       LEU  89  -6.966  -3.971   0.129
  701   HD11  LEU  89          1HD1      LEU  89  -6.119  -1.760   0.814
  702   HD12  LEU  89          2HD1      LEU  89  -7.082  -1.849   2.285
  703   HD13  LEU  89          3HD1      LEU  89  -7.880  -1.778   0.717
  704   HD21  LEU  89          3HD2      LEU  89  -4.872  -3.678   1.595
  705   HD22  LEU  89          1HD2      LEU  89  -5.605  -5.276   1.603
  706   HD23  LEU  89          2HD2      LEU  89  -5.870  -4.183   2.961
  707    H    VAL  90           H        VAL  90  -9.177  -6.544   3.963
  708    HA   VAL  90           HA       VAL  90 -11.887  -7.369   3.010
  709    HB   VAL  90           HB       VAL  90 -11.903  -8.841   5.025
  710   HG11  VAL  90          1HG1      VAL  90 -11.191  -9.701   2.798
  711   HG12  VAL  90          2HG1      VAL  90 -10.370 -10.518   4.119
  712   HG13  VAL  90          3HG1      VAL  90  -9.519  -9.283   3.187
  713   HG21  VAL  90          3HG2      VAL  90  -8.985  -7.988   5.257
  714   HG22  VAL  90          1HG2      VAL  90  -9.758  -9.257   6.206
  715   HG23  VAL  90          2HG2      VAL  90 -10.261  -7.581   6.404
  716    H    ASP  91           H        ASP  91 -13.521  -7.294   4.794
  717    HA   ASP  91           HA       ASP  91 -14.862  -6.059   6.147
  718    HB2  ASP  91           1HB      ASP  91 -12.931  -6.409   7.742
  719    HB3  ASP  91           2HB      ASP  91 -12.305  -4.838   7.258
  720    H    ASP  92           H        ASP  92 -14.175  -5.086   3.527
  721    HA   ASP  92           HA       ASP  92 -15.098  -2.330   3.823
  722    HB2  ASP  92           1HB      ASP  92 -13.271  -1.353   2.488
  723    HB3  ASP  92           2HB      ASP  92 -12.663  -2.042   3.990
  724    H    LEU  93           H        LEU  93 -15.467  -5.151   2.453
  725    HA   LEU  93           HA       LEU  93 -15.880  -4.339  -0.348
  726    HB2  LEU  93           1HB      LEU  93 -16.451  -6.704  -0.690
  727    HB3  LEU  93           2HB      LEU  93 -14.889  -6.520   0.105
  728    HG   LEU  93           HG       LEU  93 -16.652  -6.668   2.313
  729   HD11  LEU  93          1HD1      LEU  93 -18.512  -7.311   0.786
  730   HD12  LEU  93          2HD1      LEU  93 -18.105  -8.586   1.936
  731   HD13  LEU  93          3HD1      LEU  93 -17.575  -8.711   0.259
  732   HD21  LEU  93          3HD2      LEU  93 -15.747  -8.960   2.621
  733   HD22  LEU  93          1HD2      LEU  93 -14.489  -7.814   2.157
  734   HD23  LEU  93          2HD2      LEU  93 -15.141  -8.937   0.965
  735    H    GLU  94           H        GLU  94 -17.694  -4.904   2.597
  736    HA   GLU  94           HA       GLU  94 -20.258  -5.262   1.470
  737    HB2  GLU  94           1HB      GLU  94 -19.637  -5.729   3.867
  738    HB3  GLU  94           2HB      GLU  94 -19.581  -3.992   4.156
  739    HG2  GLU  94           1HG      GLU  94 -21.959  -3.803   3.492
  740    HG3  GLU  94           2HG      GLU  94 -22.007  -5.531   3.177
  741    H    HIS  95           H        HIS  95 -20.065  -3.639  -0.290
  742    HA   HIS  95           HA       HIS  95 -20.725  -0.860   0.597
  743    HB2  HIS  95           1HB      HIS  95 -18.619  -1.088  -0.728
  744    HB3  HIS  95           2HB      HIS  95 -19.555  -1.758  -2.062
  745    HD1  HIS  95           HD1      HIS  95 -20.931  -0.128  -3.479
  746    HD2  HIS  95           HD2      HIS  95 -19.190   1.701  -0.161
  747    HE1  HIS  95           HE1      HIS  95 -21.300   2.359  -3.758
  748    HE2  HIS  95           HE2      HIS  95 -20.245   3.493  -1.746
  749    H    HIS  96           H        HIS  96 -22.149  -3.640  -0.471
  750    HA   HIS  96           HA       HIS  96 -24.543  -2.231  -1.348
  751    HB2  HIS  96           1HB      HIS  96 -24.682  -3.349  -3.530
  752    HB3  HIS  96           2HB      HIS  96 -23.233  -2.355  -3.442
  753    HD1  HIS  96           HD1      HIS  96 -20.984  -3.769  -2.685
  754    HD2  HIS  96           HD2      HIS  96 -24.156  -5.968  -4.259
  755    HE1  HIS  96           HE1      HIS  96 -20.024  -5.999  -3.391
  756    HE2  HIS  96           HE2      HIS  96 -21.942  -7.355  -4.355
  757    H    HIS  97           H        HIS  97 -25.842  -4.393  -2.521
  758    HA   HIS  97           HA       HIS  97 -27.169  -6.157  -1.925
  759    HB2  HIS  97           1HB      HIS  97 -25.019  -7.348  -2.284
  760    HB3  HIS  97           2HB      HIS  97 -24.621  -7.127  -0.586
  761    HD1  HIS  97           HD1      HIS  97 -27.198  -8.834  -2.787
  762    HD2  HIS  97           HD2      HIS  97 -25.780  -9.011   1.130
  763    HE1  HIS  97           HE1      HIS  97 -28.287 -10.854  -1.725
  764    HE2  HIS  97           HE2      HIS  97 -27.434 -10.981   0.662
  765    H    HIS  98           H        HIS  98 -28.459  -4.791  -0.544
  766    HA   HIS  98           HA       HIS  98 -27.937  -4.484   2.248
  767    HB2  HIS  98           1HB      HIS  98 -30.286  -3.725   2.361
  768    HB3  HIS  98           2HB      HIS  98 -29.425  -2.956   1.030
  769    HD1  HIS  98           HD1      HIS  98 -30.127  -3.581  -1.374
  770    HD2  HIS  98           HD2      HIS  98 -32.272  -5.635   1.550
  771    HE1  HIS  98           HE1      HIS  98 -32.060  -4.700  -2.561
  772    HE2  HIS  98           HE2      HIS  98 -33.380  -5.956  -0.795
  773    H    HIS  99           H        HIS  99 -28.999  -5.498   3.994
  774    HA   HIS  99           HA       HIS  99 -29.680  -7.299   5.224
  775    HB2  HIS  99           1HB      HIS  99 -31.810  -6.795   4.038
  776    HB3  HIS  99           2HB      HIS  99 -31.356  -7.920   2.766
  777    HD1  HIS  99           HD1      HIS  99 -32.047  -7.888   6.506
  778    HD2  HIS  99           HD2      HIS  99 -31.964 -10.582   3.320
  779    HE1  HIS  99           HE1      HIS  99 -32.925 -10.085   7.396
  780    HE2  HIS  99           HE2      HIS  99 -32.886 -11.744   5.477
  781    H    HIS 100           H        HIS 100 -29.696  -9.644   5.401
  782    HA   HIS 100           HA       HIS 100 -28.684 -11.415   3.458
  783    HB2  HIS 100           1HB      HIS 100 -26.414 -11.827   4.428
  784    HB3  HIS 100           2HB      HIS 100 -26.553 -10.238   3.689
  785    HD1  HIS 100           HD1      HIS 100 -26.555  -8.177   5.249
  786    HD2  HIS 100           HD2      HIS 100 -26.162 -11.800   7.275
  787    HE1  HIS 100           HE1      HIS 100 -25.856  -7.602   7.610
  788    HE2  HIS 100           HE2      HIS 100 -25.612  -9.796   8.863
  Start of MODEL    6
    1    H1   MET   1           1H       MET   1  -0.978  -9.858  15.375
    2    H2   MET   1           2H       MET   1  -1.435 -10.033  17.003
    3    H3   MET   1           3H       MET   1  -0.308  -8.843  16.557
    4    HA   MET   1           HA       MET   1  -1.871  -7.377  16.036
    5    HB2  MET   1           1HB      MET   1  -3.844  -8.044  14.605
    6    HB3  MET   1           2HB      MET   1  -2.286  -8.473  13.900
    7    HG2  MET   1           1HG      MET   1  -2.533 -10.786  14.745
    8    HG3  MET   1           2HG      MET   1  -4.096 -10.365  15.445
    9    HE1  MET   1           3HE      MET   1  -4.983 -12.663  12.473
   10    HE2  MET   1           1HE      MET   1  -5.419 -12.234  14.133
   11    HE3  MET   1           2HE      MET   1  -3.772 -12.727  13.751
   12    H    VAL   2           H        VAL   2  -2.751 -10.402  17.527
   13    HA   VAL   2           HA       VAL   2  -5.258  -9.665  18.618
   14    HB   VAL   2           HB       VAL   2  -4.447 -11.994  18.524
   15   HG11  VAL   2          1HG1      VAL   2  -2.746 -12.826  20.061
   16   HG12  VAL   2          2HG1      VAL   2  -2.568 -11.237  20.800
   17   HG13  VAL   2          3HG1      VAL   2  -2.057 -11.497  19.131
   18   HG21  VAL   2          3HG2      VAL   2  -5.261 -12.701  20.726
   19   HG22  VAL   2          1HG2      VAL   2  -6.220 -11.332  20.165
   20   HG23  VAL   2          2HG2      VAL   2  -4.974 -11.097  21.390
   21    H    LYS   3           H        LYS   3  -1.955  -9.077  19.646
   22    HA   LYS   3           HA       LYS   3  -2.486  -8.290  22.309
   23    HB2  LYS   3           1HB      LYS   3  -0.254  -7.471  20.430
   24    HB3  LYS   3           2HB      LYS   3  -0.264  -7.153  22.166
   25    HG2  LYS   3           1HG      LYS   3  -0.392  -9.577  22.619
   26    HG3  LYS   3           2HG      LYS   3  -0.384  -9.905  20.885
   27    HD2  LYS   3           1HD      LYS   3   1.836  -8.841  20.685
   28    HD3  LYS   3           2HD      LYS   3   1.833  -8.499  22.415
   29    HE2  LYS   3           1HE      LYS   3   1.721 -10.915  22.900
   30    HE3  LYS   3           2HE      LYS   3   1.716 -11.265  21.170
   31    HZ1  LYS   3           3HZ      LYS   3   3.934 -11.434  22.192
   32    HZ2  LYS   3           1HZ      LYS   3   3.867  -9.785  22.582
   33    HZ3  LYS   3           2HZ      LYS   3   3.869 -10.272  20.954
   34    H    VAL   4           H        VAL   4  -3.357  -6.829  19.422
   35    HA   VAL   4           HA       VAL   4  -4.000  -4.266  20.794
   36    HB   VAL   4           HB       VAL   4  -3.393  -3.039  18.720
   37   HG11  VAL   4          1HG1      VAL   4  -0.950  -3.174  19.016
   38   HG12  VAL   4          2HG1      VAL   4  -1.123  -4.714  19.856
   39   HG13  VAL   4          3HG1      VAL   4  -1.764  -3.239  20.579
   40   HG21  VAL   4          3HG2      VAL   4  -2.261  -5.728  17.843
   41   HG22  VAL   4          1HG2      VAL   4  -2.017  -4.200  16.998
   42   HG23  VAL   4          2HG2      VAL   4  -3.627  -4.900  17.096
   43    H    THR   5           H        THR   5  -5.724  -3.108  19.848
   44    HA   THR   5           HA       THR   5  -7.868  -4.834  18.896
   45    HB   THR   5           HB       THR   5  -8.457  -3.213  20.571
   46    HG1  THR   5           HG1      THR   5  -9.804  -1.776  19.024
   47   HG21  THR   5          3HG2      THR   5  -7.324  -1.134  18.671
   48   HG22  THR   5          1HG2      THR   5  -6.660  -1.587  20.240
   49   HG23  THR   5          2HG2      THR   5  -8.218  -0.773  20.143
   50    H    TYR   6           H        TYR   6  -9.368  -3.634  17.223
   51    HA   TYR   6           HA       TYR   6  -7.973  -3.731  14.731
   52    HB2  TYR   6           1HB      TYR   6 -10.363  -4.357  15.001
   53    HB3  TYR   6           2HB      TYR   6 -10.763  -2.670  15.313
   54    HD1  TYR   6           HD1      TYR   6 -10.609  -0.974  13.505
   55    HD2  TYR   6           HD2      TYR   6  -9.719  -5.103  12.735
   56    HE1  TYR   6           HE1      TYR   6 -10.717  -0.542  11.067
   57    HE2  TYR   6           HE2      TYR   6  -9.825  -4.672  10.296
   58    HH   TYR   6           HH       TYR   6 -10.183  -1.399   9.026
   59    H    ASP   7           H        ASP   7  -6.808  -2.184  13.822
   60    HA   ASP   7           HA       ASP   7  -7.595   0.561  13.654
   61    HB2  ASP   7           1HB      ASP   7  -5.678   1.514  14.926
   62    HB3  ASP   7           2HB      ASP   7  -6.793   0.634  15.968
   63    H    GLY   8           H        GLY   8  -7.293  -0.211  11.456
   64    HA2  GLY   8           1HA      GLY   8  -5.249   0.759  10.022
   65    HA3  GLY   8           2HA      GLY   8  -4.569  -0.786  10.531
   66    H    VAL   9           H        VAL   9  -4.639  -0.852   8.040
   67    HA   VAL   9           HA       VAL   9  -7.243  -1.997   7.106
   68    HB   VAL   9           HB       VAL   9  -4.962  -0.890   5.416
   69   HG11  VAL   9          1HG1      VAL   9  -6.691  -0.976   3.619
   70   HG12  VAL   9          2HG1      VAL   9  -7.807  -1.744   4.743
   71   HG13  VAL   9          3HG1      VAL   9  -6.330  -2.570   4.265
   72   HG21  VAL   9          3HG2      VAL   9  -6.039   0.899   6.739
   73   HG22  VAL   9          1HG2      VAL   9  -7.627   0.356   6.195
   74   HG23  VAL   9          2HG2      VAL   9  -6.483   1.039   5.039
   75    H    TYR  10           H        TYR  10  -7.289  -4.099   6.742
   76    HA   TYR  10           HA       TYR  10  -4.889  -5.754   7.011
   77    HB2  TYR  10           1HB      TYR  10  -7.866  -6.278   6.768
   78    HB3  TYR  10           2HB      TYR  10  -6.712  -7.603   6.688
   79    HD1  TYR  10           HD2      TYR  10  -7.451  -4.570   8.822
   80    HD2  TYR  10           HD1      TYR  10  -6.217  -8.688   8.744
   81    HE1  TYR  10           HE2      TYR  10  -7.357  -4.589  11.290
   82    HE2  TYR  10           HE1      TYR  10  -6.147  -8.710  11.213
   83    HH   TYR  10           HH       TYR  10  -7.009  -5.802  13.101
   84    H    VAL  11           H        VAL  11  -4.038  -7.011   5.451
   85    HA   VAL  11           HA       VAL  11  -4.904  -6.523   2.643
   86    HB   VAL  11           HB       VAL  11  -2.192  -7.472   3.637
   87   HG11  VAL  11          1HG1      VAL  11  -1.515  -6.899   1.291
   88   HG12  VAL  11          2HG1      VAL  11  -3.198  -6.549   0.909
   89   HG13  VAL  11          3HG1      VAL  11  -2.709  -8.189   1.329
   90   HG21  VAL  11          3HG2      VAL  11  -2.648  -5.166   4.369
   91   HG22  VAL  11          1HG2      VAL  11  -3.120  -4.730   2.730
   92   HG23  VAL  11          2HG2      VAL  11  -1.455  -5.170   3.073
   93    H    LEU  12           H        LEU  12  -5.565  -8.174   1.449
   94    HA   LEU  12           HA       LEU  12  -5.920 -10.737   2.711
   95    HB2  LEU  12           1HB      LEU  12  -7.511  -9.355   1.035
   96    HB3  LEU  12           2HB      LEU  12  -6.666 -10.306  -0.172
   97    HG   LEU  12           HG       LEU  12  -8.701 -11.482   0.506
   98   HD11  LEU  12          1HD1      LEU  12  -6.465 -13.013   1.859
   99   HD12  LEU  12          2HD1      LEU  12  -6.454 -12.753   0.112
  100   HD13  LEU  12          3HD1      LEU  12  -7.781 -13.628   0.869
  101   HD21  LEU  12          3HD2      LEU  12  -9.445 -11.788   2.683
  102   HD22  LEU  12          1HD2      LEU  12  -8.440 -10.381   3.024
  103   HD23  LEU  12          2HD2      LEU  12  -7.838 -12.000   3.350
  104    H    SER  13           H        SER  13  -4.150  -9.501  -0.049
  105    HA   SER  13           HA       SER  13  -2.143 -11.569   0.193
  106    HB2  SER  13           1HB      SER  13  -2.560 -12.704  -1.930
  107    HB3  SER  13           2HB      SER  13  -3.980 -12.847  -0.897
  108    HG   SER  13           HG       SER  13  -4.673 -10.843  -2.060
  109    H    VAL  14           H        VAL  14  -0.513 -11.433  -1.408
  110    HA   VAL  14           HA       VAL  14  -0.270  -8.750  -2.687
  111    HB   VAL  14           HB       VAL  14   1.970 -10.463  -1.522
  112   HG11  VAL  14          1HG1      VAL  14   2.706  -9.000  -3.367
  113   HG12  VAL  14          2HG1      VAL  14   3.304  -8.369  -1.838
  114   HG13  VAL  14          3HG1      VAL  14   1.909  -7.620  -2.612
  115   HG21  VAL  14          3HG2      VAL  14   0.502  -9.590   0.263
  116   HG22  VAL  14          1HG2      VAL  14   0.659  -7.968  -0.401
  117   HG23  VAL  14          2HG2      VAL  14   2.063  -8.776   0.277
  118    H    LYS  15           H        LYS  15   0.345  -8.730  -4.744
  119    HA   LYS  15           HA       LYS  15   0.065 -10.933  -6.452
  120    HB2  LYS  15           1HB      LYS  15   1.692  -8.440  -6.888
  121    HB3  LYS  15           2HB      LYS  15   1.156  -9.516  -8.156
  122    HG2  LYS  15           1HG      LYS  15  -0.909  -8.295  -6.274
  123    HG3  LYS  15           2HG      LYS  15  -0.267  -7.317  -7.583
  124    HD2  LYS  15           1HD      LYS  15  -1.261 -10.108  -8.281
  125    HD3  LYS  15           2HD      LYS  15  -2.458  -8.860  -7.962
  126    HE2  LYS  15           1HE      LYS  15  -0.188  -8.539  -9.956
  127    HE3  LYS  15           2HE      LYS  15  -1.828  -9.034 -10.389
  128    HZ1  LYS  15           3HZ      LYS  15  -1.769  -6.721 -10.652
  129    HZ2  LYS  15           1HZ      LYS  15  -0.948  -6.478  -9.188
  130    HZ3  LYS  15           2HZ      LYS  15  -2.572  -6.974  -9.177
  131    H    GLU  16           H        GLU  16   3.024  -9.763  -7.420
  132    HA   GLU  16           HA       GLU  16   4.732 -11.489  -5.848
  133    HB2  GLU  16           1HB      GLU  16   3.552 -13.119  -7.343
  134    HB3  GLU  16           2HB      GLU  16   4.207 -12.269  -8.740
  135    HG2  GLU  16           1HG      GLU  16   6.505 -12.754  -7.988
  136    HG3  GLU  16           2HG      GLU  16   5.884 -13.534  -6.538
  137    H    ASP  17           H        ASP  17   4.790 -10.453  -9.245
  138    HA   ASP  17           HA       ASP  17   7.475  -9.331  -8.868
  139    HB2  ASP  17           1HB      ASP  17   7.475  -9.108 -11.314
  140    HB3  ASP  17           2HB      ASP  17   7.041 -10.743 -10.828
  141    H    VAL  18           H        VAL  18   5.817  -7.864  -7.383
  142    HA   VAL  18           HA       VAL  18   5.475  -5.337  -8.909
  143    HB   VAL  18           HB       VAL  18   3.576  -4.824  -7.366
  144   HG11  VAL  18          1HG1      VAL  18   3.156  -5.862  -9.566
  145   HG12  VAL  18          2HG1      VAL  18   1.967  -6.371  -8.368
  146   HG13  VAL  18          3HG1      VAL  18   3.279  -7.458  -8.823
  147   HG21  VAL  18          3HG2      VAL  18   3.943  -7.672  -6.403
  148   HG22  VAL  18          1HG2      VAL  18   2.658  -6.560  -5.924
  149   HG23  VAL  18          2HG2      VAL  18   4.312  -6.234  -5.460
  150    HA   PRO  19           HA       PRO  19   8.215  -3.458  -5.975
  151    HB2  PRO  19           1HB      PRO  19   6.938  -1.026  -5.426
  152    HB3  PRO  19           2HB      PRO  19   7.900  -1.340  -6.879
  153    HG2  PRO  19           1HG      PRO  19   4.913  -1.508  -6.515
  154    HG3  PRO  19           2HG      PRO  19   5.848  -0.783  -7.839
  155    HD2  PRO  19           1HD      PRO  19   4.764  -3.187  -8.156
  156    HD3  PRO  19           2HD      PRO  19   6.389  -2.891  -8.784
  157    H    ALA  20           H        ALA  20   4.995  -4.242  -5.143
  158    HA   ALA  20           HA       ALA  20   5.162  -3.504  -2.325
  159    HB1  ALA  20           3HB      ALA  20   3.102  -5.393  -3.513
  160    HB2  ALA  20           1HB      ALA  20   3.066  -3.678  -3.884
  161    HB3  ALA  20           2HB      ALA  20   2.908  -4.218  -2.211
  162    H    ALA  21           H        ALA  21   5.821  -6.282  -4.324
  163    HA   ALA  21           HA       ALA  21   5.815  -8.265  -2.278
  164    HB1  ALA  21           3HB      ALA  21   6.925  -9.653  -3.985
  165    HB2  ALA  21           1HB      ALA  21   7.168  -8.230  -4.998
  166    HB3  ALA  21           2HB      ALA  21   5.536  -8.812  -4.674
  167    H    GLY  22           H        GLY  22   7.366  -8.736  -0.865
  168    HA2  GLY  22           1HA      GLY  22   9.601  -9.112  -0.144
  169    HA3  GLY  22           2HA      GLY  22  10.178  -7.901  -1.283
  170    H    ILE  23           H        ILE  23   7.672  -6.301  -0.208
  171    HA   ILE  23           HA       ILE  23   9.054  -5.162   2.188
  172    HB   ILE  23           HB       ILE  23   7.263  -3.766   0.169
  173   HG12  ILE  23          1HG1      ILE  23  10.287  -3.561   0.564
  174   HG13  ILE  23          2HG1      ILE  23   9.524  -4.458  -0.744
  175   HG21  ILE  23          1HG2      ILE  23   7.204  -2.776   2.476
  176   HG22  ILE  23          2HG2      ILE  23   7.977  -1.715   1.325
  177   HG23  ILE  23          3HG2      ILE  23   8.961  -2.652   2.443
  178   HD11  ILE  23          3HD1      ILE  23   8.390  -2.313  -1.443
  179   HD12  ILE  23          1HD1      ILE  23  10.140  -2.310  -1.624
  180   HD13  ILE  23          2HD1      ILE  23   9.391  -1.475  -0.263
  181    H    LEU  24           H        LEU  24   5.823  -5.528   0.688
  182    HA   LEU  24           HA       LEU  24   4.562  -5.445   3.376
  183    HB2  LEU  24           1HB      LEU  24   3.473  -5.166   0.569
  184    HB3  LEU  24           2HB      LEU  24   2.440  -5.208   1.994
  185    HG   LEU  24           HG       LEU  24   4.708  -3.157   1.926
  186   HD11  LEU  24          1HD1      LEU  24   3.278  -1.547   0.808
  187   HD12  LEU  24          2HD1      LEU  24   2.025  -2.755   0.579
  188   HD13  LEU  24          3HD1      LEU  24   3.575  -2.907  -0.247
  189   HD21  LEU  24          3HD2      LEU  24   3.288  -3.538   3.990
  190   HD22  LEU  24          1HD2      LEU  24   1.881  -3.027   3.063
  191   HD23  LEU  24          2HD2      LEU  24   3.203  -1.900   3.364
  192    H    HIS  25           H        HIS  25   3.143  -7.043   4.036
  193    HA   HIS  25           HA       HIS  25   2.972  -9.530   2.443
  194    HB2  HIS  25           1HB      HIS  25   3.588 -10.842   4.468
  195    HB3  HIS  25           2HB      HIS  25   4.914  -9.834   3.894
  196    HD1  HIS  25           HD1      HIS  25   5.189  -7.460   5.211
  197    HD2  HIS  25           HD2      HIS  25   2.884 -10.371   7.106
  198    HE1  HIS  25           HE1      HIS  25   5.024  -6.776   7.637
  199    HE2  HIS  25           HE2      HIS  25   3.623  -8.534   8.810
  200    H    ALA  26           H        ALA  26   1.299 -10.906   3.060
  201    HA   ALA  26           HA       ALA  26  -1.135  -9.678   3.639
  202    HB1  ALA  26           3HB      ALA  26  -0.380 -12.597   3.966
  203    HB2  ALA  26           1HB      ALA  26  -0.940 -11.840   2.474
  204    HB3  ALA  26           2HB      ALA  26  -2.025 -11.966   3.858
  205    H    GLY  27           H        GLY  27  -2.224  -9.234   5.491
  206    HA2  GLY  27           1HA      GLY  27  -2.879  -9.559   7.746
  207    HA3  GLY  27           2HA      GLY  27  -1.367 -10.398   8.075
  208    H    ASP  28           H        ASP  28  -0.449  -7.778   6.271
  209    HA   ASP  28           HA       ASP  28   0.555  -6.354   8.586
  210    HB2  ASP  28           1HB      ASP  28   1.874  -6.618   6.507
  211    HB3  ASP  28           2HB      ASP  28   0.693  -5.639   5.643
  212    H    LEU  29           H        LEU  29  -0.341  -4.616   9.557
  213    HA   LEU  29           HA       LEU  29  -2.812  -3.444   8.422
  214    HB2  LEU  29           1HB      LEU  29  -1.714  -2.933  11.205
  215    HB3  LEU  29           2HB      LEU  29  -3.380  -2.797  10.635
  216    HG   LEU  29           HG       LEU  29  -1.827  -5.363  10.983
  217   HD11  LEU  29          1HD1      LEU  29  -3.471  -5.813  12.762
  218   HD12  LEU  29          2HD1      LEU  29  -4.199  -4.233  12.478
  219   HD13  LEU  29          3HD1      LEU  29  -2.550  -4.346  13.093
  220   HD21  LEU  29          3HD2      LEU  29  -4.113  -6.418  10.492
  221   HD22  LEU  29          1HD2      LEU  29  -3.296  -5.710   9.107
  222   HD23  LEU  29          2HD2      LEU  29  -4.606  -4.835   9.893
  223    H    ILE  30           H        ILE  30  -2.614  -1.566   7.335
  224    HA   ILE  30           HA       ILE  30  -0.237   0.115   7.707
  225    HB   ILE  30           HB       ILE  30  -2.519   0.356   5.724
  226   HG12  ILE  30          1HG1      ILE  30   0.299  -0.761   5.328
  227   HG13  ILE  30          2HG1      ILE  30  -1.126  -1.769   5.519
  228   HG21  ILE  30          1HG2      ILE  30   0.235   1.663   5.851
  229   HG22  ILE  30          2HG2      ILE  30  -1.289   2.499   6.132
  230   HG23  ILE  30          3HG2      ILE  30  -0.913   1.862   4.549
  231   HD11  ILE  30          3HD1      ILE  30  -0.499  -1.435   3.149
  232   HD12  ILE  30          1HD1      ILE  30  -0.791   0.290   3.332
  233   HD13  ILE  30          2HD1      ILE  30  -2.118  -0.843   3.517
  234    H    THR  31           H        THR  31  -0.281   2.092   8.629
  235    HA   THR  31           HA       THR  31  -2.797   2.961   9.952
  236    HB   THR  31           HB       THR  31  -1.368   4.223  11.449
  237    HG1  THR  31           HG1      THR  31   0.254   4.352   9.512
  238   HG21  THR  31          3HG2      THR  31  -1.674   1.825  11.942
  239   HG22  THR  31          1HG2      THR  31  -0.083   2.387  12.449
  240   HG23  THR  31          2HG2      THR  31  -0.248   1.442  10.975
  241    H    GLU  32           H        GLU  32  -0.074   4.224   7.992
  242    HA   GLU  32           HA       GLU  32  -1.845   6.253   6.850
  243    HB2  GLU  32           1HB      GLU  32  -1.037   7.264   8.954
  244    HB3  GLU  32           2HB      GLU  32   0.615   7.007   8.432
  245    HG2  GLU  32           1HG      GLU  32   0.396   8.557   6.604
  246    HG3  GLU  32           2HG      GLU  32  -1.350   8.666   6.822
  247    H    ILE  33           H        ILE  33  -0.812   7.477   5.123
  248    HA   ILE  33           HA       ILE  33   1.670   6.409   4.014
  249    HB   ILE  33           HB       ILE  33  -0.017   4.853   3.166
  250   HG12  ILE  33          1HG1      ILE  33   0.813   6.762   0.932
  251   HG13  ILE  33          2HG1      ILE  33   1.917   5.623   1.687
  252   HG21  ILE  33          1HG2      ILE  33  -1.964   6.408   3.332
  253   HG22  ILE  33          2HG2      ILE  33  -1.872   5.617   1.763
  254   HG23  ILE  33          3HG2      ILE  33  -1.353   7.291   1.931
  255   HD11  ILE  33          3HD1      ILE  33   0.430   3.752   1.027
  256   HD12  ILE  33          1HD1      ILE  33   1.007   4.663  -0.367
  257   HD13  ILE  33          2HD1      ILE  33  -0.636   4.904   0.222
  258    H    ASP  34           H        ASP  34   2.717   7.838   2.679
  259    HA   ASP  34           HA       ASP  34   3.356   9.889   1.965
  260    HB2  ASP  34           1HB      ASP  34   1.809   9.167   0.166
  261    HB3  ASP  34           2HB      ASP  34   0.484   9.972   0.993
  262    H    GLY  35           H        GLY  35   1.950   9.679   4.682
  263    HA2  GLY  35           1HA      GLY  35   1.703  11.193   6.418
  264    HA3  GLY  35           2HA      GLY  35   2.028  12.503   5.293
  265    H    GLN  36           H        GLN  36  -0.469  10.272   4.445
  266    HA   GLN  36           HA       GLN  36  -2.636  11.884   5.603
  267    HB2  GLN  36           1HB      GLN  36  -3.699  12.209   3.361
  268    HB3  GLN  36           2HB      GLN  36  -2.198  13.110   3.559
  269    HG2  GLN  36           1HG      GLN  36  -0.964  11.349   2.348
  270    HG3  GLN  36           2HG      GLN  36  -2.452  10.429   2.142
  271   HE21  GLN  36          2HE2      GLN  36  -4.321  12.024   1.181
  272   HE22  GLN  36          1HE2      GLN  36  -3.814  12.919  -0.169
  273    H    SER  37           H        SER  37  -4.768  10.978   4.974
  274    HA   SER  37           HA       SER  37  -6.246   9.262   4.677
  275    HB2  SER  37           1HB      SER  37  -4.085   7.193   4.223
  276    HB3  SER  37           2HB      SER  37  -5.687   7.304   3.520
  277    HG   SER  37           HG       SER  37  -4.989   8.911   2.196
  278    H    PHE  38           H        PHE  38  -7.148   8.807   6.575
  279    HA   PHE  38           HA       PHE  38  -5.518   7.885   8.832
  280    HB2  PHE  38           1HB      PHE  38  -8.511   8.192   9.045
  281    HB3  PHE  38           2HB      PHE  38  -7.257   8.642  10.196
  282    HD1  PHE  38           HD1      PHE  38  -5.415  10.322   8.684
  283    HD2  PHE  38           HD2      PHE  38  -9.706  10.183   8.475
  284    HE1  PHE  38           HE1      PHE  38  -5.448  12.656   7.850
  285    HE2  PHE  38           HE2      PHE  38  -9.740  12.514   7.653
  286    HZ   PHE  38           HZ       PHE  38  -7.616  13.757   7.344
  287    H    LYS  39           H        LYS  39  -7.739   6.462  10.065
  288    HA   LYS  39           HA       LYS  39  -7.015   3.864   9.346
  289    HB2  LYS  39           1HB      LYS  39  -8.083   4.664  11.505
  290    HB3  LYS  39           2HB      LYS  39  -9.641   4.597  10.685
  291    HG2  LYS  39           1HG      LYS  39  -9.123   2.157  10.101
  292    HG3  LYS  39           2HG      LYS  39  -7.705   2.281  11.139
  293    HD2  LYS  39           1HD      LYS  39 -10.585   2.703  12.001
  294    HD3  LYS  39           2HD      LYS  39  -9.606   1.280  12.342
  295    HE2  LYS  39           1HE      LYS  39  -7.935   2.968  13.482
  296    HE3  LYS  39           2HE      LYS  39  -9.314   4.070  13.489
  297    HZ1  LYS  39           3HZ      LYS  39  -9.526   2.984  15.471
  298    HZ2  LYS  39           1HZ      LYS  39  -8.992   1.496  14.858
  299    HZ3  LYS  39           2HZ      LYS  39 -10.547   2.063  14.473
  300    H    SER  40           H        SER  40 -10.188   5.441   8.791
  301    HA   SER  40           HA       SER  40 -11.710   3.769   7.453
  302    HB2  SER  40           1HB      SER  40 -12.286   6.123   7.486
  303    HB3  SER  40           2HB      SER  40 -10.962   6.491   6.392
  304    HG   SER  40           HG       SER  40 -11.995   5.377   4.784
  305    H    SER  41           H        SER  41 -11.345   2.164   6.028
  306    HA   SER  41           HA       SER  41  -9.007   1.936   4.480
  307    HB2  SER  41           1HB      SER  41 -10.203   0.067   3.380
  308    HB3  SER  41           2HB      SER  41 -10.376   0.005   5.131
  309    HG   SER  41           HG       SER  41 -12.437   0.275   4.894
  310    H    GLN  42           H        GLN  42 -12.348   2.824   3.585
  311    HA   GLN  42           HA       GLN  42 -12.018   3.166   0.886
  312    HB2  GLN  42           1HB      GLN  42 -14.167   3.369   2.184
  313    HB3  GLN  42           2HB      GLN  42 -13.653   4.966   2.716
  314    HG2  GLN  42           1HG      GLN  42 -15.131   5.259   0.808
  315    HG3  GLN  42           2HG      GLN  42 -13.506   5.654   0.275
  316   HE21  GLN  42          2HE2      GLN  42 -13.602   5.011  -1.919
  317   HE22  GLN  42          1HE2      GLN  42 -13.973   3.433  -2.417
  318    H    GLU  43           H        GLU  43 -11.168   5.391   3.489
  319    HA   GLU  43           HA       GLU  43 -10.477   7.595   1.829
  320    HB2  GLU  43           1HB      GLU  43 -10.896   7.726   4.303
  321    HB3  GLU  43           2HB      GLU  43  -9.369   6.892   4.572
  322    HG2  GLU  43           1HG      GLU  43  -8.973   9.279   4.816
  323    HG3  GLU  43           2HG      GLU  43  -8.203   8.762   3.325
  324    H    PHE  44           H        PHE  44  -8.786   4.696   2.888
  325    HA   PHE  44           HA       PHE  44  -6.175   5.535   2.058
  326    HB2  PHE  44           1HB      PHE  44  -6.814   3.723   3.753
  327    HB3  PHE  44           2HB      PHE  44  -7.128   2.671   2.389
  328    HD1  PHE  44           HD2      PHE  44  -4.503   4.456   4.288
  329    HD2  PHE  44           HD1      PHE  44  -5.296   1.936   0.909
  330    HE1  PHE  44           HE2      PHE  44  -2.085   3.971   4.083
  331    HE2  PHE  44           HE1      PHE  44  -2.871   1.450   0.698
  332    HZ   PHE  44           HZ       PHE  44  -1.267   2.474   2.274
  333    H    ILE  45           H        ILE  45  -8.621   3.389   0.692
  334    HA   ILE  45           HA       ILE  45  -7.239   2.795  -1.705
  335    HB   ILE  45           HB       ILE  45 -10.158   2.705  -0.867
  336   HG12  ILE  45          1HG1      ILE  45  -9.858   0.262  -1.333
  337   HG13  ILE  45          2HG1      ILE  45  -8.202   0.566  -1.839
  338   HG21  ILE  45          1HG2      ILE  45 -10.612   1.585  -3.174
  339   HG22  ILE  45          2HG2      ILE  45  -9.096   2.324  -3.697
  340   HG23  ILE  45          3HG2      ILE  45 -10.442   3.341  -3.183
  341   HD11  ILE  45          3HD1      ILE  45  -9.268   1.223   0.910
  342   HD12  ILE  45          1HD1      ILE  45  -7.589   1.274   0.392
  343   HD13  ILE  45          2HD1      ILE  45  -8.429  -0.264   0.523
  344    H    ASP  46           H        ASP  46  -9.341   5.424  -0.761
  345    HA   ASP  46           HA       ASP  46  -9.748   6.562  -3.310
  346    HB2  ASP  46           1HB      ASP  46 -10.996   7.204  -1.262
  347    HB3  ASP  46           2HB      ASP  46  -9.553   8.002  -0.643
  348    H    TYR  47           H        TYR  47  -7.087   6.846  -1.021
  349    HA   TYR  47           HA       TYR  47  -5.760   9.005  -2.337
  350    HB2  TYR  47           1HB      TYR  47  -5.174   8.596  -0.054
  351    HB3  TYR  47           2HB      TYR  47  -4.825   6.910  -0.363
  352    HD1  TYR  47           HD1      TYR  47  -3.592  10.373  -0.824
  353    HD2  TYR  47           HD2      TYR  47  -2.754   6.205  -1.470
  354    HE1  TYR  47           HE1      TYR  47  -1.257  10.939  -1.436
  355    HE2  TYR  47           HE2      TYR  47  -0.430   6.764  -2.084
  356    HH   TYR  47           HH       TYR  47   0.654  10.171  -2.223
  357    H    ILE  48           H        ILE  48  -5.242   5.488  -2.416
  358    HA   ILE  48           HA       ILE  48  -3.004   5.407  -4.036
  359    HB   ILE  48           HB       ILE  48  -5.280   3.393  -4.286
  360   HG12  ILE  48          1HG1      ILE  48  -3.048   3.462  -2.209
  361   HG13  ILE  48          2HG1      ILE  48  -4.734   3.824  -1.896
  362   HG21  ILE  48          1HG2      ILE  48  -2.259   3.118  -4.527
  363   HG22  ILE  48          2HG2      ILE  48  -3.373   3.174  -5.897
  364   HG23  ILE  48          3HG2      ILE  48  -3.436   1.829  -4.770
  365   HD11  ILE  48          3HD1      ILE  48  -3.636   1.167  -2.802
  366   HD12  ILE  48          1HD1      ILE  48  -5.354   1.542  -2.664
  367   HD13  ILE  48          2HD1      ILE  48  -4.332   1.552  -1.239
  368    H    HIS  49           H        HIS  49  -6.364   5.873  -4.956
  369    HA   HIS  49           HA       HIS  49  -5.825   5.734  -7.831
  370    HB2  HIS  49           1HB      HIS  49  -8.306   6.580  -6.295
  371    HB3  HIS  49           2HB      HIS  49  -8.219   6.251  -8.026
  372    HD1  HIS  49           HD1      HIS  49 -10.163   4.568  -6.574
  373    HD2  HIS  49           HD2      HIS  49  -6.144   3.484  -6.800
  374    HE1  HIS  49           HE1      HIS  49 -10.071   2.073  -6.184
  375    HE2  HIS  49           HE2      HIS  49  -7.630   1.388  -6.318
  376    H    SER  50           H        SER  50  -5.977   8.162  -5.314
  377    HA   SER  50           HA       SER  50  -6.563  10.407  -6.974
  378    HB2  SER  50           1HB      SER  50  -6.005  11.728  -5.035
  379    HB3  SER  50           2HB      SER  50  -6.840  10.281  -4.472
  380    HG   SER  50           HG       SER  50  -4.766  10.957  -3.425
  381    H    LYS  51           H        LYS  51  -3.715   8.551  -6.493
  382    HA   LYS  51           HA       LYS  51  -1.879  10.677  -7.357
  383    HB2  LYS  51           1HB      LYS  51  -1.387   7.755  -6.710
  384    HB3  LYS  51           2HB      LYS  51  -0.143   8.965  -6.988
  385    HG2  LYS  51           1HG      LYS  51  -2.224   9.285  -4.773
  386    HG3  LYS  51           2HG      LYS  51  -0.725   8.416  -4.507
  387    HD2  LYS  51           1HD      LYS  51  -0.845  11.314  -5.464
  388    HD3  LYS  51           2HD      LYS  51  -0.639  10.840  -3.801
  389    HE2  LYS  51           1HE      LYS  51   1.422   9.422  -4.781
  390    HE3  LYS  51           2HE      LYS  51   1.335  10.624  -6.064
  391    HZ1  LYS  51           3HZ      LYS  51   2.792  11.190  -4.160
  392    HZ2  LYS  51           1HZ      LYS  51   1.402  11.314  -3.196
  393    HZ3  LYS  51           2HZ      LYS  51   1.607  12.352  -4.526
  394    H    LYS  52           H        LYS  52  -0.098   9.462  -8.898
  395    HA   LYS  52           HA       LYS  52  -1.580   8.500 -11.299
  396    HB2  LYS  52           1HB      LYS  52   0.673  10.523 -11.199
  397    HB3  LYS  52           2HB      LYS  52  -0.059   9.867 -12.664
  398    HG2  LYS  52           1HG      LYS  52  -2.254  10.784 -11.978
  399    HG3  LYS  52           2HG      LYS  52  -1.516  11.452 -10.519
  400    HD2  LYS  52           1HD      LYS  52   0.010  12.817 -11.937
  401    HD3  LYS  52           2HD      LYS  52  -0.781  12.172 -13.377
  402    HE2  LYS  52           1HE      LYS  52  -2.113  13.804 -11.192
  403    HE3  LYS  52           2HE      LYS  52  -1.724  14.368 -12.818
  404    HZ1  LYS  52           3HZ      LYS  52  -3.110  12.121 -13.311
  405    HZ2  LYS  52           1HZ      LYS  52  -3.780  13.679 -13.295
  406    HZ3  LYS  52           2HZ      LYS  52  -3.892  12.694 -11.915
  407    H    VAL  53           H        VAL  53  -0.090   7.543 -12.891
  408    HA   VAL  53           HA       VAL  53   1.359   5.402 -11.665
  409    HB   VAL  53           HB       VAL  53   1.343   6.218 -14.597
  410   HG11  VAL  53          1HG1      VAL  53   1.803   3.793 -14.959
  411   HG12  VAL  53          2HG1      VAL  53   1.897   3.563 -13.215
  412   HG13  VAL  53          3HG1      VAL  53   3.095   4.559 -14.040
  413   HG21  VAL  53          3HG2      VAL  53  -0.521   4.383 -13.044
  414   HG22  VAL  53          1HG2      VAL  53  -0.530   4.600 -14.795
  415   HG23  VAL  53          2HG2      VAL  53  -0.953   5.946 -13.742
  416    H    GLY  54           H        GLY  54   3.467   5.133 -11.312
  417    HA2  GLY  54           1HA      GLY  54   5.786   5.414 -11.584
  418    HA3  GLY  54           2HA      GLY  54   5.514   6.849 -12.563
  419    H    ASP  55           H        ASP  55   3.497   7.225 -10.069
  420    HA   ASP  55           HA       ASP  55   5.058   9.261  -8.787
  421    HB2  ASP  55           1HB      ASP  55   2.423   7.959  -8.029
  422    HB3  ASP  55           2HB      ASP  55   3.086   9.395  -7.254
  423    H    THR  56           H        THR  56   5.944   9.285  -6.730
  424    HA   THR  56           HA       THR  56   6.543   6.630  -5.517
  425    HB   THR  56           HB       THR  56   7.961   9.271  -5.026
  426    HG1  THR  56           HG1      THR  56   9.465   7.691  -6.425
  427   HG21  THR  56          3HG2      THR  56   9.771   7.798  -4.208
  428   HG22  THR  56          1HG2      THR  56   8.759   6.388  -4.516
  429   HG23  THR  56          2HG2      THR  56   8.292   7.558  -3.283
  430    H    VAL  57           H        VAL  57   6.033   6.235  -3.439
  431    HA   VAL  57           HA       VAL  57   4.851   8.357  -1.728
  432    HB   VAL  57           HB       VAL  57   2.990   6.858  -1.126
  433   HG11  VAL  57          1HG1      VAL  57   3.186   7.264  -4.133
  434   HG12  VAL  57          2HG1      VAL  57   2.764   8.525  -2.982
  435   HG13  VAL  57          3HG1      VAL  57   1.708   7.131  -3.188
  436   HG21  VAL  57          3HG2      VAL  57   4.114   4.680  -1.648
  437   HG22  VAL  57          1HG2      VAL  57   4.030   5.084  -3.360
  438   HG23  VAL  57          2HG2      VAL  57   2.553   4.823  -2.444
  439    H    LYS  58           H        LYS  58   4.566   7.716   0.470
  440    HA   LYS  58           HA       LYS  58   6.608   5.756   1.452
  441    HB2  LYS  58           1HB      LYS  58   5.759   8.396   2.707
  442    HB3  LYS  58           2HB      LYS  58   6.931   7.263   3.366
  443    HG2  LYS  58           1HG      LYS  58   8.484   8.603   2.245
  444    HG3  LYS  58           2HG      LYS  58   8.034   7.622   0.854
  445    HD2  LYS  58           1HD      LYS  58   6.272   9.334   0.290
  446    HD3  LYS  58           2HD      LYS  58   6.859  10.321   1.624
  447    HE2  LYS  58           1HE      LYS  58   8.522   9.423  -0.749
  448    HE3  LYS  58           2HE      LYS  58   7.851  11.039  -0.521
  449    HZ1  LYS  58           3HZ      LYS  58   9.064  10.937   1.719
  450    HZ2  LYS  58           1HZ      LYS  58   9.976  11.233   0.319
  451    HZ3  LYS  58           2HZ      LYS  58   9.965   9.681   1.014
  452    H    ILE  59           H        ILE  59   5.631   4.101   2.404
  453    HA   ILE  59           HA       ILE  59   2.928   4.423   3.508
  454    HB   ILE  59           HB       ILE  59   3.520   2.602   1.832
  455   HG12  ILE  59          1HG1      ILE  59   2.495   1.522   4.500
  456   HG13  ILE  59          2HG1      ILE  59   1.512   2.551   3.468
  457   HG21  ILE  59          1HG2      ILE  59   5.703   1.958   2.817
  458   HG22  ILE  59          2HG2      ILE  59   4.631   0.591   2.637
  459   HG23  ILE  59          3HG2      ILE  59   4.881   1.311   4.213
  460   HD11  ILE  59          3HD1      ILE  59   2.718   0.240   2.084
  461   HD12  ILE  59          1HD1      ILE  59   1.099   0.900   1.989
  462   HD13  ILE  59          2HD1      ILE  59   1.561  -0.149   3.323
  463    H    LYS  60           H        LYS  60   2.400   4.026   5.593
  464    HA   LYS  60           HA       LYS  60   4.592   3.439   7.519
  465    HB2  LYS  60           1HB      LYS  60   3.852   5.796   7.640
  466    HB3  LYS  60           2HB      LYS  60   2.194   5.264   7.876
  467    HG2  LYS  60           1HG      LYS  60   2.749   4.179   9.964
  468    HG3  LYS  60           2HG      LYS  60   4.469   4.496   9.724
  469    HD2  LYS  60           1HD      LYS  60   4.013   6.927   9.825
  470    HD3  LYS  60           2HD      LYS  60   2.306   6.586  10.096
  471    HE2  LYS  60           1HE      LYS  60   2.851   5.382  12.165
  472    HE3  LYS  60           2HE      LYS  60   4.571   5.687  11.900
  473    HZ1  LYS  60           3HZ      LYS  60   4.352   7.675  12.801
  474    HZ2  LYS  60           1HZ      LYS  60   2.723   7.342  13.142
  475    HZ3  LYS  60           2HZ      LYS  60   3.146   8.097  11.680
  476    H    TYR  61           H        TYR  61   4.254   1.515   8.453
  477    HA   TYR  61           HA       TYR  61   1.551   0.678   9.210
  478    HB2  TYR  61           1HB      TYR  61   1.602  -1.365   7.963
  479    HB3  TYR  61           2HB      TYR  61   2.094  -0.126   6.844
  480    HD1  TYR  61           HD2      TYR  61   3.385  -2.842   9.063
  481    HD2  TYR  61           HD1      TYR  61   4.299  -0.160   5.859
  482    HE1  TYR  61           HE2      TYR  61   5.495  -4.067   8.638
  483    HE2  TYR  61           HE1      TYR  61   6.412  -1.371   5.425
  484    HH   TYR  61           HH       TYR  61   7.058  -4.265   6.253
  485    H    LYS  62           H        LYS  62   1.581  -1.184  10.659
  486    HA   LYS  62           HA       LYS  62   4.164  -1.562  12.085
  487    HB2  LYS  62           1HB      LYS  62   1.416  -1.339  13.350
  488    HB3  LYS  62           2HB      LYS  62   2.960  -1.550  14.186
  489    HG2  LYS  62           1HG      LYS  62   3.665   0.688  13.002
  490    HG3  LYS  62           2HG      LYS  62   1.943   0.897  12.686
  491    HD2  LYS  62           1HD      LYS  62   3.277   0.609  15.407
  492    HD3  LYS  62           2HD      LYS  62   2.526   2.064  14.749
  493    HE2  LYS  62           1HE      LYS  62   1.151  -0.506  15.636
  494    HE3  LYS  62           2HE      LYS  62   0.882   1.128  16.240
  495    HZ1  LYS  62           3HZ      LYS  62   0.322   0.264  13.459
  496    HZ2  LYS  62           1HZ      LYS  62  -0.079   1.750  14.169
  497    HZ3  LYS  62           2HZ      LYS  62  -0.845   0.328  14.693
  498    H    HIS  63           H        HIS  63   4.748  -3.607  11.937
  499    HA   HIS  63           HA       HIS  63   2.685  -5.750  11.825
  500    HB2  HIS  63           1HB      HIS  63   4.199  -5.705   9.895
  501    HB3  HIS  63           2HB      HIS  63   5.601  -5.766  10.964
  502    HD1  HIS  63           HD1      HIS  63   6.514  -8.090  10.945
  503    HD2  HIS  63           HD2      HIS  63   2.344  -8.089  10.881
  504    HE1  HIS  63           HE1      HIS  63   5.796 -10.512  11.044
  505    HE2  HIS  63           HE2      HIS  63   3.259 -10.538  11.005
  506    H    GLY  64           H        GLY  64   2.327  -6.529  13.779
  507    HA2  GLY  64           1HA      GLY  64   2.694  -7.594  15.776
  508    HA3  GLY  64           2HA      GLY  64   4.409  -7.683  15.383
  509    H    ASN  65           H        ASN  65   5.696  -6.551  16.711
  510    HA   ASN  65           HA       ASN  65   4.615  -4.188  18.192
  511    HB2  ASN  65           1HB      ASN  65   6.734  -6.175  19.048
  512    HB3  ASN  65           2HB      ASN  65   6.182  -4.784  19.983
  513   HD21  ASN  65          2HD2      ASN  65   5.618  -8.103  19.463
  514   HD22  ASN  65          1HD2      ASN  65   4.080  -8.193  20.174
  515    H    LYS  66           H        LYS  66   6.309  -4.641  15.559
  516    HA   LYS  66           HA       LYS  66   8.368  -2.569  16.216
  517    HB2  LYS  66           1HB      LYS  66   9.332  -4.837  15.831
  518    HB3  LYS  66           2HB      LYS  66   8.615  -4.836  14.222
  519    HG2  LYS  66           1HG      LYS  66   9.951  -2.879  13.577
  520    HG3  LYS  66           2HG      LYS  66  10.583  -2.729  15.213
  521    HD2  LYS  66           1HD      LYS  66  12.253  -3.814  13.808
  522    HD3  LYS  66           2HD      LYS  66  11.644  -4.974  14.985
  523    HE2  LYS  66           1HE      LYS  66  10.376  -6.148  13.322
  524    HE3  LYS  66           2HE      LYS  66  10.456  -4.801  12.182
  525    HZ1  LYS  66           3HZ      LYS  66  12.204  -5.794  11.331
  526    HZ2  LYS  66           1HZ      LYS  66  12.268  -6.935  12.584
  527    HZ3  LYS  66           2HZ      LYS  66  13.055  -5.440  12.759
  528    H    ASN  67           H        ASN  67   7.946  -0.736  15.210
  529    HA   ASN  67           HA       ASN  67   6.185  -0.598  12.906
  530    HB2  ASN  67           1HB      ASN  67   6.050   1.059  14.753
  531    HB3  ASN  67           2HB      ASN  67   7.668   1.623  14.344
  532   HD21  ASN  67          2HD2      ASN  67   5.441   3.405  14.184
  533   HD22  ASN  67          1HD2      ASN  67   5.148   3.769  12.553
  534    H    GLU  68           H        GLU  68   6.790  -0.346  10.904
  535    HA   GLU  68           HA       GLU  68   9.629   0.240  10.168
  536    HB2  GLU  68           1HB      GLU  68   7.775  -1.823   8.931
  537    HB3  GLU  68           2HB      GLU  68   9.379  -1.412   8.324
  538    HG2  GLU  68           1HG      GLU  68   8.835  -2.485  11.124
  539    HG3  GLU  68           2HG      GLU  68   9.356  -3.480   9.767
  540    H    GLU  69           H        GLU  69   9.899   1.038   8.023
  541    HA   GLU  69           HA       GLU  69   7.547   2.328   6.765
  542    HB2  GLU  69           1HB      GLU  69   8.744   4.493   6.634
  543    HB3  GLU  69           2HB      GLU  69   8.422   4.015   8.300
  544    HG2  GLU  69           1HG      GLU  69  10.739   3.142   8.481
  545    HG3  GLU  69           2HG      GLU  69  11.063   3.680   6.836
  546    H    ALA  70           H        ALA  70   7.659   2.487   4.625
  547    HA   ALA  70           HA       ALA  70  10.168   2.049   3.161
  548    HB1  ALA  70           3HB      ALA  70   7.778   0.209   2.825
  549    HB2  ALA  70           1HB      ALA  70   9.289  -0.223   3.631
  550    HB3  ALA  70           2HB      ALA  70   9.293   0.164   1.910
  551    H    SER  71           H        SER  71   9.904   2.324   0.869
  552    HA   SER  71           HA       SER  71   7.552   3.978   0.076
  553    HB2  SER  71           1HB      SER  71   9.042   5.450  -1.187
  554    HB3  SER  71           2HB      SER  71   9.516   5.438   0.513
  555    HG   SER  71           HG       SER  71  10.653   3.511  -1.142
  556    H    ILE  72           H        ILE  72   6.728   3.541  -1.893
  557    HA   ILE  72           HA       ILE  72   8.159   1.699  -3.731
  558    HB   ILE  72           HB       ILE  72   5.802   0.586  -4.008
  559   HG12  ILE  72          1HG1      ILE  72   4.661   2.379  -2.573
  560   HG13  ILE  72          2HG1      ILE  72   4.246   0.718  -2.193
  561   HG21  ILE  72          1HG2      ILE  72   6.266  -0.955  -2.046
  562   HG22  ILE  72          2HG2      ILE  72   7.565   0.146  -1.591
  563   HG23  ILE  72          3HG2      ILE  72   7.626  -0.693  -3.138
  564   HD11  ILE  72          3HD1      ILE  72   6.413   1.291  -0.446
  565   HD12  ILE  72          1HD1      ILE  72   4.704   1.231  -0.039
  566   HD13  ILE  72          2HD1      ILE  72   5.455   2.757  -0.484
  567    H    LYS  73           H        LYS  73   7.640   1.883  -5.847
  568    HA   LYS  73           HA       LYS  73   6.458   4.415  -6.642
  569    HB2  LYS  73           1HB      LYS  73   8.578   3.578  -7.628
  570    HB3  LYS  73           2HB      LYS  73   7.698   2.204  -8.294
  571    HG2  LYS  73           1HG      LYS  73   6.319   3.687  -9.680
  572    HG3  LYS  73           2HG      LYS  73   7.029   5.111  -8.922
  573    HD2  LYS  73           1HD      LYS  73   8.074   4.735 -11.102
  574    HD3  LYS  73           2HD      LYS  73   9.251   4.470  -9.823
  575    HE2  LYS  73           1HE      LYS  73   7.702   2.081 -10.878
  576    HE3  LYS  73           2HE      LYS  73   9.069   2.704 -11.800
  577    HZ1  LYS  73           3HZ      LYS  73   9.854   2.621  -9.141
  578    HZ2  LYS  73           1HZ      LYS  73  10.409   1.658 -10.422
  579    HZ3  LYS  73           2HZ      LYS  73   9.101   1.135  -9.472
  580    H    LEU  74           H        LEU  74   4.513   4.643  -7.597
  581    HA   LEU  74           HA       LEU  74   2.616   2.508  -7.488
  582    HB2  LEU  74           1HB      LEU  74   2.623   5.381  -8.384
  583    HB3  LEU  74           2HB      LEU  74   1.302   4.374  -8.934
  584    HG   LEU  74           HG       LEU  74   0.729   5.567  -6.851
  585   HD11  LEU  74          1HD1      LEU  74  -0.488   3.842  -5.976
  586   HD12  LEU  74          2HD1      LEU  74   0.878   2.748  -5.824
  587   HD13  LEU  74          3HD1      LEU  74   0.081   2.962  -7.383
  588   HD21  LEU  74          3HD2      LEU  74   2.915   3.926  -5.505
  589   HD22  LEU  74          1HD2      LEU  74   1.904   5.163  -4.768
  590   HD23  LEU  74          2HD2      LEU  74   3.109   5.616  -5.960
  591    H    THR  75           H        THR  75   1.577   1.419  -9.106
  592    HA   THR  75           HA       THR  75   2.674   1.559 -11.849
  593    HB   THR  75           HB       THR  75   3.165  -0.788 -11.914
  594    HG1  THR  75           HG1      THR  75   2.336  -1.119  -9.253
  595   HG21  THR  75          3HG2      THR  75   4.897  -1.039 -10.219
  596   HG22  THR  75          1HG2      THR  75   4.088   0.121  -9.171
  597   HG23  THR  75          2HG2      THR  75   4.845   0.670 -10.665
  598    H    ALA  76           H        ALA  76   1.431   0.138 -13.308
  599    HA   ALA  76           HA       ALA  76  -1.437   0.666 -13.019
  600    HB1  ALA  76           3HB      ALA  76   0.104  -0.792 -15.210
  601    HB2  ALA  76           1HB      ALA  76  -0.248   0.937 -15.195
  602    HB3  ALA  76           2HB      ALA  76  -1.572  -0.228 -15.298
  603    H    ILE  77           H        ILE  77  -3.032  -0.879 -12.937
  604    HA   ILE  77           HA       ILE  77  -2.256  -3.695 -12.348
  605    HB   ILE  77           HB       ILE  77  -4.377  -3.515 -10.729
  606   HG12  ILE  77          1HG1      ILE  77  -3.357  -0.651 -10.434
  607   HG13  ILE  77          2HG1      ILE  77  -4.670  -0.992 -11.533
  608   HG21  ILE  77          1HG2      ILE  77  -1.656  -2.374 -10.009
  609   HG22  ILE  77          2HG2      ILE  77  -2.124  -4.072  -9.943
  610   HG23  ILE  77          3HG2      ILE  77  -2.866  -2.911  -8.843
  611   HD11  ILE  77          3HD1      ILE  77  -4.785  -1.907  -8.661
  612   HD12  ILE  77          1HD1      ILE  77  -6.103  -1.727  -9.830
  613   HD13  ILE  77          2HD1      ILE  77  -5.303  -0.294  -9.163
  614    H    ASP  78           H        ASP  78  -5.112  -1.642 -13.050
  615    HA   ASP  78           HA       ASP  78  -6.360  -3.929 -14.453
  616    HB2  ASP  78           1HB      ASP  78  -7.505  -1.223 -13.708
  617    HB3  ASP  78           2HB      ASP  78  -8.390  -2.565 -14.408
  618    H    LYS  79           H        LYS  79  -7.526  -3.469 -16.423
  619    HA   LYS  79           HA       LYS  79  -5.866  -2.654 -18.505
  620    HB2  LYS  79           1HB      LYS  79  -7.942  -2.807 -19.894
  621    HB3  LYS  79           2HB      LYS  79  -7.735  -4.194 -18.823
  622    HG2  LYS  79           1HG      LYS  79  -9.289  -3.090 -17.168
  623    HG3  LYS  79           2HG      LYS  79  -9.559  -1.803 -18.342
  624    HD2  LYS  79           1HD      LYS  79 -10.441  -3.440 -19.955
  625    HD3  LYS  79           2HD      LYS  79 -10.157  -4.740 -18.798
  626    HE2  LYS  79           1HE      LYS  79 -12.017  -2.376 -18.379
  627    HE3  LYS  79           2HE      LYS  79 -12.517  -4.030 -18.733
  628    HZ1  LYS  79           3HZ      LYS  79 -11.066  -4.554 -16.655
  629    HZ2  LYS  79           1HZ      LYS  79 -12.654  -3.993 -16.464
  630    HZ3  LYS  79           2HZ      LYS  79 -11.349  -2.923 -16.276
  631    H    LYS  80           H        LYS  80  -7.807  -0.743 -16.399
  632    HA   LYS  80           HA       LYS  80  -8.138   1.505 -18.237
  633    HB2  LYS  80           1HB      LYS  80  -8.641   1.279 -15.253
  634    HB3  LYS  80           2HB      LYS  80  -9.084   2.661 -16.259
  635    HG2  LYS  80           1HG      LYS  80 -10.508   1.178 -17.655
  636    HG3  LYS  80           2HG      LYS  80 -10.080  -0.184 -16.617
  637    HD2  LYS  80           1HD      LYS  80 -11.076   0.975 -14.676
  638    HD3  LYS  80           2HD      LYS  80 -11.514   2.332 -15.714
  639    HE2  LYS  80           1HE      LYS  80 -12.495  -0.523 -16.043
  640    HE3  LYS  80           2HE      LYS  80 -13.436   0.819 -15.391
  641    HZ1  LYS  80           3HZ      LYS  80 -14.045   0.765 -17.606
  642    HZ2  LYS  80           1HZ      LYS  80 -12.479   0.399 -18.148
  643    HZ3  LYS  80           2HZ      LYS  80 -12.842   1.963 -17.590
  644    H    GLY  81           H        GLY  81  -5.620   0.376 -16.213
  645    HA2  GLY  81           1HA      GLY  81  -3.482   1.242 -15.940
  646    HA3  GLY  81           2HA      GLY  81  -3.962   2.666 -16.849
  647    H    THR  82           H        THR  82  -5.725   1.508 -14.011
  648    HA   THR  82           HA       THR  82  -5.421   4.085 -12.770
  649    HB   THR  82           HB       THR  82  -6.709   1.586 -11.669
  650    HG1  THR  82           HG1      THR  82  -8.570   2.587 -12.419
  651   HG21  THR  82          3HG2      THR  82  -7.853   3.231 -10.156
  652   HG22  THR  82          1HG2      THR  82  -6.812   4.503 -10.790
  653   HG23  THR  82          2HG2      THR  82  -6.117   3.171  -9.867
  654    HA   PRO  83           HA       PRO  83  -1.527   2.935 -10.648
  655    HB2  PRO  83           1HB      PRO  83  -2.529   4.976  -8.647
  656    HB3  PRO  83           2HB      PRO  83  -0.927   4.844  -9.389
  657    HG2  PRO  83           1HG      PRO  83  -2.665   6.691 -10.199
  658    HG3  PRO  83           2HG      PRO  83  -1.596   5.875 -11.360
  659    HD2  PRO  83           1HD      PRO  83  -4.544   5.472 -10.902
  660    HD3  PRO  83           2HD      PRO  83  -3.583   5.308 -12.392
  661    H    GLY  84           H        GLY  84  -1.242   1.227  -9.346
  662    HA2  GLY  84           1HA      GLY  84  -2.790   0.901  -6.868
  663    HA3  GLY  84           2HA      GLY  84  -2.981  -0.355  -8.072
  664    H    ILE  85           H        ILE  85  -1.532   0.127  -5.302
  665    HA   ILE  85           HA       ILE  85   1.208  -0.432  -5.654
  666    HB   ILE  85           HB       ILE  85  -0.691  -1.104  -3.384
  667   HG12  ILE  85          1HG1      ILE  85   1.360   1.144  -3.571
  668   HG13  ILE  85          2HG1      ILE  85  -0.341   1.351  -3.982
  669   HG21  ILE  85          1HG2      ILE  85   2.345  -1.356  -3.580
  670   HG22  ILE  85          2HG2      ILE  85   1.180  -2.569  -3.049
  671   HG23  ILE  85          3HG2      ILE  85   1.540  -1.201  -2.019
  672   HD11  ILE  85          3HD1      ILE  85  -1.000   0.687  -1.709
  673   HD12  ILE  85          1HD1      ILE  85   0.116   2.050  -1.646
  674   HD13  ILE  85          2HD1      ILE  85   0.690   0.426  -1.278
  675    H    GLY  86           H        GLY  86  -1.611  -2.485  -5.900
  676    HA2  GLY  86           1HA      GLY  86  -1.561  -4.560  -7.097
  677    HA3  GLY  86           2HA      GLY  86   0.121  -4.788  -6.643
  678    H    ILE  87           H        ILE  87  -2.761  -4.016  -4.722
  679    HA   ILE  87           HA       ILE  87  -2.682  -6.612  -3.343
  680    HB   ILE  87           HB       ILE  87  -2.852  -5.097  -1.099
  681   HG12  ILE  87          1HG1      ILE  87  -1.348  -3.142  -1.208
  682   HG13  ILE  87          2HG1      ILE  87  -1.096  -3.411  -2.922
  683   HG21  ILE  87          1HG2      ILE  87  -0.210  -5.734  -2.451
  684   HG22  ILE  87          2HG2      ILE  87  -1.165  -6.834  -1.455
  685   HG23  ILE  87          3HG2      ILE  87  -0.433  -5.404  -0.730
  686   HD11  ILE  87          3HD1      ILE  87  -2.827  -1.609  -2.201
  687   HD12  ILE  87          1HD1      ILE  87  -3.865  -2.968  -1.834
  688   HD13  ILE  87          2HD1      ILE  87  -3.297  -2.729  -3.473
  689    H    THR  88           H        THR  88  -4.488  -6.847  -1.852
  690    HA   THR  88           HA       THR  88  -6.895  -5.248  -2.636
  691    HB   THR  88           HB       THR  88  -6.588  -8.250  -2.505
  692    HG1  THR  88           HG1      THR  88  -6.575  -6.444  -4.406
  693   HG21  THR  88          3HG2      THR  88  -9.159  -8.133  -3.023
  694   HG22  THR  88          1HG2      THR  88  -9.095  -6.541  -2.269
  695   HG23  THR  88          2HG2      THR  88  -8.649  -7.980  -1.336
  696    H    LEU  89           H        LEU  89  -7.799  -4.334  -0.943
  697    HA   LEU  89           HA       LEU  89  -7.315  -5.334   1.784
  698    HB2  LEU  89           1HB      LEU  89  -8.596  -2.694   0.962
  699    HB3  LEU  89           2HB      LEU  89  -7.878  -3.126   2.505
  700    HG   LEU  89           HG       LEU  89  -6.275  -1.728   1.369
  701   HD11  LEU  89          1HD1      LEU  89  -5.178  -4.505   0.852
  702   HD12  LEU  89          2HD1      LEU  89  -5.419  -3.900   2.484
  703   HD13  LEU  89          3HD1      LEU  89  -4.318  -3.066   1.391
  704   HD21  LEU  89          3HD2      LEU  89  -5.946  -3.458  -1.074
  705   HD22  LEU  89          1HD2      LEU  89  -5.746  -1.723  -0.881
  706   HD23  LEU  89          2HD2      LEU  89  -7.353  -2.414  -1.034
  707    H    VAL  90           H        VAL  90  -8.887  -5.970   3.039
  708    HA   VAL  90           HA       VAL  90 -11.637  -6.274   1.954
  709    HB   VAL  90           HB       VAL  90 -11.801  -8.104   3.727
  710   HG11  VAL  90          1HG1      VAL  90 -10.614  -9.742   2.353
  711   HG12  VAL  90          2HG1      VAL  90  -9.682  -8.465   1.583
  712   HG13  VAL  90          3HG1      VAL  90 -11.416  -8.580   1.317
  713   HG21  VAL  90          3HG2      VAL  90  -9.700  -8.999   4.634
  714   HG22  VAL  90          1HG2      VAL  90  -9.859  -7.307   5.104
  715   HG23  VAL  90          2HG2      VAL  90  -8.770  -7.760   3.793
  716    H    ASP  91           H        ASP  91 -13.200  -6.587   3.883
  717    HA   ASP  91           HA       ASP  91 -14.445  -5.566   5.478
  718    HB2  ASP  91           1HB      ASP  91 -11.800  -4.480   6.500
  719    HB3  ASP  91           2HB      ASP  91 -13.309  -4.558   7.387
  720    H    ASP  92           H        ASP  92 -14.275  -4.326   3.018
  721    HA   ASP  92           HA       ASP  92 -13.957  -1.423   3.473
  722    HB2  ASP  92           1HB      ASP  92 -14.374  -1.260   1.039
  723    HB3  ASP  92           2HB      ASP  92 -13.042  -2.351   1.403
  724    H    LEU  93           H        LEU  93 -15.723  -0.107   2.305
  725    HA   LEU  93           HA       LEU  93 -18.148  -0.381   3.755
  726    HB2  LEU  93           1HB      LEU  93 -17.639   1.276   1.258
  727    HB3  LEU  93           2HB      LEU  93 -18.890   1.554   2.471
  728    HG   LEU  93           HG       LEU  93 -15.890   1.708   2.959
  729   HD11  LEU  93          1HD1      LEU  93 -16.294   4.135   3.207
  730   HD12  LEU  93          2HD1      LEU  93 -17.985   3.893   2.768
  731   HD13  LEU  93          3HD1      LEU  93 -16.714   3.564   1.593
  732   HD21  LEU  93          3HD2      LEU  93 -16.737   2.825   5.170
  733   HD22  LEU  93          1HD2      LEU  93 -16.824   1.074   5.058
  734   HD23  LEU  93          2HD2      LEU  93 -18.278   2.043   4.816
  735    H    GLU  94           H        GLU  94 -17.246  -1.189   0.453
  736    HA   GLU  94           HA       GLU  94 -19.851  -1.848  -0.469
  737    HB2  GLU  94           1HB      GLU  94 -17.130  -2.858  -1.359
  738    HB3  GLU  94           2HB      GLU  94 -18.633  -3.089  -2.253
  739    HG2  GLU  94           1HG      GLU  94 -18.913  -0.642  -2.432
  740    HG3  GLU  94           2HG      GLU  94 -17.422  -0.399  -1.527
  741    H    HIS  95           H        HIS  95 -20.863  -3.874  -0.664
  742    HA   HIS  95           HA       HIS  95 -20.248  -5.754   1.507
  743    HB2  HIS  95           1HB      HIS  95 -22.539  -5.711  -0.487
  744    HB3  HIS  95           2HB      HIS  95 -22.413  -6.758   0.930
  745    HD1  HIS  95           HD1      HIS  95 -21.979  -5.272   3.268
  746    HD2  HIS  95           HD2      HIS  95 -23.910  -3.382   0.092
  747    HE1  HIS  95           HE1      HIS  95 -23.177  -3.273   4.249
  748    HE2  HIS  95           HE2      HIS  95 -24.360  -2.107   2.330
  749    H    HIS  96           H        HIS  96 -19.373  -5.404  -1.706
  750    HA   HIS  96           HA       HIS  96 -18.399  -6.774  -3.252
  751    HB2  HIS  96           1HB      HIS  96 -16.895  -7.250  -1.337
  752    HB3  HIS  96           2HB      HIS  96 -17.937  -8.580  -0.853
  753    HD1  HIS  96           HD1      HIS  96 -17.598 -10.798  -2.009
  754    HD2  HIS  96           HD2      HIS  96 -15.625  -7.688  -3.964
  755    HE1  HIS  96           HE1      HIS  96 -16.179 -11.872  -3.805
  756    HE2  HIS  96           HE2      HIS  96 -14.968  -9.994  -5.008
  757    H    HIS  97           H        HIS  97 -19.632  -7.717  -4.753
  758    HA   HIS  97           HA       HIS  97 -21.180  -9.057  -5.781
  759    HB2  HIS  97           1HB      HIS  97 -19.457 -10.746  -5.202
  760    HB3  HIS  97           2HB      HIS  97 -20.269 -11.038  -3.667
  761    HD1  HIS  97           HD1      HIS  97 -21.120 -11.118  -7.389
  762    HD2  HIS  97           HD2      HIS  97 -22.211 -13.006  -3.833
  763    HE1  HIS  97           HE1      HIS  97 -22.758 -12.939  -8.021
  764    HE2  HIS  97           HE2      HIS  97 -23.434 -14.101  -5.869
  765    H    HIS  98           H        HIS  98 -23.017  -7.827  -5.187
  766    HA   HIS  98           HA       HIS  98 -24.447  -8.207  -2.736
  767    HB2  HIS  98           1HB      HIS  98 -26.260  -6.969  -3.896
  768    HB3  HIS  98           2HB      HIS  98 -24.702  -6.162  -4.054
  769    HD1  HIS  98           HD1      HIS  98 -23.554  -6.205  -6.393
  770    HD2  HIS  98           HD2      HIS  98 -27.299  -8.032  -6.329
  771    HE1  HIS  98           HE1      HIS  98 -24.230  -6.528  -8.809
  772    HE2  HIS  98           HE2      HIS  98 -26.513  -7.641  -8.791
  773    H    HIS  99           H        HIS  99 -26.714  -9.043  -2.680
  774    HA   HIS  99           HA       HIS  99 -27.459 -11.090  -4.618
  775    HB2  HIS  99           1HB      HIS  99 -27.468 -12.922  -2.945
  776    HB3  HIS  99           2HB      HIS  99 -25.840 -12.319  -3.248
  777    HD1  HIS  99           HD1      HIS  99 -24.689 -10.947  -1.356
  778    HD2  HIS  99           HD2      HIS  99 -28.485 -12.356  -0.348
  779    HE1  HIS  99           HE1      HIS  99 -24.931 -10.641   1.142
  780    HE2  HIS  99           HE2      HIS  99 -27.234 -11.491   1.783
  781    H    HIS 100           H        HIS 100 -29.500 -12.050  -4.176
  782    HA   HIS 100           HA       HIS 100 -31.224 -11.293  -2.064
  783    HB2  HIS 100           1HB      HIS 100 -31.176  -9.076  -3.198
  784    HB3  HIS 100           2HB      HIS 100 -31.712  -9.836  -4.693
  785    HD1  HIS 100           HD1      HIS 100 -32.895  -9.313  -1.109
  786    HD2  HIS 100           HD2      HIS 100 -34.482 -10.148  -4.874
  787    HE1  HIS 100           HE1      HIS 100 -35.410  -9.232  -0.858
  788    HE2  HIS 100           HE2      HIS 100 -36.397  -9.738  -3.140
  Start of MODEL    7
    1    H1   MET   1           1H       MET   1 -10.111   3.803  29.315
    2    H2   MET   1           2H       MET   1  -9.758   5.058  28.225
    3    H3   MET   1           3H       MET   1  -9.075   5.064  29.782
    4    HA   MET   1           HA       MET   1  -7.298   4.220  28.724
    5    HB2  MET   1           1HB      MET   1  -9.115   1.791  28.916
    6    HB3  MET   1           2HB      MET   1  -7.364   1.724  28.717
    7    HG2  MET   1           1HG      MET   1  -7.749   1.445  31.074
    8    HG3  MET   1           2HG      MET   1  -7.214   3.115  30.897
    9    HE1  MET   1           3HE      MET   1  -9.761   3.270  33.787
   10    HE2  MET   1           1HE      MET   1  -8.253   3.960  33.174
   11    HE3  MET   1           2HE      MET   1  -8.407   2.217  33.381
   12    H    VAL   2           H        VAL   2  -7.037   5.063  26.700
   13    HA   VAL   2           HA       VAL   2  -7.036   5.221  24.417
   14    HB   VAL   2           HB       VAL   2  -7.652   2.243  24.489
   15   HG11  VAL   2          1HG1      VAL   2  -7.764   3.289  22.244
   16   HG12  VAL   2          2HG1      VAL   2  -6.368   2.224  22.371
   17   HG13  VAL   2          3HG1      VAL   2  -6.156   3.971  22.483
   18   HG21  VAL   2          3HG2      VAL   2  -5.186   1.936  24.540
   19   HG22  VAL   2          1HG2      VAL   2  -5.764   2.744  25.994
   20   HG23  VAL   2          2HG2      VAL   2  -4.980   3.679  24.720
   21    H    LYS   3           H        LYS   3  -9.063   6.476  24.721
   22    HA   LYS   3           HA       LYS   3 -11.625   5.315  24.357
   23    HB2  LYS   3           1HB      LYS   3 -10.641   8.138  23.869
   24    HB3  LYS   3           2HB      LYS   3 -12.341   7.662  23.862
   25    HG2  LYS   3           1HG      LYS   3 -12.129   6.871  26.200
   26    HG3  LYS   3           2HG      LYS   3 -10.435   7.364  26.211
   27    HD2  LYS   3           1HD      LYS   3 -11.113   9.704  25.779
   28    HD3  LYS   3           2HD      LYS   3 -12.805   9.212  25.775
   29    HE2  LYS   3           1HE      LYS   3 -12.590   8.443  28.114
   30    HE3  LYS   3           2HE      LYS   3 -10.899   8.945  28.119
   31    HZ1  LYS   3           3HZ      LYS   3 -12.743  10.537  28.988
   32    HZ2  LYS   3           1HZ      LYS   3 -12.958  10.884  27.341
   33    HZ3  LYS   3           2HZ      LYS   3 -11.448  11.148  28.075
   34    H    VAL   4           H        VAL   4  -9.229   6.533  22.127
   35    HA   VAL   4           HA       VAL   4 -10.820   6.617  19.791
   36    HB   VAL   4           HB       VAL   4  -8.664   6.532  18.559
   37   HG11  VAL   4          1HG1      VAL   4  -7.693   8.565  19.565
   38   HG12  VAL   4          2HG1      VAL   4  -8.608   8.276  21.044
   39   HG13  VAL   4          3HG1      VAL   4  -9.454   8.657  19.545
   40   HG21  VAL   4          3HG2      VAL   4  -7.474   4.883  19.967
   41   HG22  VAL   4          1HG2      VAL   4  -7.494   6.008  21.322
   42   HG23  VAL   4          2HG2      VAL   4  -6.547   6.376  19.881
   43    H    THR   5           H        THR   5 -11.178   5.135  18.153
   44    HA   THR   5           HA       THR   5 -11.520   2.438  18.899
   45    HB   THR   5           HB       THR   5 -11.367   3.543  16.074
   46    HG1  THR   5           HG1      THR   5 -12.780   4.721  17.436
   47   HG21  THR   5          3HG2      THR   5 -12.845   1.172  17.268
   48   HG22  THR   5          1HG2      THR   5 -11.449   1.079  16.195
   49   HG23  THR   5          2HG2      THR   5 -12.977   1.719  15.598
   50    H    TYR   6           H        TYR   6  -9.102   3.930  16.726
   51    HA   TYR   6           HA       TYR   6  -7.089   3.181  15.933
   52    HB2  TYR   6           1HB      TYR   6  -6.563   3.273  18.357
   53    HB3  TYR   6           2HB      TYR   6  -7.059   1.595  18.522
   54    HD1  TYR   6           HD2      TYR   6  -4.581   3.871  16.932
   55    HD2  TYR   6           HD1      TYR   6  -5.600  -0.217  17.773
   56    HE1  TYR   6           HE2      TYR   6  -2.320   3.158  16.206
   57    HE2  TYR   6           HE1      TYR   6  -3.340  -0.931  17.048
   58    HH   TYR   6           HH       TYR   6  -1.129  -0.023  16.769
   59    H    ASP   7           H        ASP   7  -7.402   1.982  14.135
   60    HA   ASP   7           HA       ASP   7  -7.147  -0.864  14.219
   61    HB2  ASP   7           1HB      ASP   7  -9.562  -0.643  14.820
   62    HB3  ASP   7           2HB      ASP   7  -9.840   0.227  13.316
   63    H    GLY   8           H        GLY   8  -5.716  -1.007  12.603
   64    HA2  GLY   8           1HA      GLY   8  -5.683   0.783  10.329
   65    HA3  GLY   8           2HA      GLY   8  -4.606  -0.578  10.614
   66    H    VAL   9           H        VAL   9  -4.921  -0.983   8.327
   67    HA   VAL   9           HA       VAL   9  -7.495  -2.359   7.681
   68    HB   VAL   9           HB       VAL   9  -5.457  -1.304   5.677
   69   HG11  VAL   9          1HG1      VAL   9  -6.994  -3.067   4.883
   70   HG12  VAL   9          2HG1      VAL   9  -7.369  -1.518   4.125
   71   HG13  VAL   9          3HG1      VAL   9  -8.375  -2.125   5.433
   72   HG21  VAL   9          3HG2      VAL   9  -7.971   0.026   6.764
   73   HG22  VAL   9          1HG2      VAL   9  -7.046   0.604   5.377
   74   HG23  VAL   9          2HG2      VAL   9  -6.316   0.595   6.980
   75    H    TYR  10           H        TYR  10  -7.447  -4.479   7.369
   76    HA   TYR  10           HA       TYR  10  -4.950  -5.968   7.621
   77    HB2  TYR  10           1HB      TYR  10  -7.890  -6.654   7.518
   78    HB3  TYR  10           2HB      TYR  10  -6.689  -7.930   7.395
   79    HD1  TYR  10           HD2      TYR  10  -7.315  -4.855   9.509
   80    HD2  TYR  10           HD1      TYR  10  -6.190  -9.003   9.450
   81    HE1  TYR  10           HE2      TYR  10  -7.105  -4.828  11.966
   82    HE2  TYR  10           HE1      TYR  10  -6.004  -8.981  11.915
   83    HH   TYR  10           HH       TYR  10  -5.654  -7.392  13.713
   84    H    VAL  11           H        VAL  11  -4.027  -7.179   6.091
   85    HA   VAL  11           HA       VAL  11  -4.904  -6.796   3.290
   86    HB   VAL  11           HB       VAL  11  -2.228  -7.851   4.293
   87   HG11  VAL  11          1HG1      VAL  11  -1.511  -7.266   1.984
   88   HG12  VAL  11          2HG1      VAL  11  -3.155  -6.773   1.598
   89   HG13  VAL  11          3HG1      VAL  11  -2.804  -8.461   1.956
   90   HG21  VAL  11          3HG2      VAL  11  -3.056  -5.043   3.477
   91   HG22  VAL  11          1HG2      VAL  11  -1.402  -5.555   3.788
   92   HG23  VAL  11          2HG2      VAL  11  -2.585  -5.551   5.092
   93    H    LEU  12           H        LEU  12  -5.509  -8.463   2.044
   94    HA   LEU  12           HA       LEU  12  -5.917 -11.048   3.340
   95    HB2  LEU  12           1HB      LEU  12  -7.802 -10.119   2.149
   96    HB3  LEU  12           2HB      LEU  12  -6.855  -9.933   0.686
   97    HG   LEU  12           HG       LEU  12  -6.650 -12.384   0.477
   98   HD11  LEU  12          1HD1      LEU  12  -8.123 -13.804   2.089
   99   HD12  LEU  12          2HD1      LEU  12  -8.080 -12.400   3.156
  100   HD13  LEU  12          3HD1      LEU  12  -6.584 -13.217   2.701
  101   HD21  LEU  12          3HD2      LEU  12  -8.610 -11.271  -0.516
  102   HD22  LEU  12          1HD2      LEU  12  -9.513 -11.519   0.980
  103   HD23  LEU  12          2HD2      LEU  12  -9.004 -12.905   0.016
  104    H    SER  13           H        SER  13  -4.464  -9.825   0.297
  105    HA   SER  13           HA       SER  13  -2.355 -11.832   0.445
  106    HB2  SER  13           1HB      SER  13  -4.361 -11.918  -1.837
  107    HB3  SER  13           2HB      SER  13  -2.896 -12.888  -1.703
  108    HG   SER  13           HG       SER  13  -3.826 -14.093  -0.221
  109    H    VAL  14           H        VAL  14  -0.700 -11.484  -0.974
  110    HA   VAL  14           HA       VAL  14  -0.751  -9.076  -2.690
  111    HB   VAL  14           HB       VAL  14   0.231  -8.261  -0.636
  112   HG11  VAL  14          1HG1      VAL  14   0.656 -10.425   0.441
  113   HG12  VAL  14          2HG1      VAL  14   2.095  -9.414   0.494
  114   HG13  VAL  14          3HG1      VAL  14   1.992 -10.729  -0.668
  115   HG21  VAL  14          3HG2      VAL  14   1.521  -7.872  -2.908
  116   HG22  VAL  14          1HG2      VAL  14   2.694  -9.012  -2.263
  117   HG23  VAL  14          2HG2      VAL  14   2.376  -7.507  -1.411
  118    H    LYS  15           H        LYS  15   0.266  -9.350  -4.576
  119    HA   LYS  15           HA       LYS  15   1.207 -11.964  -5.341
  120    HB2  LYS  15           1HB      LYS  15   1.291  -9.272  -6.748
  121    HB3  LYS  15           2HB      LYS  15   1.745 -10.799  -7.501
  122    HG2  LYS  15           1HG      LYS  15  -0.519 -11.680  -7.078
  123    HG3  LYS  15           2HG      LYS  15  -0.972 -10.162  -6.300
  124    HD2  LYS  15           1HD      LYS  15  -0.544  -8.948  -8.407
  125    HD3  LYS  15           2HD      LYS  15  -0.091 -10.462  -9.192
  126    HE2  LYS  15           1HE      LYS  15  -2.348 -11.361  -8.776
  127    HE3  LYS  15           2HE      LYS  15  -2.806  -9.855  -7.978
  128    HZ1  LYS  15           3HZ      LYS  15  -1.811  -9.994 -10.766
  129    HZ2  LYS  15           1HZ      LYS  15  -2.511  -8.661  -9.983
  130    HZ3  LYS  15           2HZ      LYS  15  -3.460 -10.018 -10.357
  131    H    GLU  16           H        GLU  16   3.354 -12.504  -5.992
  132    HA   GLU  16           HA       GLU  16   5.438 -11.169  -4.377
  133    HB2  GLU  16           1HB      GLU  16   5.443 -13.817  -5.854
  134    HB3  GLU  16           2HB      GLU  16   6.728 -13.228  -4.800
  135    HG2  GLU  16           1HG      GLU  16   3.854 -13.695  -3.904
  136    HG3  GLU  16           2HG      GLU  16   5.174 -14.830  -3.648
  137    H    ASP  17           H        ASP  17   4.321 -10.385  -7.201
  138    HA   ASP  17           HA       ASP  17   6.995  -9.828  -8.384
  139    HB2  ASP  17           1HB      ASP  17   4.518 -10.718  -9.896
  140    HB3  ASP  17           2HB      ASP  17   6.037 -10.198 -10.628
  141    H    VAL  18           H        VAL  18   5.547  -8.186  -6.665
  142    HA   VAL  18           HA       VAL  18   4.948  -5.936  -8.461
  143    HB   VAL  18           HB       VAL  18   2.978  -5.333  -6.896
  144   HG11  VAL  18          1HG1      VAL  18   2.736  -7.863  -8.555
  145   HG12  VAL  18          2HG1      VAL  18   2.644  -6.219  -9.182
  146   HG13  VAL  18          3HG1      VAL  18   1.409  -6.808  -8.073
  147   HG21  VAL  18          3HG2      VAL  18   3.652  -6.899  -5.087
  148   HG22  VAL  18          1HG2      VAL  18   3.317  -8.247  -6.156
  149   HG23  VAL  18          2HG2      VAL  18   2.004  -7.198  -5.632
  150    HA   PRO  19           HA       PRO  19   7.534  -3.462  -5.837
  151    HB2  PRO  19           1HB      PRO  19   5.158  -1.628  -5.471
  152    HB3  PRO  19           2HB      PRO  19   6.840  -1.225  -5.886
  153    HG2  PRO  19           1HG      PRO  19   4.915  -1.271  -7.745
  154    HG3  PRO  19           2HG      PRO  19   6.571  -1.786  -8.114
  155    HD2  PRO  19           1HD      PRO  19   4.123  -3.475  -7.815
  156    HD3  PRO  19           2HD      PRO  19   5.617  -3.796  -8.708
  157    H    ALA  20           H        ALA  20   4.276  -4.208  -4.690
  158    HA   ALA  20           HA       ALA  20   4.591  -3.515  -1.969
  159    HB1  ALA  20           3HB      ALA  20   2.655  -4.995  -1.592
  160    HB2  ALA  20           1HB      ALA  20   2.840  -5.651  -3.211
  161    HB3  ALA  20           2HB      ALA  20   2.406  -3.963  -2.991
  162    H    ALA  21           H        ALA  21   5.730  -6.188  -3.827
  163    HA   ALA  21           HA       ALA  21   6.130  -8.109  -1.794
  164    HB1  ALA  21           3HB      ALA  21   7.692  -7.659  -4.358
  165    HB2  ALA  21           1HB      ALA  21   6.233  -8.638  -4.206
  166    HB3  ALA  21           2HB      ALA  21   7.712  -9.129  -3.381
  167    H    GLY  22           H        GLY  22   7.219  -7.580   0.022
  168    HA2  GLY  22           1HA      GLY  22   9.402  -7.508   1.075
  169    HA3  GLY  22           2HA      GLY  22   9.962  -6.432  -0.197
  170    H    ILE  23           H        ILE  23   6.918  -5.402   0.421
  171    HA   ILE  23           HA       ILE  23   7.759  -3.469   2.532
  172    HB   ILE  23           HB       ILE  23   5.986  -3.042   0.100
  173   HG12  ILE  23          1HG1      ILE  23   7.783  -1.207  -0.293
  174   HG13  ILE  23          2HG1      ILE  23   8.745  -2.007   0.924
  175   HG21  ILE  23          1HG2      ILE  23   6.373  -1.363   2.608
  176   HG22  ILE  23          2HG2      ILE  23   4.900  -1.707   1.728
  177   HG23  ILE  23          3HG2      ILE  23   6.052  -0.574   1.063
  178   HD11  ILE  23          3HD1      ILE  23   7.815  -3.910  -1.125
  179   HD12  ILE  23          1HD1      ILE  23   9.444  -3.568  -0.554
  180   HD13  ILE  23          2HD1      ILE  23   8.720  -2.568  -1.813
  181    H    LEU  24           H        LEU  24   4.922  -5.047   1.069
  182    HA   LEU  24           HA       LEU  24   3.534  -4.891   3.696
  183    HB2  LEU  24           1HB      LEU  24   2.587  -4.788   0.841
  184    HB3  LEU  24           2HB      LEU  24   1.465  -5.347   2.075
  185    HG   LEU  24           HG       LEU  24   2.942  -2.715   2.444
  186   HD11  LEU  24          1HD1      LEU  24   1.881  -2.518   0.255
  187   HD12  LEU  24          2HD1      LEU  24   0.994  -1.554   1.426
  188   HD13  LEU  24          3HD1      LEU  24   0.358  -3.108   0.915
  189   HD21  LEU  24          3HD2      LEU  24   1.686  -3.707   4.373
  190   HD22  LEU  24          1HD2      LEU  24   0.221  -3.669   3.399
  191   HD23  LEU  24          2HD2      LEU  24   1.029  -2.170   3.861
  192    H    HIS  25           H        HIS  25   2.412  -6.643   4.453
  193    HA   HIS  25           HA       HIS  25   2.745  -9.236   3.104
  194    HB2  HIS  25           1HB      HIS  25   3.695  -8.700   5.936
  195    HB3  HIS  25           2HB      HIS  25   3.727 -10.252   5.095
  196    HD1  HIS  25           HD1      HIS  25   5.079 -10.010   2.612
  197    HD2  HIS  25           HD2      HIS  25   6.099  -7.382   5.683
  198    HE1  HIS  25           HE1      HIS  25   7.368  -9.101   2.046
  199    HE2  HIS  25           HE2      HIS  25   8.012  -7.495   3.904
  200    H    ALA  26           H        ALA  26   1.455 -10.902   4.007
  201    HA   ALA  26           HA       ALA  26  -1.184 -10.138   4.575
  202    HB1  ALA  26           3HB      ALA  26   0.180 -12.788   5.140
  203    HB2  ALA  26           1HB      ALA  26  -0.570 -12.327   3.611
  204    HB3  ALA  26           2HB      ALA  26  -1.562 -12.524   5.056
  205    H    GLY  27           H        GLY  27  -2.100  -9.435   6.410
  206    HA2  GLY  27           1HA      GLY  27  -2.659  -9.601   8.718
  207    HA3  GLY  27           2HA      GLY  27  -1.074 -10.286   9.058
  208    H    ASP  28           H        ASP  28  -0.435  -7.820   6.963
  209    HA   ASP  28           HA       ASP  28   0.570  -6.089   9.050
  210    HB2  ASP  28           1HB      ASP  28   0.451  -5.791   6.032
  211    HB3  ASP  28           2HB      ASP  28   1.272  -4.662   7.102
  212    H    LEU  29           H        LEU  29  -0.193  -4.100   9.685
  213    HA   LEU  29           HA       LEU  29  -2.895  -3.290   8.733
  214    HB2  LEU  29           1HB      LEU  29  -1.685  -2.659  11.441
  215    HB3  LEU  29           2HB      LEU  29  -3.378  -2.535  10.952
  216    HG   LEU  29           HG       LEU  29  -1.829  -5.107  11.224
  217   HD11  LEU  29          1HD1      LEU  29  -4.035  -3.934  12.926
  218   HD12  LEU  29          2HD1      LEU  29  -2.335  -4.043  13.382
  219   HD13  LEU  29          3HD1      LEU  29  -3.283  -5.511  13.162
  220   HD21  LEU  29          3HD2      LEU  29  -4.686  -4.526  10.402
  221   HD22  LEU  29          1HD2      LEU  29  -4.185  -6.114  10.980
  222   HD23  LEU  29          2HD2      LEU  29  -3.485  -5.456   9.516
  223    H    ILE  30           H        ILE  30  -2.892  -1.443   7.579
  224    HA   ILE  30           HA       ILE  30  -0.646   0.422   7.804
  225    HB   ILE  30           HB       ILE  30  -3.026   0.482   5.925
  226   HG12  ILE  30          1HG1      ILE  30  -0.179  -0.518   5.486
  227   HG13  ILE  30          2HG1      ILE  30  -1.588  -1.561   5.653
  228   HG21  ILE  30          1HG2      ILE  30  -0.343   1.936   5.890
  229   HG22  ILE  30          2HG2      ILE  30  -1.887   2.685   6.278
  230   HG23  ILE  30          3HG2      ILE  30  -1.591   2.078   4.657
  231   HD11  ILE  30          3HD1      ILE  30  -1.115  -1.291   3.298
  232   HD12  ILE  30          1HD1      ILE  30  -1.080   0.455   3.463
  233   HD13  ILE  30          2HD1      ILE  30  -2.595  -0.417   3.664
  234    H    THR  31           H        THR  31  -0.819   2.391   8.748
  235    HA   THR  31           HA       THR  31  -3.462   3.207   9.889
  236    HB   THR  31           HB       THR  31  -2.455   3.762  11.946
  237    HG1  THR  31           HG1      THR  31  -0.743   4.958  10.997
  238   HG21  THR  31          3HG2      THR  31  -0.641   1.497  11.048
  239   HG22  THR  31          1HG2      THR  31  -2.348   1.243  11.435
  240   HG23  THR  31          2HG2      THR  31  -1.240   1.816  12.675
  241    H    GLU  32           H        GLU  32  -0.565   4.170   8.189
  242    HA   GLU  32           HA       GLU  32  -1.767   6.783   7.659
  243    HB2  GLU  32           1HB      GLU  32  -0.457   7.032   9.775
  244    HB3  GLU  32           2HB      GLU  32   0.967   6.544   8.895
  245    HG2  GLU  32           1HG      GLU  32   0.796   8.478   7.416
  246    HG3  GLU  32           2HG      GLU  32  -0.723   8.948   8.165
  247    H    ILE  33           H        ILE  33  -1.027   7.755   5.795
  248    HA   ILE  33           HA       ILE  33   1.056   6.360   4.204
  249    HB   ILE  33           HB       ILE  33  -1.695   7.169   3.196
  250   HG12  ILE  33          1HG1      ILE  33  -1.407   4.436   2.730
  251   HG13  ILE  33          2HG1      ILE  33  -0.576   4.573   4.240
  252   HG21  ILE  33          1HG2      ILE  33   0.623   5.857   1.747
  253   HG22  ILE  33          2HG2      ILE  33   0.046   7.504   1.486
  254   HG23  ILE  33          3HG2      ILE  33  -0.981   6.147   1.076
  255   HD11  ILE  33          3HD1      ILE  33  -2.561   5.665   5.232
  256   HD12  ILE  33          1HD1      ILE  33  -2.945   4.070   4.590
  257   HD13  ILE  33          2HD1      ILE  33  -3.402   5.504   3.690
  258    H    ASP  34           H        ASP  34   2.356   7.715   3.095
  259    HA   ASP  34           HA       ASP  34   3.490   9.674   2.762
  260    HB2  ASP  34           1HB      ASP  34   0.743  10.310   1.645
  261    HB3  ASP  34           2HB      ASP  34   2.206  11.224   1.278
  262    H    GLY  35           H        GLY  35   1.818   9.507   5.346
  263    HA2  GLY  35           1HA      GLY  35   1.521  10.821   7.186
  264    HA3  GLY  35           2HA      GLY  35   2.570  12.005   6.424
  265    H    GLN  36           H        GLN  36  -0.213  11.051   4.632
  266    HA   GLN  36           HA       GLN  36  -1.309  13.742   4.789
  267    HB2  GLN  36           1HB      GLN  36  -2.637  13.117   2.934
  268    HB3  GLN  36           2HB      GLN  36  -1.099  12.296   2.700
  269    HG2  GLN  36           1HG      GLN  36  -2.267  10.261   3.884
  270    HG3  GLN  36           2HG      GLN  36  -3.760  11.117   3.549
  271   HE21  GLN  36          2HE2      GLN  36  -3.384   8.630   2.344
  272   HE22  GLN  36          1HE2      GLN  36  -3.112   8.841   0.682
  273    H    SER  37           H        SER  37  -3.683  14.037   5.003
  274    HA   SER  37           HA       SER  37  -4.647  12.828   7.467
  275    HB2  SER  37           1HB      SER  37  -5.859  14.932   5.651
  276    HB3  SER  37           2HB      SER  37  -6.460  14.477   7.247
  277    HG   SER  37           HG       SER  37  -4.015  14.944   7.719
  278    H    PHE  38           H        PHE  38  -6.829  12.023   7.588
  279    HA   PHE  38           HA       PHE  38  -8.371  11.212   5.347
  280    HB2  PHE  38           1HB      PHE  38  -7.897   8.624   5.868
  281    HB3  PHE  38           2HB      PHE  38  -6.877   9.496   4.738
  282    HD1  PHE  38           HD1      PHE  38  -7.184   8.730   8.412
  283    HD2  PHE  38           HD2      PHE  38  -4.525   9.493   5.128
  284    HE1  PHE  38           HE1      PHE  38  -5.239   8.270   9.873
  285    HE2  PHE  38           HE2      PHE  38  -2.584   9.048   6.571
  286    HZ   PHE  38           HZ       PHE  38  -2.945   8.424   8.968
  287    H    LYS  39           H        LYS  39  -9.793   9.151   6.221
  288    HA   LYS  39           HA       LYS  39 -10.513   9.598   9.049
  289    HB2  LYS  39           1HB      LYS  39 -11.902  11.141   7.637
  290    HB3  LYS  39           2HB      LYS  39 -12.542   9.736   6.787
  291    HG2  LYS  39           1HG      LYS  39 -13.447   8.842   8.896
  292    HG3  LYS  39           2HG      LYS  39 -12.753  10.199   9.784
  293    HD2  LYS  39           1HD      LYS  39 -14.165  11.760   8.476
  294    HD3  LYS  39           2HD      LYS  39 -14.874  10.389   7.618
  295    HE2  LYS  39           1HE      LYS  39 -14.999  10.843  10.618
  296    HE3  LYS  39           2HE      LYS  39 -16.328  11.096   9.486
  297    HZ1  LYS  39           3HZ      LYS  39 -16.818   8.974   9.930
  298    HZ2  LYS  39           1HZ      LYS  39 -15.286   8.641  10.581
  299    HZ3  LYS  39           2HZ      LYS  39 -15.523   8.591   8.898
  300    H    SER  40           H        SER  40 -11.946   7.885   6.238
  301    HA   SER  40           HA       SER  40 -12.139   5.428   7.882
  302    HB2  SER  40           1HB      SER  40 -13.388   6.086   5.195
  303    HB3  SER  40           2HB      SER  40 -13.696   4.649   6.162
  304    HG   SER  40           HG       SER  40 -14.071   7.295   7.109
  305    H    SER  41           H        SER  41 -11.736   3.378   6.755
  306    HA   SER  41           HA       SER  41  -9.094   3.222   5.764
  307    HB2  SER  41           1HB      SER  41  -9.667   0.874   5.224
  308    HB3  SER  41           2HB      SER  41 -10.214   1.317   6.840
  309    HG   SER  41           HG       SER  41 -12.283   1.591   6.019
  310    H    GLN  42           H        GLN  42 -12.193   3.635   4.234
  311    HA   GLN  42           HA       GLN  42 -11.485   2.957   1.573
  312    HB2  GLN  42           1HB      GLN  42 -13.825   3.237   2.425
  313    HB3  GLN  42           2HB      GLN  42 -13.564   4.978   2.486
  314    HG2  GLN  42           1HG      GLN  42 -13.129   5.014   0.054
  315    HG3  GLN  42           2HG      GLN  42 -13.330   3.266  -0.016
  316   HE21  GLN  42          2HE2      GLN  42 -14.972   5.051  -1.543
  317   HE22  GLN  42          1HE2      GLN  42 -16.559   4.943  -0.947
  318    H    GLU  43           H        GLU  43 -11.041   5.866   3.489
  319    HA   GLU  43           HA       GLU  43 -10.560   7.724   1.429
  320    HB2  GLU  43           1HB      GLU  43  -9.323   7.615   4.194
  321    HB3  GLU  43           2HB      GLU  43  -9.344   9.028   3.148
  322    HG2  GLU  43           1HG      GLU  43 -11.822   7.613   4.183
  323    HG3  GLU  43           2HG      GLU  43 -11.145   9.077   4.881
  324    H    PHE  44           H        PHE  44  -8.585   5.167   2.731
  325    HA   PHE  44           HA       PHE  44  -6.091   6.177   1.744
  326    HB2  PHE  44           1HB      PHE  44  -6.008   4.600   3.537
  327    HB3  PHE  44           2HB      PHE  44  -7.034   3.471   2.704
  328    HD1  PHE  44           HD1      PHE  44  -4.096   5.313   1.272
  329    HD2  PHE  44           HD2      PHE  44  -5.606   1.509   2.588
  330    HE1  PHE  44           HE1      PHE  44  -2.137   4.204   0.294
  331    HE2  PHE  44           HE2      PHE  44  -3.622   0.401   1.608
  332    HZ   PHE  44           HZ       PHE  44  -1.872   1.764   0.488
  333    H    ILE  45           H        ILE  45  -8.339   3.647   0.653
  334    HA   ILE  45           HA       ILE  45  -6.980   2.904  -1.681
  335    HB   ILE  45           HB       ILE  45  -9.919   2.819  -0.944
  336   HG12  ILE  45          1HG1      ILE  45  -9.475   0.354  -0.856
  337   HG13  ILE  45          2HG1      ILE  45  -7.794   0.653  -1.273
  338   HG21  ILE  45          1HG2      ILE  45 -10.032   2.938  -3.356
  339   HG22  ILE  45          2HG2      ILE  45 -10.135   1.225  -2.983
  340   HG23  ILE  45          3HG2      ILE  45  -8.608   1.909  -3.549
  341   HD11  ILE  45          3HD1      ILE  45  -8.399   0.332   1.229
  342   HD12  ILE  45          1HD1      ILE  45  -9.043   1.961   1.149
  343   HD13  ILE  45          2HD1      ILE  45  -7.338   1.672   0.813
  344    H    ASP  46           H        ASP  46  -8.966   5.622  -0.927
  345    HA   ASP  46           HA       ASP  46  -9.516   6.447  -3.625
  346    HB2  ASP  46           1HB      ASP  46  -9.514   8.016  -1.033
  347    HB3  ASP  46           2HB      ASP  46 -10.168   8.592  -2.563
  348    H    TYR  47           H        TYR  47  -6.888   7.058  -1.344
  349    HA   TYR  47           HA       TYR  47  -5.751   9.244  -2.793
  350    HB2  TYR  47           1HB      TYR  47  -5.259   8.812  -0.402
  351    HB3  TYR  47           2HB      TYR  47  -4.421   7.335  -0.844
  352    HD1  TYR  47           HD2      TYR  47  -4.444  11.036  -1.342
  353    HD2  TYR  47           HD1      TYR  47  -2.137   7.421  -1.652
  354    HE1  TYR  47           HE2      TYR  47  -2.425  12.368  -1.883
  355    HE2  TYR  47           HE1      TYR  47  -0.126   8.756  -2.195
  356    HH   TYR  47           HH       TYR  47   0.743  10.822  -2.266
  357    H    ILE  48           H        ILE  48  -4.818   5.810  -2.589
  358    HA   ILE  48           HA       ILE  48  -2.745   6.008  -4.546
  359    HB   ILE  48           HB       ILE  48  -3.464   3.281  -4.540
  360   HG12  ILE  48          1HG1      ILE  48  -3.980   4.318  -1.720
  361   HG13  ILE  48          2HG1      ILE  48  -5.260   3.916  -2.857
  362   HG21  ILE  48          1HG2      ILE  48  -1.662   4.718  -2.554
  363   HG22  ILE  48          2HG2      ILE  48  -1.191   4.153  -4.156
  364   HG23  ILE  48          3HG2      ILE  48  -1.625   2.990  -2.905
  365   HD11  ILE  48          3HD1      ILE  48  -4.469   1.619  -3.010
  366   HD12  ILE  48          1HD1      ILE  48  -4.745   2.034  -1.317
  367   HD13  ILE  48          2HD1      ILE  48  -3.106   1.990  -1.957
  368    H    HIS  49           H        HIS  49  -6.133   5.118  -4.717
  369    HA   HIS  49           HA       HIS  49  -6.146   4.226  -7.370
  370    HB2  HIS  49           1HB      HIS  49  -8.036   3.812  -5.884
  371    HB3  HIS  49           2HB      HIS  49  -8.296   5.542  -5.704
  372    HD1  HIS  49           HD1      HIS  49  -8.512   2.813  -8.340
  373    HD2  HIS  49           HD2      HIS  49  -9.954   6.659  -7.623
  374    HE1  HIS  49           HE1      HIS  49 -10.212   3.293 -10.150
  375    HE2  HIS  49           HE2      HIS  49 -11.105   5.631  -9.734
  376    H    SER  50           H        SER  50  -5.579   7.288  -6.193
  377    HA   SER  50           HA       SER  50  -6.354   8.579  -8.707
  378    HB2  SER  50           1HB      SER  50  -6.970   9.571  -6.490
  379    HB3  SER  50           2HB      SER  50  -5.253   9.770  -6.143
  380    HG   SER  50           HG       SER  50  -5.648  10.712  -8.556
  381    H    LYS  51           H        LYS  51  -4.254  10.455  -8.046
  382    HA   LYS  51           HA       LYS  51  -2.248  11.118  -8.975
  383    HB2  LYS  51           1HB      LYS  51  -1.438   8.426  -7.845
  384    HB3  LYS  51           2HB      LYS  51  -0.323   9.706  -8.312
  385    HG2  LYS  51           1HG      LYS  51  -2.458   9.941  -6.160
  386    HG3  LYS  51           2HG      LYS  51  -0.746   9.659  -5.859
  387    HD2  LYS  51           1HD      LYS  51  -0.389  11.898  -7.252
  388    HD3  LYS  51           2HD      LYS  51  -2.091  12.191  -6.897
  389    HE2  LYS  51           1HE      LYS  51  -0.744  13.282  -5.202
  390    HE3  LYS  51           2HE      LYS  51  -1.565  11.906  -4.458
  391    HZ1  LYS  51           3HZ      LYS  51   0.380  10.631  -4.528
  392    HZ2  LYS  51           1HZ      LYS  51   0.890  12.158  -3.992
  393    HZ3  LYS  51           2HZ      LYS  51   1.151  11.692  -5.605
  394    H    LYS  52           H        LYS  52  -0.226   9.850 -10.268
  395    HA   LYS  52           HA       LYS  52  -1.484   8.289 -12.457
  396    HB2  LYS  52           1HB      LYS  52  -0.130   9.583 -14.064
  397    HB3  LYS  52           2HB      LYS  52  -1.295  10.584 -13.204
  398    HG2  LYS  52           1HG      LYS  52   0.454  11.394 -11.687
  399    HG3  LYS  52           2HG      LYS  52   1.643  10.344 -12.449
  400    HD2  LYS  52           1HD      LYS  52   1.923  12.569 -13.366
  401    HD3  LYS  52           2HD      LYS  52   1.244  11.543 -14.625
  402    HE2  LYS  52           1HE      LYS  52  -0.931  12.548 -14.404
  403    HE3  LYS  52           2HE      LYS  52  -0.524  13.275 -12.845
  404    HZ1  LYS  52           3HZ      LYS  52   0.183  15.043 -13.909
  405    HZ2  LYS  52           1HZ      LYS  52  -0.207  14.334 -15.401
  406    HZ3  LYS  52           2HZ      LYS  52   1.342  14.117 -14.738
  407    H    VAL  53           H        VAL  53  -0.081   6.969 -13.612
  408    HA   VAL  53           HA       VAL  53   1.713   5.495 -12.047
  409    HB   VAL  53           HB       VAL  53   1.642   5.585 -15.084
  410   HG11  VAL  53          1HG1      VAL  53   2.381   3.215 -14.860
  411   HG12  VAL  53          2HG1      VAL  53   2.464   3.423 -13.113
  412   HG13  VAL  53          3HG1      VAL  53   3.555   4.325 -14.160
  413   HG21  VAL  53          3HG2      VAL  53  -0.026   3.738 -14.863
  414   HG22  VAL  53          1HG2      VAL  53  -0.628   5.257 -14.207
  415   HG23  VAL  53          2HG2      VAL  53  -0.052   3.993 -13.118
  416    H    GLY  54           H        GLY  54   3.901   5.414 -11.887
  417    HA2  GLY  54           1HA      GLY  54   6.154   5.923 -12.532
  418    HA3  GLY  54           2HA      GLY  54   5.594   7.391 -13.329
  419    H    ASP  55           H        ASP  55   3.786   7.767 -10.867
  420    HA   ASP  55           HA       ASP  55   5.401   9.633  -9.500
  421    HB2  ASP  55           1HB      ASP  55   2.789   8.287  -8.732
  422    HB3  ASP  55           2HB      ASP  55   3.479   9.664  -7.874
  423    H    THR  56           H        THR  56   5.193   9.359  -6.863
  424    HA   THR  56           HA       THR  56   6.155   6.730  -5.980
  425    HB   THR  56           HB       THR  56   8.249   7.726  -6.624
  426    HG1  THR  56           HG1      THR  56   7.975   6.819  -4.446
  427   HG21  THR  56          3HG2      THR  56   8.926   9.967  -5.805
  428   HG22  THR  56          1HG2      THR  56   7.328  10.182  -5.095
  429   HG23  THR  56          2HG2      THR  56   7.508  10.058  -6.844
  430    H    VAL  57           H        VAL  57   5.867   6.408  -3.819
  431    HA   VAL  57           HA       VAL  57   4.781   8.590  -2.134
  432    HB   VAL  57           HB       VAL  57   2.935   7.056  -1.395
  433   HG11  VAL  57          1HG1      VAL  57   2.957   7.724  -4.348
  434   HG12  VAL  57          2HG1      VAL  57   2.527   8.831  -3.059
  435   HG13  VAL  57          3HG1      VAL  57   1.528   7.415  -3.382
  436   HG21  VAL  57          3HG2      VAL  57   3.814   5.413  -3.803
  437   HG22  VAL  57          1HG2      VAL  57   2.390   5.111  -2.811
  438   HG23  VAL  57          2HG2      VAL  57   4.000   4.920  -2.121
  439    H    LYS  58           H        LYS  58   4.528   7.959   0.102
  440    HA   LYS  58           HA       LYS  58   6.581   6.015   1.035
  441    HB2  LYS  58           1HB      LYS  58   7.162   8.441   1.404
  442    HB3  LYS  58           2HB      LYS  58   5.711   8.604   2.389
  443    HG2  LYS  58           1HG      LYS  58   6.543   6.875   3.943
  444    HG3  LYS  58           2HG      LYS  58   7.974   6.644   2.936
  445    HD2  LYS  58           1HD      LYS  58   8.618   9.005   3.329
  446    HD3  LYS  58           2HD      LYS  58   7.203   9.210   4.360
  447    HE2  LYS  58           1HE      LYS  58   9.450   7.226   4.846
  448    HE3  LYS  58           2HE      LYS  58   9.228   8.750   5.705
  449    HZ1  LYS  58           3HZ      LYS  58   6.797   7.480   5.840
  450    HZ2  LYS  58           1HZ      LYS  58   7.928   7.642   7.094
  451    HZ3  LYS  58           2HZ      LYS  58   7.939   6.252   6.119
  452    H    ILE  59           H        ILE  59   5.643   4.366   2.044
  453    HA   ILE  59           HA       ILE  59   2.937   4.655   3.212
  454    HB   ILE  59           HB       ILE  59   3.706   2.840   1.383
  455   HG12  ILE  59          1HG1      ILE  59   1.932   2.179   3.769
  456   HG13  ILE  59          2HG1      ILE  59   1.416   3.073   2.341
  457   HG21  ILE  59          1HG2      ILE  59   4.185   1.253   3.925
  458   HG22  ILE  59          2HG2      ILE  59   5.511   1.929   2.991
  459   HG23  ILE  59          3HG2      ILE  59   4.440   0.736   2.272
  460   HD11  ILE  59          3HD1      ILE  59   2.135   1.005   0.985
  461   HD12  ILE  59          1HD1      ILE  59   0.691   0.856   1.970
  462   HD13  ILE  59          2HD1      ILE  59   2.207   0.176   2.543
  463    H    LYS  60           H        LYS  60   2.458   3.910   5.257
  464    HA   LYS  60           HA       LYS  60   4.699   3.161   7.040
  465    HB2  LYS  60           1HB      LYS  60   4.184   5.567   7.286
  466    HB3  LYS  60           2HB      LYS  60   2.525   5.168   7.665
  467    HG2  LYS  60           1HG      LYS  60   3.162   3.963   9.657
  468    HG3  LYS  60           2HG      LYS  60   4.877   4.100   9.265
  469    HD2  LYS  60           1HD      LYS  60   3.052   6.449   9.868
  470    HD3  LYS  60           2HD      LYS  60   4.138   5.716  11.024
  471    HE2  LYS  60           1HE      LYS  60   6.016   6.236   9.256
  472    HE3  LYS  60           2HE      LYS  60   4.835   7.366   8.584
  473    HZ1  LYS  60           3HZ      LYS  60   6.089   7.365  11.232
  474    HZ2  LYS  60           1HZ      LYS  60   4.591   8.122  10.993
  475    HZ3  LYS  60           2HZ      LYS  60   5.946   8.627  10.102
  476    H    TYR  61           H        TYR  61   4.259   1.222   7.775
  477    HA   TYR  61           HA       TYR  61   1.503   0.496   8.531
  478    HB2  TYR  61           1HB      TYR  61   1.591  -1.542   7.292
  479    HB3  TYR  61           2HB      TYR  61   2.158  -0.303   6.197
  480    HD1  TYR  61           HD2      TYR  61   4.645   0.011   5.815
  481    HD2  TYR  61           HD1      TYR  61   3.106  -3.347   7.974
  482    HE1  TYR  61           HE2      TYR  61   6.788  -1.176   5.464
  483    HE2  TYR  61           HE1      TYR  61   5.246  -4.544   7.637
  484    HH   TYR  61           HH       TYR  61   7.658  -3.417   5.453
  485    H    LYS  62           H        LYS  62   1.430  -1.475   9.802
  486    HA   LYS  62           HA       LYS  62   3.758  -1.713  11.653
  487    HB2  LYS  62           1HB      LYS  62   0.801  -1.831  12.320
  488    HB3  LYS  62           2HB      LYS  62   2.126  -2.102  13.459
  489    HG2  LYS  62           1HG      LYS  62   2.965   0.199  12.984
  490    HG3  LYS  62           2HG      LYS  62   1.589   0.458  11.921
  491    HD2  LYS  62           1HD      LYS  62   0.047   0.098  13.806
  492    HD3  LYS  62           2HD      LYS  62   1.414  -0.196  14.878
  493    HE2  LYS  62           1HE      LYS  62   1.019   2.403  13.347
  494    HE3  LYS  62           2HE      LYS  62   0.525   2.159  15.023
  495    HZ1  LYS  62           3HZ      LYS  62   3.160   1.262  14.731
  496    HZ2  LYS  62           1HZ      LYS  62   2.587   2.560  15.661
  497    HZ3  LYS  62           2HZ      LYS  62   3.058   2.814  14.049
  498    H    HIS  63           H        HIS  63   4.387  -3.702  12.221
  499    HA   HIS  63           HA       HIS  63   2.791  -6.051  11.369
  500    HB2  HIS  63           1HB      HIS  63   4.622  -5.619   9.733
  501    HB3  HIS  63           2HB      HIS  63   5.803  -5.759  11.036
  502    HD1  HIS  63           HD1      HIS  63   2.854  -7.836   9.763
  503    HD2  HIS  63           HD2      HIS  63   6.727  -8.364  11.218
  504    HE1  HIS  63           HE1      HIS  63   3.295 -10.325   9.738
  505    HE2  HIS  63           HE2      HIS  63   5.649 -10.672  10.620
  506    H    GLY  64           H        GLY  64   2.135  -6.680  13.352
  507    HA2  GLY  64           1HA      GLY  64   2.241  -7.578  15.465
  508    HA3  GLY  64           2HA      GLY  64   3.883  -8.064  15.063
  509    H    ASN  65           H        ASN  65   5.514  -7.110  16.152
  510    HA   ASN  65           HA       ASN  65   4.943  -4.666  17.766
  511    HB2  ASN  65           1HB      ASN  65   5.411  -6.769  19.045
  512    HB3  ASN  65           2HB      ASN  65   7.009  -6.823  18.309
  513   HD21  ASN  65          2HD2      ASN  65   5.134  -4.018  19.583
  514   HD22  ASN  65          1HD2      ASN  65   6.333  -3.530  20.682
  515    H    LYS  66           H        LYS  66   6.168  -5.235  14.931
  516    HA   LYS  66           HA       LYS  66   8.475  -3.358  15.252
  517    HB2  LYS  66           1HB      LYS  66   9.233  -5.696  14.846
  518    HB3  LYS  66           2HB      LYS  66   8.320  -5.703  13.340
  519    HG2  LYS  66           1HG      LYS  66   9.693  -3.871  12.446
  520    HG3  LYS  66           2HG      LYS  66  10.535  -3.709  13.985
  521    HD2  LYS  66           1HD      LYS  66  11.917  -4.964  12.405
  522    HD3  LYS  66           2HD      LYS  66  11.422  -6.004  13.738
  523    HE2  LYS  66           1HE      LYS  66   9.706  -5.982  11.242
  524    HE3  LYS  66           2HE      LYS  66  11.217  -6.891  11.229
  525    HZ1  LYS  66           3HZ      LYS  66   8.764  -7.526  12.484
  526    HZ2  LYS  66           1HZ      LYS  66  10.012  -7.473  13.630
  527    HZ3  LYS  66           2HZ      LYS  66  10.148  -8.489  12.276
  528    H    ASN  67           H        ASN  67   7.954  -1.513  14.284
  529    HA   ASN  67           HA       ASN  67   6.156  -1.467  11.943
  530    HB2  ASN  67           1HB      ASN  67   7.155   0.828  13.664
  531    HB3  ASN  67           2HB      ASN  67   5.892   0.896  12.434
  532   HD21  ASN  67          2HD2      ASN  67   5.441   1.591  15.205
  533   HD22  ASN  67          1HD2      ASN  67   4.346   0.462  15.841
  534    H    GLU  68           H        GLU  68   6.873  -0.859   9.970
  535    HA   GLU  68           HA       GLU  68   9.583   0.283   9.643
  536    HB2  GLU  68           1HB      GLU  68   8.379  -2.037   8.095
  537    HB3  GLU  68           2HB      GLU  68   9.923  -1.258   7.742
  538    HG2  GLU  68           1HG      GLU  68  10.749  -1.904   9.992
  539    HG3  GLU  68           2HG      GLU  68   9.214  -2.704  10.316
  540    H    GLU  69           H        GLU  69   9.842   1.129   7.441
  541    HA   GLU  69           HA       GLU  69   7.361   1.992   6.083
  542    HB2  GLU  69           1HB      GLU  69   8.137   4.336   6.017
  543    HB3  GLU  69           2HB      GLU  69   7.831   3.795   7.662
  544    HG2  GLU  69           1HG      GLU  69  10.598   3.880   6.387
  545    HG3  GLU  69           2HG      GLU  69   9.949   5.137   7.427
  546    H    ALA  70           H        ALA  70   7.544   2.237   3.958
  547    HA   ALA  70           HA       ALA  70  10.162   2.276   2.616
  548    HB1  ALA  70           3HB      ALA  70   9.623  -0.122   2.992
  549    HB2  ALA  70           1HB      ALA  70   9.669   0.301   1.278
  550    HB3  ALA  70           2HB      ALA  70   8.127   0.105   2.100
  551    H    SER  71           H        SER  71  10.051   2.783   0.451
  552    HA   SER  71           HA       SER  71   7.522   4.082  -0.478
  553    HB2  SER  71           1HB      SER  71  10.365   4.889  -1.171
  554    HB3  SER  71           2HB      SER  71   8.880   5.695  -1.690
  555    HG   SER  71           HG       SER  71   8.573   5.613   0.817
  556    H    ILE  72           H        ILE  72   6.805   3.625  -2.493
  557    HA   ILE  72           HA       ILE  72   8.408   1.854  -4.256
  558    HB   ILE  72           HB       ILE  72   6.114   0.668  -4.654
  559   HG12  ILE  72          1HG1      ILE  72   4.994   2.537  -3.047
  560   HG13  ILE  72          2HG1      ILE  72   4.353   0.907  -3.134
  561   HG21  ILE  72          1HG2      ILE  72   7.794   0.271  -2.174
  562   HG22  ILE  72          2HG2      ILE  72   7.943  -0.549  -3.727
  563   HG23  ILE  72          3HG2      ILE  72   6.552  -0.874  -2.690
  564   HD11  ILE  72          3HD1      ILE  72   4.720   1.955  -0.788
  565   HD12  ILE  72          1HD1      ILE  72   6.426   1.606  -1.049
  566   HD13  ILE  72          2HD1      ILE  72   5.255   0.297  -1.061
  567    H    LYS  73           H        LYS  73   8.015   2.040  -6.404
  568    HA   LYS  73           HA       LYS  73   6.832   4.516  -7.286
  569    HB2  LYS  73           1HB      LYS  73   8.964   3.645  -8.207
  570    HB3  LYS  73           2HB      LYS  73   8.098   2.246  -8.835
  571    HG2  LYS  73           1HG      LYS  73   6.764   3.654 -10.318
  572    HG3  LYS  73           2HG      LYS  73   7.417   5.119  -9.588
  573    HD2  LYS  73           1HD      LYS  73   8.528   4.688 -11.722
  574    HD3  LYS  73           2HD      LYS  73   9.678   4.502 -10.403
  575    HE2  LYS  73           1HE      LYS  73   9.672   2.112 -10.600
  576    HE3  LYS  73           2HE      LYS  73   8.187   2.111 -11.556
  577    HZ1  LYS  73           3HZ      LYS  73  10.387   3.639 -12.646
  578    HZ2  LYS  73           1HZ      LYS  73   9.291   2.600 -13.419
  579    HZ3  LYS  73           2HZ      LYS  73  10.627   1.958 -12.587
  580    H    LEU  74           H        LEU  74   4.947   4.733  -8.409
  581    HA   LEU  74           HA       LEU  74   2.958   2.722  -8.150
  582    HB2  LEU  74           1HB      LEU  74   3.149   5.385  -9.556
  583    HB3  LEU  74           2HB      LEU  74   1.732   4.378  -9.774
  584    HG   LEU  74           HG       LEU  74   1.444   6.059  -7.950
  585   HD11  LEU  74          1HD1      LEU  74   1.437   3.459  -6.426
  586   HD12  LEU  74          2HD1      LEU  74   0.484   3.524  -7.903
  587   HD13  LEU  74          3HD1      LEU  74   0.172   4.671  -6.615
  588   HD21  LEU  74          3HD2      LEU  74   3.508   4.484  -6.368
  589   HD22  LEU  74          1HD2      LEU  74   2.758   6.017  -5.961
  590   HD23  LEU  74          2HD2      LEU  74   3.926   5.944  -7.268
  591    H    THR  75           H        THR  75   1.964   1.455  -9.638
  592    HA   THR  75           HA       THR  75   3.107   1.210 -12.351
  593    HB   THR  75           HB       THR  75   3.389  -1.187 -12.112
  594    HG1  THR  75           HG1      THR  75   3.066  -1.303  -9.418
  595   HG21  THR  75          3HG2      THR  75   5.247   0.368 -11.325
  596   HG22  THR  75          1HG2      THR  75   5.274  -1.233 -10.579
  597   HG23  THR  75          2HG2      THR  75   4.637   0.141  -9.688
  598    H    ALA  76           H        ALA  76   1.813  -0.062 -13.768
  599    HA   ALA  76           HA       ALA  76  -1.041   0.449 -13.428
  600    HB1  ALA  76           3HB      ALA  76   0.485  -0.957 -15.657
  601    HB2  ALA  76           1HB      ALA  76   0.088   0.760 -15.614
  602    HB3  ALA  76           2HB      ALA  76  -1.205  -0.438 -15.716
  603    H    ILE  77           H        ILE  77  -2.525  -1.009 -12.793
  604    HA   ILE  77           HA       ILE  77  -1.788  -3.892 -12.579
  605    HB   ILE  77           HB       ILE  77  -3.125  -3.995 -10.526
  606   HG12  ILE  77          1HG1      ILE  77  -3.529  -1.006 -11.003
  607   HG13  ILE  77          2HG1      ILE  77  -4.782  -2.230 -10.897
  608   HG21  ILE  77          1HG2      ILE  77  -1.541  -2.789  -9.099
  609   HG22  ILE  77          2HG2      ILE  77  -1.087  -1.744 -10.427
  610   HG23  ILE  77          3HG2      ILE  77  -0.671  -3.455 -10.463
  611   HD11  ILE  77          3HD1      ILE  77  -4.869  -1.195  -8.797
  612   HD12  ILE  77          1HD1      ILE  77  -3.114  -1.050  -8.690
  613   HD13  ILE  77          2HD1      ILE  77  -3.892  -2.627  -8.478
  614    H    ASP  78           H        ASP  78  -4.482  -1.589 -12.916
  615    HA   ASP  78           HA       ASP  78  -6.185  -3.759 -14.009
  616    HB2  ASP  78           1HB      ASP  78  -7.113  -2.330 -12.202
  617    HB3  ASP  78           2HB      ASP  78  -6.941  -0.921 -13.241
  618    H    LYS  79           H        LYS  79  -7.380  -3.434 -15.878
  619    HA   LYS  79           HA       LYS  79  -6.024  -2.802 -18.167
  620    HB2  LYS  79           1HB      LYS  79  -9.021  -2.572 -17.758
  621    HB3  LYS  79           2HB      LYS  79  -8.200  -2.851 -19.291
  622    HG2  LYS  79           1HG      LYS  79  -8.158  -4.739 -16.902
  623    HG3  LYS  79           2HG      LYS  79  -9.159  -4.935 -18.327
  624    HD2  LYS  79           1HD      LYS  79  -7.433  -6.207 -19.193
  625    HD3  LYS  79           2HD      LYS  79  -6.592  -4.696 -19.464
  626    HE2  LYS  79           1HE      LYS  79  -5.610  -4.922 -17.133
  627    HE3  LYS  79           2HE      LYS  79  -6.340  -6.521 -17.047
  628    HZ1  LYS  79           3HZ      LYS  79  -4.909  -6.095 -19.482
  629    HZ2  LYS  79           1HZ      LYS  79  -4.786  -7.361 -18.361
  630    HZ3  LYS  79           2HZ      LYS  79  -3.913  -5.925 -18.116
  631    H    LYS  80           H        LYS  80  -7.874  -0.639 -16.132
  632    HA   LYS  80           HA       LYS  80  -7.803   1.551 -18.049
  633    HB2  LYS  80           1HB      LYS  80  -8.618   1.539 -15.137
  634    HB3  LYS  80           2HB      LYS  80  -8.924   2.831 -16.301
  635    HG2  LYS  80           1HG      LYS  80 -10.193   1.119 -17.715
  636    HG3  LYS  80           2HG      LYS  80 -10.051   0.002 -16.366
  637    HD2  LYS  80           1HD      LYS  80 -11.393   2.731 -16.283
  638    HD3  LYS  80           2HD      LYS  80 -12.228   1.181 -16.345
  639    HE2  LYS  80           1HE      LYS  80 -10.580   2.318 -14.056
  640    HE3  LYS  80           2HE      LYS  80 -12.255   1.779 -14.024
  641    HZ1  LYS  80           3HZ      LYS  80  -9.845   0.082 -14.347
  642    HZ2  LYS  80           1HZ      LYS  80 -11.433  -0.483 -14.529
  643    HZ3  LYS  80           2HZ      LYS  80 -10.910   0.109 -13.024
  644    H    GLY  81           H        GLY  81  -5.329   0.249 -16.585
  645    HA2  GLY  81           1HA      GLY  81  -3.261   0.979 -15.867
  646    HA3  GLY  81           2HA      GLY  81  -3.632   2.447 -16.760
  647    H    THR  82           H        THR  82  -5.130   1.052 -13.821
  648    HA   THR  82           HA       THR  82  -5.182   3.649 -12.588
  649    HB   THR  82           HB       THR  82  -5.933   0.959 -11.465
  650    HG1  THR  82           HG1      THR  82  -7.893   2.726 -11.809
  651   HG21  THR  82          3HG2      THR  82  -7.181   2.458  -9.791
  652   HG22  THR  82          1HG2      THR  82  -6.182   3.795 -10.364
  653   HG23  THR  82          2HG2      THR  82  -5.431   2.402  -9.581
  654    HA   PRO  83           HA       PRO  83  -0.966   3.074 -10.836
  655    HB2  PRO  83           1HB      PRO  83  -1.897   5.326  -9.043
  656    HB3  PRO  83           2HB      PRO  83  -0.405   5.209  -9.985
  657    HG2  PRO  83           1HG      PRO  83  -2.385   6.771 -10.780
  658    HG3  PRO  83           2HG      PRO  83  -1.432   5.866 -11.964
  659    HD2  PRO  83           1HD      PRO  83  -4.217   5.313 -10.941
  660    HD3  PRO  83           2HD      PRO  83  -3.527   5.086 -12.570
  661    H    GLY  84           H        GLY  84  -0.387   1.690  -9.253
  662    HA2  GLY  84           1HA      GLY  84  -0.837   1.608  -6.607
  663    HA3  GLY  84           2HA      GLY  84  -2.317   0.853  -7.205
  664    H    ILE  85           H        ILE  85  -1.061  -0.760  -5.693
  665    HA   ILE  85           HA       ILE  85   0.757  -2.488  -7.286
  666    HB   ILE  85           HB       ILE  85   0.938  -3.606  -4.863
  667   HG12  ILE  85          1HG1      ILE  85  -0.928  -1.862  -4.069
  668   HG13  ILE  85          2HG1      ILE  85   0.396  -2.263  -2.991
  669   HG21  ILE  85          1HG2      ILE  85   2.901  -2.706  -5.889
  670   HG22  ILE  85          2HG2      ILE  85   2.812  -1.926  -4.317
  671   HG23  ILE  85          3HG2      ILE  85   2.318  -1.050  -5.764
  672   HD11  ILE  85          3HD1      ILE  85   0.647   0.119  -4.836
  673   HD12  ILE  85          1HD1      ILE  85   1.456  -0.200  -3.310
  674   HD13  ILE  85          2HD1      ILE  85  -0.249   0.248  -3.328
  675    H    GLY  86           H        GLY  86   0.392  -4.932  -6.356
  676    HA2  GLY  86           1HA      GLY  86  -2.370  -5.614  -7.129
  677    HA3  GLY  86           2HA      GLY  86  -0.936  -6.625  -7.284
  678    H    ILE  87           H        ILE  87  -3.029  -5.098  -4.917
  679    HA   ILE  87           HA       ILE  87  -2.705  -7.419  -3.087
  680    HB   ILE  87           HB       ILE  87  -2.556  -5.910  -1.165
  681   HG12  ILE  87          1HG1      ILE  87  -2.316  -3.626  -3.180
  682   HG13  ILE  87          2HG1      ILE  87  -3.771  -3.938  -2.254
  683   HG21  ILE  87          1HG2      ILE  87  -0.461  -5.216  -3.261
  684   HG22  ILE  87          2HG2      ILE  87  -0.481  -6.695  -2.316
  685   HG23  ILE  87          3HG2      ILE  87  -0.252  -5.152  -1.512
  686   HD11  ILE  87          3HD1      ILE  87  -2.478  -3.690  -0.162
  687   HD12  ILE  87          1HD1      ILE  87  -2.495  -2.224  -1.135
  688   HD13  ILE  87          2HD1      ILE  87  -1.062  -3.250  -1.114
  689    H    THR  88           H        THR  88  -4.417  -7.508  -1.501
  690    HA   THR  88           HA       THR  88  -6.943  -6.100  -2.262
  691    HB   THR  88           HB       THR  88  -6.636  -9.034  -1.593
  692    HG1  THR  88           HG1      THR  88  -6.185  -8.051  -3.779
  693   HG21  THR  88          3HG2      THR  88  -9.089  -7.261  -1.936
  694   HG22  THR  88          1HG2      THR  88  -8.725  -8.377  -0.612
  695   HG23  THR  88          2HG2      THR  88  -9.162  -9.000  -2.207
  696    H    LEU  89           H        LEU  89  -7.882  -5.109  -0.610
  697    HA   LEU  89           HA       LEU  89  -7.077  -5.742   2.176
  698    HB2  LEU  89           1HB      LEU  89  -8.265  -3.181   1.041
  699    HB3  LEU  89           2HB      LEU  89  -7.578  -3.420   2.635
  700    HG   LEU  89           HG       LEU  89  -6.053  -3.595   0.016
  701   HD11  LEU  89          1HD1      LEU  89  -5.920  -1.500   2.197
  702   HD12  LEU  89          2HD1      LEU  89  -6.709  -1.298   0.635
  703   HD13  LEU  89          3HD1      LEU  89  -4.968  -1.531   0.717
  704   HD21  LEU  89          3HD2      LEU  89  -4.921  -5.073   1.496
  705   HD22  LEU  89          1HD2      LEU  89  -5.199  -4.037   2.897
  706   HD23  LEU  89          2HD2      LEU  89  -4.035  -3.569   1.663
  707    H    VAL  90           H        VAL  90  -8.608  -5.966   3.708
  708    HA   VAL  90           HA       VAL  90 -11.411  -6.441   2.823
  709    HB   VAL  90           HB       VAL  90 -11.599  -7.902   4.796
  710   HG11  VAL  90          1HG1      VAL  90  -9.168  -8.452   3.074
  711   HG12  VAL  90          2HG1      VAL  90 -10.832  -8.857   2.665
  712   HG13  VAL  90          3HG1      VAL  90 -10.032  -9.670   4.011
  713   HG21  VAL  90          3HG2      VAL  90 -10.007  -6.768   6.302
  714   HG22  VAL  90          1HG2      VAL  90  -8.671  -7.197   5.235
  715   HG23  VAL  90          2HG2      VAL  90  -9.545  -8.454   6.106
  716    H    ASP  91           H        ASP  91 -13.010  -6.149   4.657
  717    HA   ASP  91           HA       ASP  91 -12.490  -4.083   6.592
  718    HB2  ASP  91           1HB      ASP  91 -12.625  -2.780   4.466
  719    HB3  ASP  91           2HB      ASP  91 -14.263  -3.379   4.227
  720    H    ASP  92           H        ASP  92 -13.567  -6.768   6.466
  721    HA   ASP  92           HA       ASP  92 -15.256  -8.025   7.364
  722    HB2  ASP  92           1HB      ASP  92 -14.852  -6.462   9.281
  723    HB3  ASP  92           2HB      ASP  92 -16.118  -5.412   8.657
  724    H    LEU  93           H        LEU  93 -17.649  -8.338   7.418
  725    HA   LEU  93           HA       LEU  93 -19.654  -8.459   6.295
  726    HB2  LEU  93           1HB      LEU  93 -19.214  -5.509   5.707
  727    HB3  LEU  93           2HB      LEU  93 -20.751  -6.361   5.816
  728    HG   LEU  93           HG       LEU  93 -18.803  -5.934   8.108
  729   HD11  LEU  93          1HD1      LEU  93 -19.969  -3.878   7.406
  730   HD12  LEU  93          2HD1      LEU  93 -20.507  -4.416   8.996
  731   HD13  LEU  93          3HD1      LEU  93 -21.520  -4.702   7.583
  732   HD21  LEU  93          3HD2      LEU  93 -21.475  -7.388   7.955
  733   HD22  LEU  93          1HD2      LEU  93 -20.831  -6.782   9.482
  734   HD23  LEU  93          2HD2      LEU  93 -19.939  -7.991   8.580
  735    H    GLU  94           H        GLU  94 -16.839  -8.129   4.776
  736    HA   GLU  94           HA       GLU  94 -17.715  -7.549   2.095
  737    HB2  GLU  94           1HB      GLU  94 -15.417  -7.045   2.899
  738    HB3  GLU  94           2HB      GLU  94 -15.114  -8.770   3.062
  739    HG2  GLU  94           1HG      GLU  94 -14.199  -8.004   0.936
  740    HG3  GLU  94           2HG      GLU  94 -15.575  -9.038   0.605
  741    H    HIS  95           H        HIS  95 -17.066 -10.458   4.006
  742    HA   HIS  95           HA       HIS  95 -17.512 -12.201   1.690
  743    HB2  HIS  95           1HB      HIS  95 -15.800 -12.745   3.435
  744    HB3  HIS  95           2HB      HIS  95 -17.099 -12.943   4.612
  745    HD1  HIS  95           HD1      HIS  95 -18.942 -14.830   3.962
  746    HD2  HIS  95           HD2      HIS  95 -15.344 -15.006   1.861
  747    HE1  HIS  95           HE1      HIS  95 -18.849 -17.121   2.892
  748    HE2  HIS  95           HE2      HIS  95 -16.664 -17.249   1.608
  749    H    HIS  96           H        HIS  96 -19.347 -10.801   4.262
  750    HA   HIS  96           HA       HIS  96 -21.419 -12.779   4.436
  751    HB2  HIS  96           1HB      HIS  96 -21.436  -9.820   5.111
  752    HB3  HIS  96           2HB      HIS  96 -22.689 -10.972   5.575
  753    HD1  HIS  96           HD1      HIS  96 -22.356 -12.047   7.796
  754    HD2  HIS  96           HD2      HIS  96 -18.741 -10.726   6.194
  755    HE1  HIS  96           HE1      HIS  96 -20.590 -12.502   9.549
  756    HE2  HIS  96           HE2      HIS  96 -18.382 -11.695   8.596
  757    H    HIS  97           H        HIS  97 -21.730  -9.449   3.185
  758    HA   HIS  97           HA       HIS  97 -23.964 -10.184   1.486
  759    HB2  HIS  97           1HB      HIS  97 -22.406  -7.586   1.672
  760    HB3  HIS  97           2HB      HIS  97 -23.961  -7.811   0.869
  761    HD1  HIS  97           HD1      HIS  97 -25.963  -8.660   2.523
  762    HD2  HIS  97           HD2      HIS  97 -22.609  -7.014   4.369
  763    HE1  HIS  97           HE1      HIS  97 -26.667  -8.063   4.878
  764    HE2  HIS  97           HE2      HIS  97 -24.634  -7.060   6.022
  765    H    HIS  98           H        HIS  98 -24.011  -9.702  -0.823
  766    HA   HIS  98           HA       HIS  98 -21.551  -9.478  -2.328
  767    HB2  HIS  98           1HB      HIS  98 -21.515 -11.887  -1.660
  768    HB3  HIS  98           2HB      HIS  98 -23.082 -12.107  -2.436
  769    HD1  HIS  98           HD1      HIS  98 -19.531 -11.049  -3.308
  770    HD2  HIS  98           HD2      HIS  98 -22.928 -12.573  -5.184
  771    HE1  HIS  98           HE1      HIS  98 -18.859 -11.565  -5.690
  772    HE2  HIS  98           HE2      HIS  98 -20.916 -12.496  -6.851
  773    H    HIS  99           H        HIS  99 -23.604  -7.782  -2.403
  774    HA   HIS  99           HA       HIS  99 -25.709  -8.365  -4.224
  775    HB2  HIS  99           1HB      HIS  99 -24.473  -5.691  -3.497
  776    HB3  HIS  99           2HB      HIS  99 -26.048  -5.934  -4.252
  777    HD1  HIS  99           HD1      HIS  99 -26.255  -4.514  -1.672
  778    HD2  HIS  99           HD2      HIS  99 -26.060  -8.680  -1.801
  779    HE1  HIS  99           HE1      HIS  99 -27.235  -5.352   0.504
  780    HE2  HIS  99           HE2      HIS  99 -27.130  -7.885   0.450
  781    H    HIS 100           H        HIS 100 -22.499  -6.944  -4.627
  782    HA   HIS 100           HA       HIS 100 -22.238  -7.778  -7.340
  783    HB2  HIS 100           1HB      HIS 100 -22.131  -5.511  -8.386
  784    HB3  HIS 100           2HB      HIS 100 -23.751  -5.912  -7.824
  785    HD1  HIS 100           HD1      HIS 100 -24.378  -4.908  -5.375
  786    HD2  HIS 100           HD2      HIS 100 -21.135  -3.141  -7.313
  787    HE1  HIS 100           HE1      HIS 100 -23.988  -2.685  -4.231
  788    HE2  HIS 100           HE2      HIS 100 -22.016  -1.592  -5.398
  Start of MODEL    8
    1    H1   MET   1           1H       MET   1  -3.918   2.638  27.299
    2    H2   MET   1           2H       MET   1  -3.817   1.313  26.240
    3    H3   MET   1           3H       MET   1  -4.398   1.098  27.822
    4    HA   MET   1           HA       MET   1  -6.368   2.285  27.391
    5    HB2  MET   1           1HB      MET   1  -6.654   3.192  24.936
    6    HB3  MET   1           2HB      MET   1  -5.681   4.138  26.057
    7    HG2  MET   1           1HG      MET   1  -3.619   3.227  25.129
    8    HG3  MET   1           2HG      MET   1  -4.523   2.120  24.098
    9    HE1  MET   1           3HE      MET   1  -2.341   3.919  22.911
   10    HE2  MET   1           1HE      MET   1  -3.147   4.506  21.451
   11    HE3  MET   1           2HE      MET   1  -3.380   2.841  21.981
   12    H    VAL   2           H        VAL   2  -6.904   0.084  27.709
   13    HA   VAL   2           HA       VAL   2  -6.715  -1.936  25.741
   14    HB   VAL   2           HB       VAL   2  -7.080  -2.385  28.137
   15   HG11  VAL   2          1HG1      VAL   2  -9.260  -2.036  29.182
   16   HG12  VAL   2          2HG1      VAL   2  -9.914  -1.369  27.688
   17   HG13  VAL   2          3HG1      VAL   2  -8.660  -0.496  28.570
   18   HG21  VAL   2          3HG2      VAL   2  -7.733  -4.084  26.417
   19   HG22  VAL   2          1HG2      VAL   2  -9.377  -3.446  26.440
   20   HG23  VAL   2          2HG2      VAL   2  -8.704  -4.197  27.883
   21    H    LYS   3           H        LYS   3  -9.039   0.626  26.270
   22    HA   LYS   3           HA       LYS   3 -11.201  -0.365  24.758
   23    HB2  LYS   3           1HB      LYS   3 -10.305   2.505  25.134
   24    HB3  LYS   3           2HB      LYS   3 -11.899   1.996  24.576
   25    HG2  LYS   3           1HG      LYS   3 -12.179   0.718  26.739
   26    HG3  LYS   3           2HG      LYS   3 -10.664   1.423  27.299
   27    HD2  LYS   3           1HD      LYS   3 -13.115   3.024  26.458
   28    HD3  LYS   3           2HD      LYS   3 -12.681   2.660  28.124
   29    HE2  LYS   3           1HE      LYS   3 -10.422   3.831  27.633
   30    HE3  LYS   3           2HE      LYS   3 -11.199   4.452  26.173
   31    HZ1  LYS   3           3HZ      LYS   3 -12.715   4.712  28.632
   32    HZ2  LYS   3           1HZ      LYS   3 -12.533   5.798  27.344
   33    HZ3  LYS   3           2HZ      LYS   3 -11.316   5.667  28.521
   34    H    VAL   4           H        VAL   4 -11.003  -1.086  22.712
   35    HA   VAL   4           HA       VAL   4  -9.009  -0.267  20.867
   36    HB   VAL   4           HB       VAL   4 -10.139  -2.452  20.770
   37   HG11  VAL   4          1HG1      VAL   4 -12.593  -0.921  19.826
   38   HG12  VAL   4          2HG1      VAL   4 -12.413  -1.650  21.421
   39   HG13  VAL   4          3HG1      VAL   4 -12.438  -2.670  19.983
   40   HG21  VAL   4          3HG2      VAL   4 -10.446  -2.561  18.343
   41   HG22  VAL   4          1HG2      VAL   4  -9.102  -1.480  18.707
   42   HG23  VAL   4          2HG2      VAL   4 -10.672  -0.817  18.253
   43    H    THR   5           H        THR   5  -9.131   1.071  19.057
   44    HA   THR   5           HA       THR   5 -11.527   2.672  18.535
   45    HB   THR   5           HB       THR   5  -8.907   4.004  19.331
   46    HG1  THR   5           HG1      THR   5  -9.648   3.664  21.249
   47   HG21  THR   5          3HG2      THR   5 -10.311   6.065  19.308
   48   HG22  THR   5          1HG2      THR   5 -11.661   5.119  18.683
   49   HG23  THR   5          2HG2      THR   5 -10.200   5.323  17.714
   50    H    TYR   6           H        TYR   6  -8.026   2.351  17.858
   51    HA   TYR   6           HA       TYR   6  -8.203   3.355  15.193
   52    HB2  TYR   6           1HB      TYR   6  -5.941   2.416  14.913
   53    HB3  TYR   6           2HB      TYR   6  -6.079   3.337  16.408
   54    HD1  TYR   6           HD1      TYR   6  -5.755  -0.054  14.965
   55    HD2  TYR   6           HD2      TYR   6  -6.072   2.207  18.601
   56    HE1  TYR   6           HE1      TYR   6  -5.027  -2.038  16.261
   57    HE2  TYR   6           HE2      TYR   6  -5.343   0.225  19.899
   58    HH   TYR   6           HH       TYR   6  -5.388  -2.830  18.763
   59    H    ASP   7           H        ASP   7  -8.313   2.274  13.241
   60    HA   ASP   7           HA       ASP   7  -8.910  -0.641  13.237
   61    HB2  ASP   7           1HB      ASP   7 -10.520   1.526  11.847
   62    HB3  ASP   7           2HB      ASP   7 -10.762  -0.210  11.654
   63    H    GLY   8           H        GLY   8  -7.863   2.264  11.534
   64    HA2  GLY   8           1HA      GLY   8  -6.761   2.569   9.510
   65    HA3  GLY   8           2HA      GLY   8  -5.769   1.245  10.111
   66    H    VAL   9           H        VAL   9  -5.412   0.296   8.107
   67    HA   VAL   9           HA       VAL   9  -7.722  -1.187   6.956
   68    HB   VAL   9           HB       VAL   9  -5.555   0.153   5.280
   69   HG11  VAL   9          1HG1      VAL   9  -7.092  -0.429   3.411
   70   HG12  VAL   9          2HG1      VAL   9  -8.163  -1.235   4.550
   71   HG13  VAL   9          3HG1      VAL   9  -6.542  -1.865   4.267
   72   HG21  VAL   9          3HG2      VAL   9  -7.347   1.732   4.580
   73   HG22  VAL   9          1HG2      VAL   9  -6.989   1.878   6.298
   74   HG23  VAL   9          2HG2      VAL   9  -8.432   1.013   5.771
   75    H    TYR  10           H        TYR  10  -7.276  -3.318   6.862
   76    HA   TYR  10           HA       TYR  10  -4.472  -4.240   7.246
   77    HB2  TYR  10           1HB      TYR  10  -7.113  -5.693   7.600
   78    HB3  TYR  10           2HB      TYR  10  -5.534  -6.421   7.835
   79    HD1  TYR  10           HD1      TYR  10  -4.119  -5.785   9.761
   80    HD2  TYR  10           HD2      TYR  10  -8.013  -4.056   9.210
   81    HE1  TYR  10           HE1      TYR  10  -4.097  -4.991  12.108
   82    HE2  TYR  10           HE2      TYR  10  -7.994  -3.266  11.560
   83    HH   TYR  10           HH       TYR  10  -5.234  -3.965  13.712
   84    H    VAL  11           H        VAL  11  -3.456  -5.284   5.712
   85    HA   VAL  11           HA       VAL  11  -4.602  -5.589   3.045
   86    HB   VAL  11           HB       VAL  11  -1.908  -6.492   4.124
   87   HG11  VAL  11          1HG1      VAL  11  -2.448  -7.661   2.047
   88   HG12  VAL  11          2HG1      VAL  11  -1.276  -6.399   1.690
   89   HG13  VAL  11          3HG1      VAL  11  -2.971  -6.155   1.290
   90   HG21  VAL  11          3HG2      VAL  11  -2.157  -4.073   4.367
   91   HG22  VAL  11          1HG2      VAL  11  -2.794  -3.927   2.729
   92   HG23  VAL  11          2HG2      VAL  11  -1.112  -4.374   2.983
   93    H    LEU  12           H        LEU  12  -5.487  -7.439   2.179
   94    HA   LEU  12           HA       LEU  12  -6.063  -9.658   3.942
   95    HB2  LEU  12           1HB      LEU  12  -7.493  -8.576   1.978
   96    HB3  LEU  12           2HB      LEU  12  -6.612  -9.696   0.962
   97    HG   LEU  12           HG       LEU  12  -8.351 -10.416   3.354
   98   HD11  LEU  12          1HD1      LEU  12  -9.784 -11.492   1.655
   99   HD12  LEU  12          2HD1      LEU  12  -8.691 -10.944   0.385
  100   HD13  LEU  12          3HD1      LEU  12  -9.603  -9.766   1.330
  101   HD21  LEU  12          3HD2      LEU  12  -6.550 -12.131   1.602
  102   HD22  LEU  12          1HD2      LEU  12  -7.934 -12.822   2.458
  103   HD23  LEU  12          2HD2      LEU  12  -6.639 -12.059   3.362
  104    H    SER  13           H        SER  13  -4.291  -9.298   0.873
  105    HA   SER  13           HA       SER  13  -2.376 -11.384   1.626
  106    HB2  SER  13           1HB      SER  13  -2.834 -12.794  -0.301
  107    HB3  SER  13           2HB      SER  13  -4.310 -12.622   0.646
  108    HG   SER  13           HG       SER  13  -3.751 -10.791  -1.408
  109    H    VAL  14           H        VAL  14  -0.544 -11.449   0.318
  110    HA   VAL  14           HA       VAL  14  -0.229  -9.396  -1.795
  111    HB   VAL  14           HB       VAL  14   1.742  -9.866   0.485
  112   HG11  VAL  14          1HG1      VAL  14   2.902  -9.257  -1.586
  113   HG12  VAL  14          2HG1      VAL  14   2.895  -7.857  -0.517
  114   HG13  VAL  14          3HG1      VAL  14   1.771  -7.936  -1.872
  115   HG21  VAL  14          3HG2      VAL  14  -0.244  -8.634   1.249
  116   HG22  VAL  14          1HG2      VAL  14  -0.076  -7.508  -0.093
  117   HG23  VAL  14          2HG2      VAL  14   1.149  -7.560   1.172
  118    H    LYS  15           H        LYS  15   0.291 -10.622  -3.621
  119    HA   LYS  15           HA       LYS  15   1.446 -13.236  -3.368
  120    HB2  LYS  15           1HB      LYS  15   1.131 -11.368  -5.735
  121    HB3  LYS  15           2HB      LYS  15   1.594 -13.065  -5.851
  122    HG2  LYS  15           1HG      LYS  15  -0.527 -13.723  -4.750
  123    HG3  LYS  15           2HG      LYS  15  -1.012 -12.035  -4.667
  124    HD2  LYS  15           1HD      LYS  15  -0.354 -13.387  -7.323
  125    HD3  LYS  15           2HD      LYS  15  -1.971 -13.452  -6.631
  126    HE2  LYS  15           1HE      LYS  15  -0.464 -10.933  -7.436
  127    HE3  LYS  15           2HE      LYS  15  -1.874 -11.618  -8.230
  128    HZ1  LYS  15           3HZ      LYS  15  -2.855 -10.070  -6.908
  129    HZ2  LYS  15           1HZ      LYS  15  -1.691 -10.190  -5.680
  130    HZ3  LYS  15           2HZ      LYS  15  -2.880 -11.392  -5.842
  131    H    GLU  16           H        GLU  16   3.518 -13.816  -4.432
  132    HA   GLU  16           HA       GLU  16   5.657 -11.924  -3.655
  133    HB2  GLU  16           1HB      GLU  16   5.783 -14.894  -4.253
  134    HB3  GLU  16           2HB      GLU  16   7.138 -13.894  -3.735
  135    HG2  GLU  16           1HG      GLU  16   6.301 -14.983  -1.746
  136    HG3  GLU  16           2HG      GLU  16   5.794 -13.301  -1.642
  137    H    ASP  17           H        ASP  17   4.404 -11.175  -6.007
  138    HA   ASP  17           HA       ASP  17   6.616 -11.252  -7.902
  139    HB2  ASP  17           1HB      ASP  17   3.910 -12.412  -8.657
  140    HB3  ASP  17           2HB      ASP  17   5.213 -12.067  -9.792
  141    H    VAL  18           H        VAL  18   5.265  -9.247  -6.315
  142    HA   VAL  18           HA       VAL  18   4.419  -7.374  -8.448
  143    HB   VAL  18           HB       VAL  18   2.562  -6.589  -6.874
  144   HG11  VAL  18          1HG1      VAL  18   0.997  -8.370  -7.494
  145   HG12  VAL  18          2HG1      VAL  18   2.332  -9.461  -7.836
  146   HG13  VAL  18          3HG1      VAL  18   2.085  -8.032  -8.837
  147   HG21  VAL  18          3HG2      VAL  18   3.144  -9.236  -5.487
  148   HG22  VAL  18          1HG2      VAL  18   1.821  -8.136  -5.117
  149   HG23  VAL  18          2HG2      VAL  18   3.482  -7.644  -4.809
  150    HA   PRO  19           HA       PRO  19   7.157  -4.458  -6.408
  151    HB2  PRO  19           1HB      PRO  19   4.753  -2.656  -5.987
  152    HB3  PRO  19           2HB      PRO  19   6.369  -2.230  -6.590
  153    HG2  PRO  19           1HG      PRO  19   4.322  -2.512  -8.282
  154    HG3  PRO  19           2HG      PRO  19   5.944  -3.096  -8.719
  155    HD2  PRO  19           1HD      PRO  19   3.524  -4.695  -7.934
  156    HD3  PRO  19           2HD      PRO  19   4.870  -5.141  -9.003
  157    H    ALA  20           H        ALA  20   4.001  -4.907  -4.849
  158    HA   ALA  20           HA       ALA  20   4.718  -4.078  -2.242
  159    HB1  ALA  20           3HB      ALA  20   2.586  -6.018  -3.181
  160    HB2  ALA  20           1HB      ALA  20   2.386  -4.287  -2.941
  161    HB3  ALA  20           2HB      ALA  20   2.671  -5.338  -1.558
  162    H    ALA  21           H        ALA  21   5.598  -6.922  -3.981
  163    HA   ALA  21           HA       ALA  21   5.831  -8.734  -1.792
  164    HB1  ALA  21           3HB      ALA  21   5.643  -9.508  -4.119
  165    HB2  ALA  21           1HB      ALA  21   7.135 -10.090  -3.380
  166    HB3  ALA  21           2HB      ALA  21   7.183  -8.743  -4.508
  167    H    GLY  22           H        GLY  22   7.530  -9.193  -0.545
  168    HA2  GLY  22           1HA      GLY  22   9.659  -9.192   0.348
  169    HA3  GLY  22           2HA      GLY  22  10.224  -8.291  -1.053
  170    H    ILE  23           H        ILE  23   7.747  -6.443  -0.175
  171    HA   ILE  23           HA       ILE  23   9.333  -4.779   1.728
  172    HB   ILE  23           HB       ILE  23   7.296  -3.922  -0.369
  173   HG12  ILE  23          1HG1      ILE  23  10.337  -3.643  -0.403
  174   HG13  ILE  23          2HG1      ILE  23   9.443  -4.825  -1.351
  175   HG21  ILE  23          1HG2      ILE  23   7.452  -2.389   1.579
  176   HG22  ILE  23          2HG2      ILE  23   8.137  -1.641   0.150
  177   HG23  ILE  23          3HG2      ILE  23   9.200  -2.319   1.379
  178   HD11  ILE  23          3HD1      ILE  23   9.887  -2.973  -2.804
  179   HD12  ILE  23          1HD1      ILE  23   9.321  -1.813  -1.605
  180   HD13  ILE  23          2HD1      ILE  23   8.173  -2.887  -2.401
  181    H    LEU  24           H        LEU  24   6.024  -5.553   0.655
  182    HA   LEU  24           HA       LEU  24   4.954  -4.913   3.356
  183    HB2  LEU  24           1HB      LEU  24   3.787  -4.922   0.569
  184    HB3  LEU  24           2HB      LEU  24   2.712  -4.967   1.960
  185    HG   LEU  24           HG       LEU  24   4.859  -2.798   1.787
  186   HD11  LEU  24          1HD1      LEU  24   2.101  -2.636   0.519
  187   HD12  LEU  24          2HD1      LEU  24   3.631  -2.673  -0.358
  188   HD13  LEU  24          3HD1      LEU  24   3.244  -1.300   0.676
  189   HD21  LEU  24          3HD2      LEU  24   3.522  -3.135   3.909
  190   HD22  LEU  24          1HD2      LEU  24   2.056  -2.795   2.995
  191   HD23  LEU  24          2HD2      LEU  24   3.290  -1.553   3.188
  192    H    HIS  25           H        HIS  25   4.046  -6.443   4.562
  193    HA   HIS  25           HA       HIS  25   3.811  -9.227   3.511
  194    HB2  HIS  25           1HB      HIS  25   4.184  -8.227   6.360
  195    HB3  HIS  25           2HB      HIS  25   4.112  -9.915   5.848
  196    HD1  HIS  25           HD1      HIS  25   6.045 -10.568   3.980
  197    HD2  HIS  25           HD2      HIS  25   6.739  -7.186   6.317
  198    HE1  HIS  25           HE1      HIS  25   8.516 -10.069   3.802
  199    HE2  HIS  25           HE2      HIS  25   8.965  -8.010   5.218
  200    H    ALA  26           H        ALA  26   1.823 -10.135   3.507
  201    HA   ALA  26           HA       ALA  26  -0.538  -8.778   3.713
  202    HB1  ALA  26           3HB      ALA  26  -0.122 -11.698   4.420
  203    HB2  ALA  26           1HB      ALA  26  -0.275 -11.057   2.786
  204    HB3  ALA  26           2HB      ALA  26  -1.638 -10.957   3.906
  205    H    GLY  27           H        GLY  27  -1.962  -8.165   5.284
  206    HA2  GLY  27           1HA      GLY  27  -3.020  -8.221   7.394
  207    HA3  GLY  27           2HA      GLY  27  -1.665  -9.119   8.066
  208    H    ASP  28           H        ASP  28  -0.265  -6.759   6.255
  209    HA   ASP  28           HA       ASP  28   0.637  -5.260   8.494
  210    HB2  ASP  28           1HB      ASP  28   1.648  -3.769   6.783
  211    HB3  ASP  28           2HB      ASP  28   1.982  -5.465   6.469
  212    H    LEU  29           H        LEU  29  -0.357  -3.672   9.567
  213    HA   LEU  29           HA       LEU  29  -2.833  -2.459   8.585
  214    HB2  LEU  29           1HB      LEU  29  -2.498  -3.237  10.936
  215    HB3  LEU  29           2HB      LEU  29  -1.270  -2.049  11.170
  216    HG   LEU  29           HG       LEU  29  -2.893  -0.237  10.801
  217   HD11  LEU  29          1HD1      LEU  29  -4.766  -2.497  10.085
  218   HD12  LEU  29          2HD1      LEU  29  -4.550  -0.929   9.322
  219   HD13  LEU  29          3HD1      LEU  29  -5.432  -1.048  10.833
  220   HD21  LEU  29          3HD2      LEU  29  -2.589  -1.113  13.084
  221   HD22  LEU  29          1HD2      LEU  29  -3.857  -2.309  12.807
  222   HD23  LEU  29          2HD2      LEU  29  -4.255  -0.591  12.846
  223    H    ILE  30           H        ILE  30  -2.910  -0.322   7.709
  224    HA   ILE  30           HA       ILE  30  -0.333   1.079   7.528
  225    HB   ILE  30           HB       ILE  30  -3.029   1.970   6.413
  226   HG12  ILE  30          1HG1      ILE  30  -2.686  -0.293   5.570
  227   HG13  ILE  30          2HG1      ILE  30  -2.341   0.844   4.278
  228   HG21  ILE  30          1HG2      ILE  30  -1.204   3.630   6.435
  229   HG22  ILE  30          2HG2      ILE  30  -1.604   3.148   4.787
  230   HG23  ILE  30          3HG2      ILE  30  -0.160   2.502   5.567
  231   HD11  ILE  30          3HD1      ILE  30  -0.406  -0.795   5.909
  232   HD12  ILE  30          1HD1      ILE  30   0.153   0.611   4.997
  233   HD13  ILE  30          2HD1      ILE  30  -0.593  -0.745   4.162
  234    H    THR  31           H        THR  31   0.176   2.661   8.945
  235    HA   THR  31           HA       THR  31  -1.838   3.664  10.870
  236    HB   THR  31           HB       THR  31   0.113   4.439  12.150
  237    HG1  THR  31           HG1      THR  31   1.928   3.133  10.572
  238   HG21  THR  31          3HG2      THR  31  -0.671   2.112  12.443
  239   HG22  THR  31          1HG2      THR  31   1.075   2.227  12.656
  240   HG23  THR  31          2HG2      THR  31   0.412   1.588  11.154
  241    H    GLU  32           H        GLU  32   0.435   4.811   8.389
  242    HA   GLU  32           HA       GLU  32  -1.065   7.318   8.138
  243    HB2  GLU  32           1HB      GLU  32   0.644   7.749   9.939
  244    HB3  GLU  32           2HB      GLU  32   1.913   7.375   8.780
  245    HG2  GLU  32           1HG      GLU  32   1.129   9.230   7.327
  246    HG3  GLU  32           2HG      GLU  32  -0.137   9.599   8.497
  247    H    ILE  33           H        ILE  33  -0.718   8.351   6.157
  248    HA   ILE  33           HA       ILE  33   1.199   7.216   4.232
  249    HB   ILE  33           HB       ILE  33  -1.232   6.047   4.295
  250   HG12  ILE  33          1HG1      ILE  33   0.516   5.367   2.743
  251   HG13  ILE  33          2HG1      ILE  33  -1.007   5.480   1.880
  252   HG21  ILE  33          1HG2      ILE  33  -1.778   8.291   2.321
  253   HG22  ILE  33          2HG2      ILE  33  -2.429   8.245   3.958
  254   HG23  ILE  33          3HG2      ILE  33  -2.872   6.994   2.798
  255   HD11  ILE  33          3HD1      ILE  33  -0.202   7.876   1.224
  256   HD12  ILE  33          1HD1      ILE  33   0.536   6.488   0.433
  257   HD13  ILE  33          2HD1      ILE  33   1.382   7.303   1.739
  258    H    ASP  34           H        ASP  34   1.861   8.771   2.736
  259    HA   ASP  34           HA       ASP  34   2.294  10.909   2.041
  260    HB2  ASP  34           1HB      ASP  34   0.258  10.233   0.745
  261    HB3  ASP  34           2HB      ASP  34  -0.739  11.059   1.936
  262    H    GLY  35           H        GLY  35   1.759  10.529   5.003
  263    HA2  GLY  35           1HA      GLY  35   2.029  11.957   6.812
  264    HA3  GLY  35           2HA      GLY  35   1.846  13.341   5.740
  265    H    GLN  36           H        GLN  36  -0.721  11.552   4.915
  266    HA   GLN  36           HA       GLN  36  -2.568  13.066   6.633
  267    HB2  GLN  36           1HB      GLN  36  -3.082  11.198   4.295
  268    HB3  GLN  36           2HB      GLN  36  -4.304  12.152   5.133
  269    HG2  GLN  36           1HG      GLN  36  -3.101  14.229   4.510
  270    HG3  GLN  36           2HG      GLN  36  -1.911  13.264   3.638
  271   HE21  GLN  36          2HE2      GLN  36  -4.789  14.989   3.228
  272   HE22  GLN  36          1HE2      GLN  36  -5.300  14.282   1.773
  273    H    SER  37           H        SER  37  -4.374  11.994   7.694
  274    HA   SER  37           HA       SER  37  -3.576   9.438   8.964
  275    HB2  SER  37           1HB      SER  37  -5.233  10.049  10.678
  276    HB3  SER  37           2HB      SER  37  -4.053  11.336  10.442
  277    HG   SER  37           HG       SER  37  -6.074  11.661   8.725
  278    H    PHE  38           H        PHE  38  -6.903  10.493   8.875
  279    HA   PHE  38           HA       PHE  38  -8.830   9.499   8.188
  280    HB2  PHE  38           1HB      PHE  38  -7.108   8.580   5.857
  281    HB3  PHE  38           2HB      PHE  38  -8.860   8.477   5.916
  282    HD1  PHE  38           HD2      PHE  38 -10.140  10.699   6.530
  283    HD2  PHE  38           HD1      PHE  38  -6.156  10.594   4.926
  284    HE1  PHE  38           HE2      PHE  38 -10.381  13.043   5.784
  285    HE2  PHE  38           HE1      PHE  38  -6.400  12.945   4.181
  286    HZ   PHE  38           HZ       PHE  38  -8.510  14.171   4.608
  287    H    LYS  39           H        LYS  39  -9.973   7.649   8.586
  288    HA   LYS  39           HA       LYS  39  -8.515   5.087   8.989
  289    HB2  LYS  39           1HB      LYS  39 -10.580   6.278  10.872
  290    HB3  LYS  39           2HB      LYS  39  -9.777   4.721  11.066
  291    HG2  LYS  39           1HG      LYS  39  -8.298   7.383  11.002
  292    HG3  LYS  39           2HG      LYS  39  -8.811   6.589  12.484
  293    HD2  LYS  39           1HD      LYS  39  -7.419   4.618  11.928
  294    HD3  LYS  39           2HD      LYS  39  -6.887   5.394  10.444
  295    HE2  LYS  39           1HE      LYS  39  -5.905   7.230  11.709
  296    HE3  LYS  39           2HE      LYS  39  -6.438   6.488  13.220
  297    HZ1  LYS  39           3HZ      LYS  39  -4.122   5.967  12.709
  298    HZ2  LYS  39           1HZ      LYS  39  -4.598   5.238  11.253
  299    HZ3  LYS  39           2HZ      LYS  39  -5.082   4.566  12.737
  300    H    SER  40           H        SER  40  -9.307   4.476   7.030
  301    HA   SER  40           HA       SER  40 -11.566   2.849   7.050
  302    HB2  SER  40           1HB      SER  40 -13.020   4.192   5.365
  303    HB3  SER  40           2HB      SER  40 -13.081   4.713   7.040
  304    HG   SER  40           HG       SER  40 -11.870   6.430   6.571
  305    H    SER  41           H        SER  41 -11.917   1.780   4.994
  306    HA   SER  41           HA       SER  41  -9.500   1.625   3.397
  307    HB2  SER  41           1HB      SER  41 -10.715  -0.159   2.206
  308    HB3  SER  41           2HB      SER  41 -10.786  -0.394   3.950
  309    HG   SER  41           HG       SER  41 -12.785   0.023   2.173
  310    H    GLN  42           H        GLN  42 -12.936   2.435   2.702
  311    HA   GLN  42           HA       GLN  42 -12.686   3.058   0.029
  312    HB2  GLN  42           1HB      GLN  42 -14.418   4.406   2.123
  313    HB3  GLN  42           2HB      GLN  42 -14.663   4.558   0.382
  314    HG2  GLN  42           1HG      GLN  42 -14.981   2.127   0.191
  315    HG3  GLN  42           2HG      GLN  42 -14.704   1.940   1.923
  316   HE21  GLN  42          2HE2      GLN  42 -16.742   1.475   2.819
  317   HE22  GLN  42          1HE2      GLN  42 -18.152   2.365   2.504
  318    H    GLU  43           H        GLU  43 -12.046   5.220   2.794
  319    HA   GLU  43           HA       GLU  43 -11.465   7.526   1.203
  320    HB2  GLU  43           1HB      GLU  43 -10.544   6.787   3.999
  321    HB3  GLU  43           2HB      GLU  43 -10.366   8.379   3.264
  322    HG2  GLU  43           1HG      GLU  43 -12.829   8.539   3.019
  323    HG3  GLU  43           2HG      GLU  43 -13.002   6.959   3.781
  324    H    PHE  44           H        PHE  44  -9.624   4.715   2.261
  325    HA   PHE  44           HA       PHE  44  -7.033   5.763   1.575
  326    HB2  PHE  44           1HB      PHE  44  -7.532   3.914   3.224
  327    HB3  PHE  44           2HB      PHE  44  -7.846   2.846   1.877
  328    HD1  PHE  44           HD2      PHE  44  -5.252   4.982   3.481
  329    HD2  PHE  44           HD1      PHE  44  -6.007   1.915   0.572
  330    HE1  PHE  44           HE2      PHE  44  -2.824   4.594   3.248
  331    HE2  PHE  44           HE1      PHE  44  -3.572   1.531   0.341
  332    HZ   PHE  44           HZ       PHE  44  -1.972   2.879   1.678
  333    H    ILE  45           H        ILE  45  -9.284   3.454   0.049
  334    HA   ILE  45           HA       ILE  45  -7.757   2.888  -2.226
  335    HB   ILE  45           HB       ILE  45 -10.756   2.792  -1.722
  336   HG12  ILE  45          1HG1      ILE  45 -10.334   0.313  -2.337
  337   HG13  ILE  45          2HG1      ILE  45  -8.615   0.679  -2.335
  338   HG21  ILE  45          1HG2      ILE  45 -10.748   3.438  -4.057
  339   HG22  ILE  45          2HG2      ILE  45 -10.919   1.689  -4.077
  340   HG23  ILE  45          3HG2      ILE  45  -9.344   2.424  -4.412
  341   HD11  ILE  45          3HD1      ILE  45 -10.523   0.984  -0.004
  342   HD12  ILE  45          1HD1      ILE  45  -8.809   1.399   0.039
  343   HD13  ILE  45          2HD1      ILE  45  -9.307  -0.273  -0.192
  344    H    ASP  46           H        ASP  46  -9.783   5.600  -1.417
  345    HA   ASP  46           HA       ASP  46  -9.946   6.779  -4.005
  346    HB2  ASP  46           1HB      ASP  46 -10.059   8.074  -1.267
  347    HB3  ASP  46           2HB      ASP  46 -10.510   8.867  -2.772
  348    H    TYR  47           H        TYR  47  -7.511   7.085  -1.413
  349    HA   TYR  47           HA       TYR  47  -6.100   9.254  -2.617
  350    HB2  TYR  47           1HB      TYR  47  -5.874   8.673  -0.233
  351    HB3  TYR  47           2HB      TYR  47  -5.097   7.155  -0.664
  352    HD1  TYR  47           HD2      TYR  47  -4.842  10.854  -1.220
  353    HD2  TYR  47           HD1      TYR  47  -2.693   7.139  -0.945
  354    HE1  TYR  47           HE2      TYR  47  -2.700  12.071  -1.489
  355    HE2  TYR  47           HE1      TYR  47  -0.555   8.357  -1.209
  356    HH   TYR  47           HH       TYR  47   0.367  10.339  -1.804
  357    H    ILE  48           H        ILE  48  -5.378   5.746  -2.571
  358    HA   ILE  48           HA       ILE  48  -3.133   5.959  -4.337
  359    HB   ILE  48           HB       ILE  48  -3.870   3.310  -4.644
  360   HG12  ILE  48          1HG1      ILE  48  -4.869   4.044  -1.869
  361   HG13  ILE  48          2HG1      ILE  48  -5.934   3.826  -3.253
  362   HG21  ILE  48          1HG2      ILE  48  -1.696   4.095  -3.737
  363   HG22  ILE  48          2HG2      ILE  48  -2.359   2.802  -2.749
  364   HG23  ILE  48          3HG2      ILE  48  -2.469   4.474  -2.201
  365   HD11  ILE  48          3HD1      ILE  48  -3.977   1.715  -2.296
  366   HD12  ILE  48          1HD1      ILE  48  -5.221   1.533  -3.529
  367   HD13  ILE  48          2HD1      ILE  48  -5.672   1.756  -1.841
  368    H    HIS  49           H        HIS  49  -6.528   5.095  -4.907
  369    HA   HIS  49           HA       HIS  49  -6.240   4.497  -7.660
  370    HB2  HIS  49           1HB      HIS  49  -8.183   3.850  -6.238
  371    HB3  HIS  49           2HB      HIS  49  -8.698   5.532  -6.205
  372    HD1  HIS  49           HD1      HIS  49  -9.349   6.586  -8.598
  373    HD2  HIS  49           HD2      HIS  49  -8.986   2.433  -8.492
  374    HE1  HIS  49           HE1      HIS  49 -10.519   5.711 -10.660
  375    HE2  HIS  49           HE2      HIS  49 -10.311   3.181 -10.619
  376    H    SER  50           H        SER  50  -6.199   7.524  -5.989
  377    HA   SER  50           HA       SER  50  -6.866   9.073  -8.436
  378    HB2  SER  50           1HB      SER  50  -7.097  10.964  -6.902
  379    HB3  SER  50           2HB      SER  50  -8.089   9.611  -6.359
  380    HG   SER  50           HG       SER  50  -6.086  10.863  -5.093
  381    H    LYS  51           H        LYS  51  -4.151   7.840  -6.874
  382    HA   LYS  51           HA       LYS  51  -2.421  10.139  -7.333
  383    HB2  LYS  51           1HB      LYS  51  -2.346   8.282  -5.401
  384    HB3  LYS  51           2HB      LYS  51  -1.459   7.366  -6.601
  385    HG2  LYS  51           1HG      LYS  51   0.283   8.472  -5.495
  386    HG3  LYS  51           2HG      LYS  51  -0.011   9.568  -6.836
  387    HD2  LYS  51           1HD      LYS  51  -1.500  10.932  -5.311
  388    HD3  LYS  51           2HD      LYS  51  -1.057   9.856  -3.997
  389    HE2  LYS  51           1HE      LYS  51   0.345  11.843  -3.889
  390    HE3  LYS  51           2HE      LYS  51   1.352  10.478  -4.378
  391    HZ1  LYS  51           3HZ      LYS  51   1.779  12.380  -5.778
  392    HZ2  LYS  51           1HZ      LYS  51   0.136  12.505  -6.178
  393    HZ3  LYS  51           2HZ      LYS  51   1.034  11.159  -6.695
  394    H    LYS  52           H        LYS  52  -1.103  10.321  -9.054
  395    HA   LYS  52           HA       LYS  52  -1.633   8.834 -11.441
  396    HB2  LYS  52           1HB      LYS  52   0.552  10.838 -10.793
  397    HB3  LYS  52           2HB      LYS  52   0.173  10.250 -12.414
  398    HG2  LYS  52           1HG      LYS  52  -2.127  11.126 -12.202
  399    HG3  LYS  52           2HG      LYS  52  -1.759  11.717 -10.581
  400    HD2  LYS  52           1HD      LYS  52  -0.023  13.202 -11.501
  401    HD3  LYS  52           2HD      LYS  52  -0.353  12.600 -13.125
  402    HE2  LYS  52           1HE      LYS  52  -1.513  14.742 -12.747
  403    HE3  LYS  52           2HE      LYS  52  -2.681  13.437 -12.956
  404    HZ1  LYS  52           3HZ      LYS  52  -3.109  13.362 -10.675
  405    HZ2  LYS  52           1HZ      LYS  52  -3.048  15.021 -11.029
  406    HZ3  LYS  52           2HZ      LYS  52  -1.723  14.263 -10.282
  407    H    VAL  53           H        VAL  53  -0.189   7.529 -12.709
  408    HA   VAL  53           HA       VAL  53   1.178   5.548 -11.237
  409    HB   VAL  53           HB       VAL  53   1.520   6.153 -14.212
  410   HG11  VAL  53          1HG1      VAL  53   1.947   3.681 -14.328
  411   HG12  VAL  53          2HG1      VAL  53   1.867   3.610 -12.568
  412   HG13  VAL  53          3HG1      VAL  53   3.151   4.523 -13.358
  413   HG21  VAL  53          3HG2      VAL  53  -0.569   4.463 -12.800
  414   HG22  VAL  53          1HG2      VAL  53  -0.328   4.524 -14.545
  415   HG23  VAL  53          2HG2      VAL  53  -0.861   5.964 -13.689
  416    H    GLY  54           H        GLY  54   3.334   5.204 -10.859
  417    HA2  GLY  54           1HA      GLY  54   5.650   5.492 -11.035
  418    HA3  GLY  54           2HA      GLY  54   5.407   6.931 -12.015
  419    H    ASP  55           H        ASP  55   3.413   7.941  -9.866
  420    HA   ASP  55           HA       ASP  55   5.086   9.678  -8.566
  421    HB2  ASP  55           1HB      ASP  55   2.546   9.737  -8.816
  422    HB3  ASP  55           2HB      ASP  55   2.452   8.640  -7.448
  423    H    THR  56           H        THR  56   5.825   9.842  -6.398
  424    HA   THR  56           HA       THR  56   6.406   7.223  -5.104
  425    HB   THR  56           HB       THR  56   7.800   9.869  -4.622
  426    HG1  THR  56           HG1      THR  56   8.204   7.854  -6.541
  427   HG21  THR  56          3HG2      THR  56   8.647   6.999  -4.133
  428   HG22  THR  56          1HG2      THR  56   8.099   8.122  -2.889
  429   HG23  THR  56          2HG2      THR  56   9.601   8.434  -3.761
  430    H    VAL  57           H        VAL  57   5.531   6.796  -3.284
  431    HA   VAL  57           HA       VAL  57   4.153   8.843  -1.595
  432    HB   VAL  57           HB       VAL  57   2.613   7.015  -0.917
  433   HG11  VAL  57          1HG1      VAL  57   2.831   7.407  -3.925
  434   HG12  VAL  57          2HG1      VAL  57   2.024   8.505  -2.804
  435   HG13  VAL  57          3HG1      VAL  57   1.385   6.882  -3.060
  436   HG21  VAL  57          3HG2      VAL  57   2.634   4.890  -2.224
  437   HG22  VAL  57          1HG2      VAL  57   4.130   5.079  -1.306
  438   HG23  VAL  57          2HG2      VAL  57   4.099   5.429  -3.030
  439    H    LYS  58           H        LYS  58   3.840   7.982   0.745
  440    HA   LYS  58           HA       LYS  58   6.315   6.640   1.710
  441    HB2  LYS  58           1HB      LYS  58   6.378   9.117   2.065
  442    HB3  LYS  58           2HB      LYS  58   4.864   9.014   2.951
  443    HG2  LYS  58           1HG      LYS  58   5.894   7.570   4.637
  444    HG3  LYS  58           2HG      LYS  58   7.405   7.523   3.732
  445    HD2  LYS  58           1HD      LYS  58   6.288  10.231   4.579
  446    HD3  LYS  58           2HD      LYS  58   7.115   9.242   5.776
  447    HE2  LYS  58           1HE      LYS  58   8.318  10.104   3.120
  448    HE3  LYS  58           2HE      LYS  58   8.665  10.834   4.684
  449    HZ1  LYS  58           3HZ      LYS  58   9.317   8.111   3.746
  450    HZ2  LYS  58           1HZ      LYS  58   9.278   8.489   5.399
  451    HZ3  LYS  58           2HZ      LYS  58  10.360   9.297   4.370
  452    H    ILE  59           H        ILE  59   5.606   4.733   2.492
  453    HA   ILE  59           HA       ILE  59   2.868   4.460   3.568
  454    HB   ILE  59           HB       ILE  59   4.099   2.885   1.778
  455   HG12  ILE  59          1HG1      ILE  59   2.807   0.826   2.995
  456   HG13  ILE  59          2HG1      ILE  59   2.189   2.114   4.020
  457   HG21  ILE  59          1HG2      ILE  59   6.014   2.479   3.401
  458   HG22  ILE  59          2HG2      ILE  59   5.331   1.040   2.654
  459   HG23  ILE  59          3HG2      ILE  59   4.937   1.460   4.311
  460   HD11  ILE  59          3HD1      ILE  59   1.467   3.304   1.908
  461   HD12  ILE  59          1HD1      ILE  59   0.637   1.779   2.211
  462   HD13  ILE  59          2HD1      ILE  59   1.934   1.859   1.019
  463    H    LYS  60           H        LYS  60   2.437   3.836   5.643
  464    HA   LYS  60           HA       LYS  60   4.689   3.281   7.506
  465    HB2  LYS  60           1HB      LYS  60   3.807   5.734   7.609
  466    HB3  LYS  60           2HB      LYS  60   2.326   5.050   8.262
  467    HG2  LYS  60           1HG      LYS  60   3.515   5.534  10.252
  468    HG3  LYS  60           2HG      LYS  60   3.929   3.845   9.997
  469    HD2  LYS  60           1HD      LYS  60   6.102   4.670  10.331
  470    HD3  LYS  60           2HD      LYS  60   6.002   4.973   8.601
  471    HE2  LYS  60           1HE      LYS  60   5.493   6.974  10.836
  472    HE3  LYS  60           2HE      LYS  60   6.830   6.987   9.687
  473    HZ1  LYS  60           3HZ      LYS  60   3.952   7.409   9.103
  474    HZ2  LYS  60           1HZ      LYS  60   5.136   7.219   7.904
  475    HZ3  LYS  60           2HZ      LYS  60   5.208   8.544   8.964
  476    H    TYR  61           H        TYR  61   4.292   1.237   8.112
  477    HA   TYR  61           HA       TYR  61   1.605   0.498   9.081
  478    HB2  TYR  61           1HB      TYR  61   1.496  -1.500   7.712
  479    HB3  TYR  61           2HB      TYR  61   1.754  -0.135   6.666
  480    HD1  TYR  61           HD1      TYR  61   3.514  -2.961   8.370
  481    HD2  TYR  61           HD2      TYR  61   3.674  -0.052   5.240
  482    HE1  TYR  61           HE1      TYR  61   5.567  -4.026   7.492
  483    HE2  TYR  61           HE2      TYR  61   5.745  -1.095   4.353
  484    HH   TYR  61           HH       TYR  61   6.677  -4.041   4.931
  485    H    LYS  62           H        LYS  62   1.583  -1.519  10.326
  486    HA   LYS  62           HA       LYS  62   4.251  -2.275  11.437
  487    HB2  LYS  62           1HB      LYS  62   1.749  -1.525  12.996
  488    HB3  LYS  62           2HB      LYS  62   3.204  -2.233  13.703
  489    HG2  LYS  62           1HG      LYS  62   4.527  -0.297  12.893
  490    HG3  LYS  62           2HG      LYS  62   3.063   0.415  12.223
  491    HD2  LYS  62           1HD      LYS  62   2.063   0.583  14.449
  492    HD3  LYS  62           2HD      LYS  62   3.443  -0.250  15.166
  493    HE2  LYS  62           1HE      LYS  62   3.644   2.179  15.499
  494    HE3  LYS  62           2HE      LYS  62   4.927   1.599  14.439
  495    HZ1  LYS  62           3HZ      LYS  62   3.402   2.229  12.551
  496    HZ2  LYS  62           1HZ      LYS  62   4.068   3.516  13.429
  497    HZ3  LYS  62           2HZ      LYS  62   2.456   3.051  13.696
  498    H    HIS  63           H        HIS  63   4.468  -4.461  11.800
  499    HA   HIS  63           HA       HIS  63   2.067  -6.189  11.626
  500    HB2  HIS  63           1HB      HIS  63   3.398  -6.206   9.478
  501    HB3  HIS  63           2HB      HIS  63   4.813  -6.729  10.391
  502    HD1  HIS  63           HD1      HIS  63   4.599  -9.108  11.608
  503    HD2  HIS  63           HD2      HIS  63   1.543  -8.236   8.907
  504    HE1  HIS  63           HE1      HIS  63   3.373 -11.279  11.187
  505    HE2  HIS  63           HE2      HIS  63   1.506 -10.772   9.545
  506    H    GLY  64           H        GLY  64   1.952  -7.465  13.418
  507    HA2  GLY  64           1HA      GLY  64   2.562  -8.569  15.345
  508    HA3  GLY  64           2HA      GLY  64   4.167  -8.738  14.639
  509    H    ASN  65           H        ASN  65   5.761  -7.775  15.750
  510    HA   ASN  65           HA       ASN  65   5.162  -5.461  17.552
  511    HB2  ASN  65           1HB      ASN  65   7.328  -7.574  17.773
  512    HB3  ASN  65           2HB      ASN  65   7.086  -6.226  18.884
  513   HD21  ASN  65          2HD2      ASN  65   6.549  -9.450  18.773
  514   HD22  ASN  65          1HD2      ASN  65   5.101  -9.544  19.656
  515    H    LYS  66           H        LYS  66   7.058  -6.623  14.874
  516    HA   LYS  66           HA       LYS  66   9.013  -4.432  15.064
  517    HB2  LYS  66           1HB      LYS  66  10.071  -5.511  13.122
  518    HB3  LYS  66           2HB      LYS  66   9.818  -6.648  14.444
  519    HG2  LYS  66           1HG      LYS  66   7.716  -7.432  13.284
  520    HG3  LYS  66           2HG      LYS  66   8.133  -6.397  11.921
  521    HD2  LYS  66           1HD      LYS  66  10.258  -7.599  11.622
  522    HD3  LYS  66           2HD      LYS  66   9.869  -8.638  12.993
  523    HE2  LYS  66           1HE      LYS  66   9.318  -9.748  10.852
  524    HE3  LYS  66           2HE      LYS  66   7.866  -9.463  11.814
  525    HZ1  LYS  66           3HZ      LYS  66   8.145  -8.739   9.252
  526    HZ2  LYS  66           1HZ      LYS  66   8.600  -7.303  10.034
  527    HZ3  LYS  66           2HZ      LYS  66   7.078  -7.992  10.341
  528    H    ASN  67           H        ASN  67   8.715  -2.522  14.148
  529    HA   ASN  67           HA       ASN  67   6.563  -2.061  12.215
  530    HB2  ASN  67           1HB      ASN  67   8.445  -0.110  13.597
  531    HB3  ASN  67           2HB      ASN  67   6.987   0.297  12.690
  532   HD21  ASN  67          2HD2      ASN  67   7.502   0.861  15.561
  533   HD22  ASN  67          1HD2      ASN  67   6.288   0.044  16.423
  534    H    GLU  68           H        GLU  68   6.922  -1.576  10.113
  535    HA   GLU  68           HA       GLU  68   9.673  -1.005   9.126
  536    HB2  GLU  68           1HB      GLU  68   7.774  -3.021   7.862
  537    HB3  GLU  68           2HB      GLU  68   9.391  -2.598   7.299
  538    HG2  GLU  68           1HG      GLU  68  10.319  -3.439   9.474
  539    HG3  GLU  68           2HG      GLU  68   8.692  -3.942   9.938
  540    H    GLU  69           H        GLU  69   9.753   0.423   7.404
  541    HA   GLU  69           HA       GLU  69   7.243   1.252   6.071
  542    HB2  GLU  69           1HB      GLU  69   7.809   3.633   6.413
  543    HB3  GLU  69           2HB      GLU  69   7.514   2.808   7.943
  544    HG2  GLU  69           1HG      GLU  69   9.982   2.537   8.235
  545    HG3  GLU  69           2HG      GLU  69  10.239   3.451   6.752
  546    H    ALA  70           H        ALA  70   7.510   1.743   3.975
  547    HA   ALA  70           HA       ALA  70  10.193   2.189   2.796
  548    HB1  ALA  70           3HB      ALA  70   9.778   0.294   1.207
  549    HB2  ALA  70           1HB      ALA  70   8.337  -0.101   2.150
  550    HB3  ALA  70           2HB      ALA  70   9.933  -0.234   2.886
  551    H    SER  71           H        SER  71  10.185   3.150   0.780
  552    HA   SER  71           HA       SER  71   7.634   4.372  -0.115
  553    HB2  SER  71           1HB      SER  71   9.035   5.774  -1.540
  554    HB3  SER  71           2HB      SER  71   9.627   5.820   0.120
  555    HG   SER  71           HG       SER  71  11.081   4.071  -0.586
  556    H    ILE  72           H        ILE  72   6.526   3.588  -1.822
  557    HA   ILE  72           HA       ILE  72   7.873   1.836  -3.829
  558    HB   ILE  72           HB       ILE  72   5.051   1.404  -2.729
  559   HG12  ILE  72          1HG1      ILE  72   6.392  -0.828  -1.866
  560   HG13  ILE  72          2HG1      ILE  72   7.726   0.316  -1.779
  561   HG21  ILE  72          1HG2      ILE  72   5.279  -0.781  -3.930
  562   HG22  ILE  72          2HG2      ILE  72   6.828  -0.243  -4.574
  563   HG23  ILE  72          3HG2      ILE  72   5.345   0.602  -5.019
  564   HD11  ILE  72          3HD1      ILE  72   6.776   0.474   0.354
  565   HD12  ILE  72          1HD1      ILE  72   5.132   0.284  -0.246
  566   HD13  ILE  72          2HD1      ILE  72   5.973   1.820  -0.458
  567    H    LYS  73           H        LYS  73   7.500   2.550  -5.893
  568    HA   LYS  73           HA       LYS  73   5.759   4.836  -6.295
  569    HB2  LYS  73           1HB      LYS  73   6.841   5.126  -8.359
  570    HB3  LYS  73           2HB      LYS  73   8.081   4.420  -7.337
  571    HG2  LYS  73           1HG      LYS  73   7.208   2.102  -8.334
  572    HG3  LYS  73           2HG      LYS  73   6.500   3.128  -9.583
  573    HD2  LYS  73           1HD      LYS  73   8.612   2.609 -10.529
  574    HD3  LYS  73           2HD      LYS  73   8.938   4.161  -9.765
  575    HE2  LYS  73           1HE      LYS  73   9.902   2.975  -7.798
  576    HE3  LYS  73           2HE      LYS  73   9.552   1.431  -8.565
  577    HZ1  LYS  73           3HZ      LYS  73  11.633   3.364  -9.145
  578    HZ2  LYS  73           1HZ      LYS  73  10.898   2.653 -10.499
  579    HZ3  LYS  73           2HZ      LYS  73  11.633   1.673  -9.321
  580    H    LEU  74           H        LEU  74   3.819   4.912  -7.538
  581    HA   LEU  74           HA       LEU  74   2.188   2.622  -7.494
  582    HB2  LEU  74           1HB      LEU  74   2.050   5.277  -8.947
  583    HB3  LEU  74           2HB      LEU  74   0.791   4.074  -9.173
  584    HG   LEU  74           HG       LEU  74   0.215   5.817  -7.477
  585   HD11  LEU  74          1HD1      LEU  74  -0.607   3.309  -7.383
  586   HD12  LEU  74          2HD1      LEU  74  -0.881   4.365  -6.010
  587   HD13  LEU  74          3HD1      LEU  74   0.430   3.193  -5.957
  588   HD21  LEU  74          3HD2      LEU  74   1.345   5.954  -5.357
  589   HD22  LEU  74          1HD2      LEU  74   2.589   6.062  -6.598
  590   HD23  LEU  74          2HD2      LEU  74   2.352   4.555  -5.714
  591    H    THR  75           H        THR  75   1.567   1.201  -9.100
  592    HA   THR  75           HA       THR  75   2.923   1.314 -11.746
  593    HB   THR  75           HB       THR  75   3.376  -1.086 -11.650
  594    HG1  THR  75           HG1      THR  75   1.547  -1.208  -9.960
  595   HG21  THR  75          3HG2      THR  75   5.072   0.547 -10.685
  596   HG22  THR  75          1HG2      THR  75   5.189  -1.092 -10.044
  597   HG23  THR  75          2HG2      THR  75   4.414   0.173  -9.092
  598    H    ALA  76           H        ALA  76   1.859   0.184 -13.390
  599    HA   ALA  76           HA       ALA  76  -1.060   0.243 -13.207
  600    HB1  ALA  76           3HB      ALA  76  -0.888  -0.416 -15.630
  601    HB2  ALA  76           1HB      ALA  76   0.862  -0.502 -15.447
  602    HB3  ALA  76           2HB      ALA  76   0.031   1.039 -15.248
  603    H    ILE  77           H        ILE  77  -2.215  -1.498 -12.560
  604    HA   ILE  77           HA       ILE  77  -1.057  -4.237 -12.806
  605    HB   ILE  77           HB       ILE  77  -2.113  -4.843 -10.751
  606   HG12  ILE  77          1HG1      ILE  77  -4.275  -3.692 -10.894
  607   HG13  ILE  77          2HG1      ILE  77  -3.488  -3.236  -9.398
  608   HG21  ILE  77          1HG2      ILE  77  -0.913  -2.072 -10.410
  609   HG22  ILE  77          2HG2      ILE  77   0.011  -3.568 -10.580
  610   HG23  ILE  77          3HG2      ILE  77  -1.023  -3.321  -9.189
  611   HD11  ILE  77          3HD1      ILE  77  -2.631  -1.159 -10.751
  612   HD12  ILE  77          1HD1      ILE  77  -4.302  -1.200 -10.204
  613   HD13  ILE  77          2HD1      ILE  77  -3.922  -1.583 -11.876
  614    H    ASP  78           H        ASP  78  -3.600  -2.186 -13.738
  615    HA   ASP  78           HA       ASP  78  -5.277  -4.494 -14.638
  616    HB2  ASP  78           1HB      ASP  78  -6.095  -1.672 -13.868
  617    HB3  ASP  78           2HB      ASP  78  -7.179  -2.897 -14.526
  618    H    LYS  79           H        LYS  79  -6.009  -4.481 -16.704
  619    HA   LYS  79           HA       LYS  79  -4.533  -3.529 -18.786
  620    HB2  LYS  79           1HB      LYS  79  -6.575  -3.973 -20.176
  621    HB3  LYS  79           2HB      LYS  79  -6.221  -5.266 -19.029
  622    HG2  LYS  79           1HG      LYS  79  -7.886  -4.274 -17.437
  623    HG3  LYS  79           2HG      LYS  79  -8.281  -3.056 -18.647
  624    HD2  LYS  79           1HD      LYS  79  -8.987  -4.833 -20.209
  625    HD3  LYS  79           2HD      LYS  79  -8.591  -6.053 -18.998
  626    HE2  LYS  79           1HE      LYS  79 -10.663  -3.856 -18.683
  627    HE3  LYS  79           2HE      LYS  79 -11.007  -5.563 -18.963
  628    HZ1  LYS  79           3HZ      LYS  79  -9.433  -5.763 -16.856
  629    HZ2  LYS  79           1HZ      LYS  79 -11.110  -5.557 -16.718
  630    HZ3  LYS  79           2HZ      LYS  79 -10.074  -4.222 -16.548
  631    H    LYS  80           H        LYS  80  -6.959  -1.737 -16.989
  632    HA   LYS  80           HA       LYS  80  -7.205   0.393 -18.965
  633    HB2  LYS  80           1HB      LYS  80  -8.469   1.498 -16.921
  634    HB3  LYS  80           2HB      LYS  80  -9.217   0.138 -17.756
  635    HG2  LYS  80           1HG      LYS  80  -8.447  -1.419 -16.039
  636    HG3  LYS  80           2HG      LYS  80  -7.541  -0.137 -15.233
  637    HD2  LYS  80           1HD      LYS  80  -9.633   1.061 -14.749
  638    HD3  LYS  80           2HD      LYS  80 -10.557  -0.164 -15.618
  639    HE2  LYS  80           1HE      LYS  80  -8.868  -0.693 -13.149
  640    HE3  LYS  80           2HE      LYS  80 -10.623  -0.541 -13.165
  641    HZ1  LYS  80           3HZ      LYS  80 -10.667  -2.702 -13.592
  642    HZ2  LYS  80           1HZ      LYS  80  -8.996  -2.768 -13.872
  643    HZ3  LYS  80           2HZ      LYS  80 -10.051  -2.352 -15.136
  644    H    GLY  81           H        GLY  81  -5.058  -0.419 -16.453
  645    HA2  GLY  81           1HA      GLY  81  -3.055   0.604 -15.898
  646    HA3  GLY  81           2HA      GLY  81  -3.489   1.991 -16.881
  647    H    THR  82           H        THR  82  -4.999   0.416 -14.041
  648    HA   THR  82           HA       THR  82  -5.613   2.975 -12.840
  649    HB   THR  82           HB       THR  82  -6.000   0.139 -11.896
  650    HG1  THR  82           HG1      THR  82  -8.101   1.842 -12.298
  651   HG21  THR  82          3HG2      THR  82  -6.667   2.801 -10.561
  652   HG22  THR  82          1HG2      THR  82  -5.836   1.410  -9.853
  653   HG23  THR  82          2HG2      THR  82  -7.562   1.320 -10.202
  654    HA   PRO  83           HA       PRO  83  -1.474   3.027 -10.777
  655    HB2  PRO  83           1HB      PRO  83  -2.849   5.038  -8.986
  656    HB3  PRO  83           2HB      PRO  83  -1.288   5.181  -9.829
  657    HG2  PRO  83           1HG      PRO  83  -3.498   6.447 -10.730
  658    HG3  PRO  83           2HG      PRO  83  -2.292   5.817 -11.824
  659    HD2  PRO  83           1HD      PRO  83  -5.019   4.746 -11.199
  660    HD3  PRO  83           2HD      PRO  83  -4.085   4.670 -12.714
  661    H    GLY  84           H        GLY  84  -1.033   1.314  -9.425
  662    HA2  GLY  84           1HA      GLY  84  -1.802   1.166  -6.741
  663    HA3  GLY  84           2HA      GLY  84  -2.960   0.193  -7.638
  664    H    ILE  85           H        ILE  85  -1.901  -1.309  -6.011
  665    HA   ILE  85           HA       ILE  85   0.373  -2.765  -7.269
  666    HB   ILE  85           HB       ILE  85   0.331  -3.735  -4.674
  667   HG12  ILE  85          1HG1      ILE  85  -1.401  -1.777  -4.181
  668   HG13  ILE  85          2HG1      ILE  85  -0.116  -2.097  -3.028
  669   HG21  ILE  85          1HG2      ILE  85   2.380  -3.153  -5.771
  670   HG22  ILE  85          2HG2      ILE  85   2.331  -2.228  -4.269
  671   HG23  ILE  85          3HG2      ILE  85   1.965  -1.441  -5.803
  672   HD11  ILE  85          3HD1      ILE  85   1.105  -0.188  -3.671
  673   HD12  ILE  85          1HD1      ILE  85  -0.569   0.362  -3.701
  674   HD13  ILE  85          2HD1      ILE  85   0.258  -0.027  -5.207
  675    H    GLY  86           H        GLY  86   0.184  -5.259  -6.637
  676    HA2  GLY  86           1HA      GLY  86  -2.495  -6.073  -7.517
  677    HA3  GLY  86           2HA      GLY  86  -1.043  -7.056  -7.477
  678    H    ILE  87           H        ILE  87  -2.428  -5.156  -4.865
  679    HA   ILE  87           HA       ILE  87  -2.735  -7.639  -3.222
  680    HB   ILE  87           HB       ILE  87  -2.429  -6.213  -1.268
  681   HG12  ILE  87          1HG1      ILE  87  -2.031  -3.883  -3.204
  682   HG13  ILE  87          2HG1      ILE  87  -3.487  -4.106  -2.251
  683   HG21  ILE  87          1HG2      ILE  87  -0.445  -7.125  -2.467
  684   HG22  ILE  87          2HG2      ILE  87  -0.071  -5.613  -1.658
  685   HG23  ILE  87          3HG2      ILE  87  -0.338  -5.646  -3.395
  686   HD11  ILE  87          3HD1      ILE  87  -2.045  -2.538  -1.101
  687   HD12  ILE  87          1HD1      ILE  87  -0.697  -3.673  -1.158
  688   HD13  ILE  87          2HD1      ILE  87  -2.117  -4.034  -0.172
  689    H    THR  88           H        THR  88  -4.355  -7.228  -1.360
  690    HA   THR  88           HA       THR  88  -6.841  -5.924  -2.377
  691    HB   THR  88           HB       THR  88  -6.594  -8.731  -1.253
  692    HG1  THR  88           HG1      THR  88  -6.274  -7.965  -3.614
  693   HG21  THR  88          3HG2      THR  88  -9.098  -8.788  -1.727
  694   HG22  THR  88          1HG2      THR  88  -9.041  -7.033  -1.879
  695   HG23  THR  88          2HG2      THR  88  -8.639  -7.803  -0.339
  696    H    LEU  89           H        LEU  89  -7.765  -4.667  -0.894
  697    HA   LEU  89           HA       LEU  89  -6.839  -4.744   1.932
  698    HB2  LEU  89           1HB      LEU  89  -8.276  -2.537   0.409
  699    HB3  LEU  89           2HB      LEU  89  -7.574  -2.416   2.022
  700    HG   LEU  89           HG       LEU  89  -6.008  -2.957  -0.534
  701   HD11  LEU  89          1HD1      LEU  89  -5.146  -0.664  -0.235
  702   HD12  LEU  89          2HD1      LEU  89  -6.200  -0.452   1.158
  703   HD13  LEU  89          3HD1      LEU  89  -6.897  -0.665  -0.444
  704   HD21  LEU  89          3HD2      LEU  89  -4.032  -2.336   1.077
  705   HD22  LEU  89          1HD2      LEU  89  -4.722  -3.947   1.203
  706   HD23  LEU  89          2HD2      LEU  89  -5.162  -2.706   2.378
  707    H    VAL  90           H        VAL  90  -8.262  -4.902   3.580
  708    HA   VAL  90           HA       VAL  90 -11.025  -5.779   2.948
  709    HB   VAL  90           HB       VAL  90 -11.012  -7.069   4.941
  710   HG11  VAL  90          1HG1      VAL  90  -9.021  -8.469   4.700
  711   HG12  VAL  90          2HG1      VAL  90  -8.173  -7.174   3.858
  712   HG13  VAL  90          3HG1      VAL  90  -9.572  -7.948   3.108
  713   HG21  VAL  90          3HG2      VAL  90  -8.644  -5.357   5.788
  714   HG22  VAL  90          1HG2      VAL  90  -8.999  -6.892   6.584
  715   HG23  VAL  90          2HG2      VAL  90 -10.169  -5.576   6.632
  716    H    ASP  91           H        ASP  91 -12.447  -5.501   4.955
  717    HA   ASP  91           HA       ASP  91 -13.599  -4.162   6.457
  718    HB2  ASP  91           1HB      ASP  91 -11.271  -3.021   6.893
  719    HB3  ASP  91           2HB      ASP  91 -11.852  -1.748   5.829
  720    H    ASP  92           H        ASP  92 -12.703  -3.183   3.223
  721    HA   ASP  92           HA       ASP  92 -14.508  -1.159   2.705
  722    HB2  ASP  92           1HB      ASP  92 -14.346  -1.927   0.338
  723    HB3  ASP  92           2HB      ASP  92 -12.775  -1.839   1.126
  724    H    LEU  93           H        LEU  93 -16.356  -1.520   1.036
  725    HA   LEU  93           HA       LEU  93 -18.494  -2.847   2.400
  726    HB2  LEU  93           1HB      LEU  93 -18.465  -1.819  -0.462
  727    HB3  LEU  93           2HB      LEU  93 -19.878  -2.069   0.563
  728    HG   LEU  93           HG       LEU  93 -17.659  -0.038   1.039
  729   HD11  LEU  93          1HD1      LEU  93 -19.419   1.626   0.548
  730   HD12  LEU  93          2HD1      LEU  93 -20.556   0.322   0.210
  731   HD13  LEU  93          3HD1      LEU  93 -19.147   0.554  -0.827
  732   HD21  LEU  93          3HD2      LEU  93 -18.435  -0.612   3.220
  733   HD22  LEU  93          1HD2      LEU  93 -20.110  -0.779   2.686
  734   HD23  LEU  93          2HD2      LEU  93 -19.367   0.818   2.814
  735    H    GLU  94           H        GLU  94 -16.552  -3.610  -0.461
  736    HA   GLU  94           HA       GLU  94 -18.009  -5.920  -1.266
  737    HB2  GLU  94           1HB      GLU  94 -15.104  -5.157  -1.719
  738    HB3  GLU  94           2HB      GLU  94 -15.942  -6.461  -2.560
  739    HG2  GLU  94           1HG      GLU  94 -17.573  -4.844  -3.460
  740    HG3  GLU  94           2HG      GLU  94 -16.753  -3.535  -2.615
  741    H    HIS  95           H        HIS  95 -18.392  -7.420   0.311
  742    HA   HIS  95           HA       HIS  95 -16.256  -8.344   2.105
  743    HB2  HIS  95           1HB      HIS  95 -18.069  -9.703   3.113
  744    HB3  HIS  95           2HB      HIS  95 -18.495  -7.995   3.030
  745    HD1  HIS  95           HD1      HIS  95 -19.422 -11.342   1.672
  746    HD2  HIS  95           HD2      HIS  95 -20.504  -7.360   1.059
  747    HE1  HIS  95           HE1      HIS  95 -21.548 -11.380   0.304
  748    HE2  HIS  95           HE2      HIS  95 -22.226  -8.964  -0.081
  749    H    HIS  96           H        HIS  96 -17.689  -9.219  -0.904
  750    HA   HIS  96           HA       HIS  96 -17.229 -12.039  -0.839
  751    HB2  HIS  96           1HB      HIS  96 -17.531 -11.903  -3.292
  752    HB3  HIS  96           2HB      HIS  96 -18.793 -11.024  -2.431
  753    HD1  HIS  96           HD1      HIS  96 -15.402 -10.264  -4.020
  754    HD2  HIS  96           HD2      HIS  96 -19.085  -8.432  -3.344
  755    HE1  HIS  96           HE1      HIS  96 -15.293  -8.006  -5.151
  756    HE2  HIS  96           HE2      HIS  96 -17.529  -6.873  -4.752
  757    H    HIS  97           H        HIS  97 -15.530 -13.252  -1.706
  758    HA   HIS  97           HA       HIS  97 -13.191 -12.005  -2.880
  759    HB2  HIS  97           1HB      HIS  97 -12.885 -11.533  -0.439
  760    HB3  HIS  97           2HB      HIS  97 -12.930 -13.265  -0.122
  761    HD1  HIS  97           HD1      HIS  97 -10.979 -10.885  -2.391
  762    HD2  HIS  97           HD2      HIS  97 -10.396 -14.377  -0.188
  763    HE1  HIS  97           HE1      HIS  97  -8.534 -11.480  -2.632
  764    HE2  HIS  97           HE2      HIS  97  -8.157 -13.606  -1.296
  765    H    HIS  98           H        HIS  98 -15.289 -14.396  -2.831
  766    HA   HIS  98           HA       HIS  98 -15.361 -16.573  -3.552
  767    HB2  HIS  98           1HB      HIS  98 -14.353 -15.486  -5.545
  768    HB3  HIS  98           2HB      HIS  98 -12.748 -15.797  -4.893
  769    HD1  HIS  98           HD1      HIS  98 -15.872 -17.798  -5.807
  770    HD2  HIS  98           HD2      HIS  98 -11.729 -18.244  -5.695
  771    HE1  HIS  98           HE1      HIS  98 -15.376 -20.087  -6.762
  772    HE2  HIS  98           HE2      HIS  98 -12.854 -20.378  -6.704
  773    H    HIS  99           H        HIS  99 -15.134 -17.573  -1.533
  774    HA   HIS  99           HA       HIS  99 -14.199 -18.919   0.075
  775    HB2  HIS  99           1HB      HIS  99 -12.292 -19.605  -2.184
  776    HB3  HIS  99           2HB      HIS  99 -12.532 -20.551  -0.717
  777    HD1  HIS  99           HD1      HIS  99 -13.924 -19.971  -4.078
  778    HD2  HIS  99           HD2      HIS  99 -15.227 -21.699  -0.510
  779    HE1  HIS  99           HE1      HIS  99 -15.967 -21.347  -4.646
  780    HE2  HIS  99           HE2      HIS  99 -16.781 -22.411  -2.492
  781    H    HIS 100           H        HIS 100 -11.891 -19.602   1.013
  782    HA   HIS 100           HA       HIS 100 -10.771 -17.265   2.134
  783    HB2  HIS 100           1HB      HIS 100 -10.724 -19.510   3.208
  784    HB3  HIS 100           2HB      HIS 100  -9.571 -20.055   1.993
  785    HD1  HIS 100           HD1      HIS 100  -7.171 -18.948   2.054
  786    HD2  HIS 100           HD2      HIS 100  -9.624 -17.928   5.269
  787    HE1  HIS 100           HE1      HIS 100  -5.665 -17.906   3.798
  788    HE2  HIS 100           HE2      HIS 100  -7.140 -17.278   5.765
  Start of MODEL    9
    1    H1   MET   1           1H       MET   1  -3.935   7.647  20.159
    2    H2   MET   1           2H       MET   1  -4.560   9.087  19.508
    3    H3   MET   1           3H       MET   1  -3.469   9.144  20.808
    4    HA   MET   1           HA       MET   1  -2.959   8.606  17.969
    5    HB2  MET   1           1HB      MET   1  -1.512  10.149  20.152
    6    HB3  MET   1           2HB      MET   1  -1.016  10.088  18.464
    7    HG2  MET   1           1HG      MET   1  -3.725  11.125  19.379
    8    HG3  MET   1           2HG      MET   1  -2.334  12.159  19.055
    9    HE1  MET   1           3HE      MET   1  -3.539  13.566  17.378
   10    HE2  MET   1           1HE      MET   1  -5.031  12.660  17.641
   11    HE3  MET   1           2HE      MET   1  -4.468  12.977  16.002
   12    H    VAL   2           H        VAL   2  -3.006   6.613  20.368
   13    HA   VAL   2           HA       VAL   2  -0.817   5.001  19.469
   14    HB   VAL   2           HB       VAL   2   0.471   6.583  20.843
   15   HG11  VAL   2          1HG1      VAL   2  -1.263   5.669  23.168
   16   HG12  VAL   2          2HG1      VAL   2  -1.378   7.242  22.380
   17   HG13  VAL   2          3HG1      VAL   2   0.088   6.795  23.249
   18   HG21  VAL   2          3HG2      VAL   2   1.116   4.144  20.767
   19   HG22  VAL   2          1HG2      VAL   2   0.229   3.901  22.274
   20   HG23  VAL   2          2HG2      VAL   2   1.636   4.959  22.240
   21    H    LYS   3           H        LYS   3  -3.414   5.657  21.712
   22    HA   LYS   3           HA       LYS   3  -3.508   3.067  22.935
   23    HB2  LYS   3           1HB      LYS   3  -5.634   5.215  22.648
   24    HB3  LYS   3           2HB      LYS   3  -5.776   3.793  23.684
   25    HG2  LYS   3           1HG      LYS   3  -3.756   4.500  24.930
   26    HG3  LYS   3           2HG      LYS   3  -3.627   5.932  23.908
   27    HD2  LYS   3           1HD      LYS   3  -5.831   6.710  24.687
   28    HD3  LYS   3           2HD      LYS   3  -5.997   5.268  25.687
   29    HE2  LYS   3           1HE      LYS   3  -5.228   7.180  27.038
   30    HE3  LYS   3           2HE      LYS   3  -3.990   5.925  26.973
   31    HZ1  LYS   3           3HZ      LYS   3  -2.660   7.173  25.635
   32    HZ2  LYS   3           1HZ      LYS   3  -3.423   8.424  26.492
   33    HZ3  LYS   3           2HZ      LYS   3  -3.951   8.021  24.928
   34    H    VAL   4           H        VAL   4  -3.839   3.763  19.798
   35    HA   VAL   4           HA       VAL   4  -4.850   2.777  17.986
   36    HB   VAL   4           HB       VAL   4  -5.280   0.449  19.895
   37   HG11  VAL   4          1HG1      VAL   4  -6.477   0.195  17.755
   38   HG12  VAL   4          2HG1      VAL   4  -5.105  -0.909  17.811
   39   HG13  VAL   4          3HG1      VAL   4  -5.001   0.580  16.870
   40   HG21  VAL   4          3HG2      VAL   4  -2.932   1.188  19.938
   41   HG22  VAL   4          1HG2      VAL   4  -2.875   1.158  18.177
   42   HG23  VAL   4          2HG2      VAL   4  -3.068  -0.343  19.080
   43    H    THR   5           H        THR   5  -6.596   4.315  18.025
   44    HA   THR   5           HA       THR   5  -8.969   3.997  19.510
   45    HB   THR   5           HB       THR   5  -8.681   5.315  16.791
   46    HG1  THR   5           HG1      THR   5  -7.203   6.304  17.991
   47   HG21  THR   5          3HG2      THR   5 -11.017   5.083  17.558
   48   HG22  THR   5          1HG2      THR   5 -10.506   6.767  17.624
   49   HG23  THR   5          2HG2      THR   5 -10.585   5.811  19.102
   50    H    TYR   6           H        TYR   6  -8.192   2.999  16.167
   51    HA   TYR   6           HA       TYR   6 -10.531   1.134  16.178
   52    HB2  TYR   6           1HB      TYR   6  -9.264   2.598  13.836
   53    HB3  TYR   6           2HB      TYR   6 -10.576   1.429  13.718
   54    HD1  TYR   6           HD2      TYR   6 -12.812   1.934  14.754
   55    HD2  TYR   6           HD1      TYR   6  -9.695   4.883  14.577
   56    HE1  TYR   6           HE2      TYR   6 -14.473   3.716  15.211
   57    HE2  TYR   6           HE1      TYR   6 -11.355   6.665  15.033
   58    HH   TYR   6           HH       TYR   6 -13.857   6.558  16.324
   59    H    ASP   7           H        ASP   7  -8.087   1.228  13.683
   60    HA   ASP   7           HA       ASP   7  -6.310  -0.731  14.652
   61    HB2  ASP   7           1HB      ASP   7  -7.192  -2.659  13.150
   62    HB3  ASP   7           2HB      ASP   7  -8.079  -2.361  14.636
   63    H    GLY   8           H        GLY   8  -7.546  -1.324  11.476
   64    HA2  GLY   8           1HA      GLY   8  -6.244   0.634   9.959
   65    HA3  GLY   8           2HA      GLY   8  -5.137  -0.721  10.163
   66    H    VAL   9           H        VAL   9  -5.312  -0.981   7.865
   67    HA   VAL   9           HA       VAL   9  -7.827  -2.331   6.940
   68    HB   VAL   9           HB       VAL   9  -7.086  -1.782   4.658
   69   HG11  VAL   9          1HG1      VAL   9  -7.139   0.620   6.511
   70   HG12  VAL   9          2HG1      VAL   9  -8.553  -0.216   5.878
   71   HG13  VAL   9          3HG1      VAL   9  -7.484   0.651   4.781
   72   HG21  VAL   9          3HG2      VAL   9  -4.665  -1.704   4.878
   73   HG22  VAL   9          1HG2      VAL   9  -4.772  -0.427   6.087
   74   HG23  VAL   9          2HG2      VAL   9  -5.186  -0.092   4.406
   75    H    TYR  10           H        TYR  10  -7.710  -4.440   6.571
   76    HA   TYR  10           HA       TYR  10  -5.173  -5.866   6.876
   77    HB2  TYR  10           1HB      TYR  10  -8.103  -6.665   6.721
   78    HB3  TYR  10           2HB      TYR  10  -6.839  -7.881   6.620
   79    HD1  TYR  10           HD2      TYR  10  -7.671  -4.854   8.735
   80    HD2  TYR  10           HD1      TYR  10  -6.278  -8.921   8.686
   81    HE1  TYR  10           HE2      TYR  10  -7.500  -4.826  11.201
   82    HE2  TYR  10           HE1      TYR  10  -6.137  -8.898  11.152
   83    HH   TYR  10           HH       TYR  10  -5.969  -6.334  12.963
   84    H    VAL  11           H        VAL  11  -4.057  -6.731   5.275
   85    HA   VAL  11           HA       VAL  11  -4.775  -6.239   2.503
   86    HB   VAL  11           HB       VAL  11  -2.463  -7.815   3.679
   87   HG11  VAL  11          1HG1      VAL  11  -2.869  -8.492   1.347
   88   HG12  VAL  11          2HG1      VAL  11  -1.449  -7.457   1.394
   89   HG13  VAL  11          3HG1      VAL  11  -2.994  -6.803   0.850
   90   HG21  VAL  11          3HG2      VAL  11  -2.459  -5.430   4.313
   91   HG22  VAL  11          1HG2      VAL  11  -2.623  -4.972   2.621
   92   HG23  VAL  11          2HG2      VAL  11  -1.157  -5.776   3.180
   93    H    LEU  12           H        LEU  12  -5.710  -7.692   1.103
   94    HA   LEU  12           HA       LEU  12  -6.762 -10.159   2.272
   95    HB2  LEU  12           1HB      LEU  12  -7.917  -8.336   0.617
   96    HB3  LEU  12           2HB      LEU  12  -7.281  -9.417  -0.606
   97    HG   LEU  12           HG       LEU  12  -9.551 -10.083  -0.087
   98   HD11  LEU  12          1HD1      LEU  12  -7.789 -12.138   1.283
   99   HD12  LEU  12          2HD1      LEU  12  -7.714 -11.851  -0.460
  100   HD13  LEU  12          3HD1      LEU  12  -9.214 -12.406   0.284
  101   HD21  LEU  12          3HD2      LEU  12  -9.048 -10.878   2.769
  102   HD22  LEU  12          1HD2      LEU  12 -10.497 -10.230   2.007
  103   HD23  LEU  12          2HD2      LEU  12  -9.199  -9.145   2.482
  104    H    SER  13           H        SER  13  -4.822  -9.267  -0.625
  105    HA   SER  13           HA       SER  13  -3.310 -11.780  -0.352
  106    HB2  SER  13           1HB      SER  13  -5.278 -12.462  -1.667
  107    HB3  SER  13           2HB      SER  13  -4.948 -11.189  -2.836
  108    HG   SER  13           HG       SER  13  -2.802 -12.813  -2.239
  109    H    VAL  14           H        VAL  14  -1.420 -11.816  -1.491
  110    HA   VAL  14           HA       VAL  14  -0.468  -9.210  -2.585
  111    HB   VAL  14           HB       VAL  14   1.127 -11.497  -1.366
  112   HG11  VAL  14          1HG1      VAL  14   2.441 -10.186  -2.985
  113   HG12  VAL  14          2HG1      VAL  14   2.969  -9.797  -1.351
  114   HG13  VAL  14          3HG1      VAL  14   1.914  -8.685  -2.224
  115   HG21  VAL  14          3HG2      VAL  14  -0.288 -10.361   0.316
  116   HG22  VAL  14          1HG2      VAL  14   0.342  -8.799  -0.208
  117   HG23  VAL  14          2HG2      VAL  14   1.412  -9.968   0.562
  118    H    LYS  15           H        LYS  15  -0.471  -9.263  -4.709
  119    HA   LYS  15           HA       LYS  15  -0.179 -11.754  -6.254
  120    HB2  LYS  15           1HB      LYS  15  -0.554  -8.868  -7.133
  121    HB3  LYS  15           2HB      LYS  15  -0.574 -10.273  -8.202
  122    HG2  LYS  15           1HG      LYS  15  -2.497 -11.199  -6.942
  123    HG3  LYS  15           2HG      LYS  15  -2.489  -9.778  -5.897
  124    HD2  LYS  15           1HD      LYS  15  -2.924  -8.328  -7.844
  125    HD3  LYS  15           2HD      LYS  15  -2.917  -9.737  -8.902
  126    HE2  LYS  15           1HE      LYS  15  -5.228  -9.107  -8.327
  127    HE3  LYS  15           2HE      LYS  15  -4.833 -10.684  -7.642
  128    HZ1  LYS  15           3HZ      LYS  15  -5.844  -8.617  -6.250
  129    HZ2  LYS  15           1HZ      LYS  15  -4.185  -8.449  -5.937
  130    HZ3  LYS  15           2HZ      LYS  15  -4.974  -9.906  -5.566
  131    H    GLU  16           H        GLU  16   1.953 -12.354  -5.824
  132    HA   GLU  16           HA       GLU  16   4.239 -10.913  -5.666
  133    HB2  GLU  16           1HB      GLU  16   5.448 -12.924  -6.412
  134    HB3  GLU  16           2HB      GLU  16   4.165 -13.320  -5.271
  135    HG2  GLU  16           1HG      GLU  16   3.853 -13.528  -8.298
  136    HG3  GLU  16           2HG      GLU  16   4.278 -14.877  -7.259
  137    H    ASP  17           H        ASP  17   6.118 -11.289  -7.390
  138    HA   ASP  17           HA       ASP  17   7.091 -10.490  -9.283
  139    HB2  ASP  17           1HB      ASP  17   5.576 -12.221 -10.351
  140    HB3  ASP  17           2HB      ASP  17   4.406 -10.943 -10.652
  141    H    VAL  18           H        VAL  18   5.712  -8.718  -7.415
  142    HA   VAL  18           HA       VAL  18   5.303  -6.357  -9.171
  143    HB   VAL  18           HB       VAL  18   3.519  -5.606  -7.596
  144   HG11  VAL  18          1HG1      VAL  18   1.788  -7.200  -8.390
  145   HG12  VAL  18          2HG1      VAL  18   3.059  -8.284  -8.905
  146   HG13  VAL  18          3HG1      VAL  18   2.894  -6.718  -9.671
  147   HG21  VAL  18          3HG2      VAL  18   3.936  -8.357  -6.370
  148   HG22  VAL  18          1HG2      VAL  18   2.548  -7.316  -6.034
  149   HG23  VAL  18          2HG2      VAL  18   4.164  -6.807  -5.577
  150    HA   PRO  19           HA       PRO  19   8.274  -4.192  -6.622
  151    HB2  PRO  19           1HB      PRO  19   6.150  -2.121  -6.078
  152    HB3  PRO  19           2HB      PRO  19   7.831  -1.875  -6.598
  153    HG2  PRO  19           1HG      PRO  19   5.804  -1.650  -8.309
  154    HG3  PRO  19           2HG      PRO  19   7.336  -2.390  -8.821
  155    HD2  PRO  19           1HD      PRO  19   4.703  -3.711  -8.237
  156    HD3  PRO  19           2HD      PRO  19   5.978  -4.196  -9.371
  157    H    ALA  20           H        ALA  20   4.975  -4.336  -5.282
  158    HA   ALA  20           HA       ALA  20   5.649  -3.906  -2.565
  159    HB1  ALA  20           3HB      ALA  20   3.374  -5.153  -2.186
  160    HB2  ALA  20           1HB      ALA  20   3.285  -5.191  -3.951
  161    HB3  ALA  20           2HB      ALA  20   3.346  -3.649  -3.104
  162    H    ALA  21           H        ALA  21   6.169  -6.640  -4.584
  163    HA   ALA  21           HA       ALA  21   6.029  -8.705  -2.655
  164    HB1  ALA  21           3HB      ALA  21   6.082  -9.025  -5.146
  165    HB2  ALA  21           1HB      ALA  21   7.252 -10.027  -4.287
  166    HB3  ALA  21           2HB      ALA  21   7.786  -8.574  -5.136
  167    H    GLY  22           H        GLY  22   7.276  -8.894  -0.896
  168    HA2  GLY  22           1HA      GLY  22   9.361  -9.316   0.167
  169    HA3  GLY  22           2HA      GLY  22  10.178  -8.316  -1.027
  170    H    ILE  23           H        ILE  23   7.461  -6.609  -0.240
  171    HA   ILE  23           HA       ILE  23   8.833  -5.056   1.914
  172    HB   ILE  23           HB       ILE  23   6.868  -4.072  -0.196
  173   HG12  ILE  23          1HG1      ILE  23   9.890  -3.664  -0.021
  174   HG13  ILE  23          2HG1      ILE  23   9.112  -4.789  -1.130
  175   HG21  ILE  23          1HG2      ILE  23   8.590  -2.596   1.838
  176   HG22  ILE  23          2HG2      ILE  23   6.836  -2.750   1.910
  177   HG23  ILE  23          3HG2      ILE  23   7.579  -1.821   0.618
  178   HD11  ILE  23          3HD1      ILE  23   9.591  -2.749  -2.329
  179   HD12  ILE  23          1HD1      ILE  23   8.785  -1.786  -1.090
  180   HD13  ILE  23          2HD1      ILE  23   7.844  -2.871  -2.116
  181    H    LEU  24           H        LEU  24   5.621  -5.910   0.603
  182    HA   LEU  24           HA       LEU  24   4.423  -5.656   3.315
  183    HB2  LEU  24           1HB      LEU  24   3.292  -5.354   0.530
  184    HB3  LEU  24           2HB      LEU  24   2.233  -5.533   1.923
  185    HG   LEU  24           HG       LEU  24   4.333  -3.302   1.771
  186   HD11  LEU  24          1HD1      LEU  24   1.403  -3.199   0.972
  187   HD12  LEU  24          2HD1      LEU  24   2.768  -3.086  -0.141
  188   HD13  LEU  24          3HD1      LEU  24   2.492  -1.823   1.037
  189   HD21  LEU  24          3HD2      LEU  24   2.817  -2.247   3.472
  190   HD22  LEU  24          1HD2      LEU  24   3.440  -3.772   4.039
  191   HD23  LEU  24          2HD2      LEU  24   1.793  -3.668   3.431
  192    H    HIS  25           H        HIS  25   2.994  -7.211   4.043
  193    HA   HIS  25           HA       HIS  25   2.818  -9.784   2.602
  194    HB2  HIS  25           1HB      HIS  25   3.513 -10.960   4.708
  195    HB3  HIS  25           2HB      HIS  25   4.807 -10.000   3.994
  196    HD1  HIS  25           HD1      HIS  25   5.705  -8.024   5.326
  197    HD2  HIS  25           HD2      HIS  25   2.380  -9.792   7.113
  198    HE1  HIS  25           HE1      HIS  25   5.533  -7.042   7.650
  199    HE2  HIS  25           HE2      HIS  25   3.505  -8.098   8.753
  200    H    ALA  26           H        ALA  26   1.164 -11.127   3.364
  201    HA   ALA  26           HA       ALA  26  -1.260  -9.915   3.940
  202    HB1  ALA  26           3HB      ALA  26  -0.414 -12.765   4.503
  203    HB2  ALA  26           1HB      ALA  26  -1.046 -12.159   2.973
  204    HB3  ALA  26           2HB      ALA  26  -2.081 -12.197   4.401
  205    H    GLY  27           H        GLY  27  -2.406  -9.451   5.773
  206    HA2  GLY  27           1HA      GLY  27  -2.980  -9.514   8.050
  207    HA3  GLY  27           2HA      GLY  27  -1.458 -10.312   8.426
  208    H    ASP  28           H        ASP  28  -0.604  -7.851   6.388
  209    HA   ASP  28           HA       ASP  28   0.413  -6.215   8.560
  210    HB2  ASP  28           1HB      ASP  28   1.753  -6.658   6.533
  211    HB3  ASP  28           2HB      ASP  28   0.558  -5.810   5.557
  212    H    LEU  29           H        LEU  29  -0.565  -4.458   9.409
  213    HA   LEU  29           HA       LEU  29  -2.944  -3.292   8.065
  214    HB2  LEU  29           1HB      LEU  29  -2.085  -2.787  10.938
  215    HB3  LEU  29           2HB      LEU  29  -3.685  -2.583  10.219
  216    HG   LEU  29           HG       LEU  29  -2.280  -5.209  10.718
  217   HD11  LEU  29          1HD1      LEU  29  -4.756  -3.991  11.957
  218   HD12  LEU  29          2HD1      LEU  29  -3.184  -4.147  12.742
  219   HD13  LEU  29          3HD1      LEU  29  -4.106  -5.590  12.323
  220   HD21  LEU  29          3HD2      LEU  29  -4.563  -6.166  10.001
  221   HD22  LEU  29          1HD2      LEU  29  -3.556  -5.537   8.714
  222   HD23  LEU  29          2HD2      LEU  29  -4.898  -4.575   9.321
  223    H    ILE  30           H        ILE  30  -2.843  -1.278   7.236
  224    HA   ILE  30           HA       ILE  30  -0.312   0.198   7.397
  225    HB   ILE  30           HB       ILE  30  -2.863   0.981   5.935
  226   HG12  ILE  30          1HG1      ILE  30  -2.223  -1.256   5.168
  227   HG13  ILE  30          2HG1      ILE  30  -1.832  -0.077   3.926
  228   HG21  ILE  30          1HG2      ILE  30  -1.261   2.242   4.519
  229   HG22  ILE  30          2HG2      ILE  30   0.048   1.764   5.583
  230   HG23  ILE  30          3HG2      ILE  30  -1.251   2.796   6.186
  231   HD11  ILE  30          3HD1      ILE  30   0.045  -1.569   5.758
  232   HD12  ILE  30          1HD1      ILE  30   0.559  -0.088   4.945
  233   HD13  ILE  30          2HD1      ILE  30   0.051  -1.483   4.000
  234    H    THR  31           H        THR  31   0.026   1.839   8.770
  235    HA   THR  31           HA       THR  31  -2.153   2.818  10.505
  236    HB   THR  31           HB       THR  31  -0.314   3.800  11.825
  237    HG1  THR  31           HG1      THR  31   1.246   2.709   9.727
  238   HG21  THR  31          3HG2      THR  31  -0.980   1.449  12.233
  239   HG22  THR  31          1HG2      THR  31   0.742   1.689  12.522
  240   HG23  THR  31          2HG2      THR  31   0.197   0.915  11.036
  241    H    GLU  32           H        GLU  32   0.302   4.053   8.226
  242    HA   GLU  32           HA       GLU  32  -1.382   6.356   7.613
  243    HB2  GLU  32           1HB      GLU  32  -0.110   7.085   9.609
  244    HB3  GLU  32           2HB      GLU  32   1.382   6.750   8.760
  245    HG2  GLU  32           1HG      GLU  32   0.869   8.433   7.072
  246    HG3  GLU  32           2HG      GLU  32  -0.698   8.728   7.817
  247    H    ILE  33           H        ILE  33  -0.787   7.436   5.686
  248    HA   ILE  33           HA       ILE  33   1.371   6.222   4.048
  249    HB   ILE  33           HB       ILE  33  -1.137   5.298   3.736
  250   HG12  ILE  33          1HG1      ILE  33   0.712   4.464   2.412
  251   HG13  ILE  33          2HG1      ILE  33  -0.640   4.792   1.336
  252   HG21  ILE  33          1HG2      ILE  33  -2.089   7.600   3.304
  253   HG22  ILE  33          2HG2      ILE  33  -2.452   6.425   2.040
  254   HG23  ILE  33          3HG2      ILE  33  -1.190   7.630   1.783
  255   HD11  ILE  33          3HD1      ILE  33   0.557   7.115   0.987
  256   HD12  ILE  33          1HD1      ILE  33   1.180   5.681   0.183
  257   HD13  ILE  33          2HD1      ILE  33   1.956   6.266   1.637
  258    H    ASP  34           H        ASP  34   2.415   7.691   2.740
  259    HA   ASP  34           HA       ASP  34   3.213   9.753   2.171
  260    HB2  ASP  34           1HB      ASP  34   1.450   9.317   0.475
  261    HB3  ASP  34           2HB      ASP  34   0.289  10.182   1.471
  262    H    GLY  35           H        GLY  35   2.234   9.475   4.961
  263    HA2  GLY  35           1HA      GLY  35   2.190  10.819   6.825
  264    HA3  GLY  35           2HA      GLY  35   2.559  12.189   5.789
  265    H    GLN  36           H        GLN  36  -0.132  10.636   4.570
  266    HA   GLN  36           HA       GLN  36  -1.924  12.759   5.432
  267    HB2  GLN  36           1HB      GLN  36  -2.399  10.326   3.681
  268    HB3  GLN  36           2HB      GLN  36  -3.531  11.655   3.900
  269    HG2  GLN  36           1HG      GLN  36  -0.721  11.967   2.784
  270    HG3  GLN  36           2HG      GLN  36  -2.178  11.866   1.798
  271   HE21  GLN  36          2HE2      GLN  36  -0.072  14.133   2.802
  272   HE22  GLN  36          1HE2      GLN  36  -1.118  15.452   3.033
  273    H    SER  37           H        SER  37  -3.386  12.663   6.999
  274    HA   SER  37           HA       SER  37  -3.456  10.612   8.917
  275    HB2  SER  37           1HB      SER  37  -5.333  11.866   9.870
  276    HB3  SER  37           2HB      SER  37  -4.070  12.976   9.347
  277    HG   SER  37           HG       SER  37  -5.264  13.360   7.470
  278    H    PHE  38           H        PHE  38  -6.669  11.257   8.424
  279    HA   PHE  38           HA       PHE  38  -8.470   9.968   7.882
  280    HB2  PHE  38           1HB      PHE  38  -6.718   8.958   5.617
  281    HB3  PHE  38           2HB      PHE  38  -8.476   8.909   5.697
  282    HD1  PHE  38           HD2      PHE  38  -9.669  11.224   6.187
  283    HD2  PHE  38           HD1      PHE  38  -5.728  10.852   4.517
  284    HE1  PHE  38           HE2      PHE  38  -9.837  13.517   5.276
  285    HE2  PHE  38           HE1      PHE  38  -5.898  13.149   3.608
  286    HZ   PHE  38           HZ       PHE  38  -7.953  14.484   3.986
  287    H    LYS  39           H        LYS  39  -9.178   7.608   7.464
  288    HA   LYS  39           HA       LYS  39  -7.293   5.595   8.405
  289    HB2  LYS  39           1HB      LYS  39  -8.317   6.829  10.458
  290    HB3  LYS  39           2HB      LYS  39  -9.822   6.025  10.043
  291    HG2  LYS  39           1HG      LYS  39  -8.907   4.436  11.545
  292    HG3  LYS  39           2HG      LYS  39  -8.279   3.812  10.020
  293    HD2  LYS  39           1HD      LYS  39  -6.151   5.087  10.425
  294    HD3  LYS  39           2HD      LYS  39  -6.802   5.628  11.967
  295    HE2  LYS  39           1HE      LYS  39  -6.983   3.287  12.714
  296    HE3  LYS  39           2HE      LYS  39  -6.334   2.749  11.165
  297    HZ1  LYS  39           3HZ      LYS  39  -4.263   3.351  11.721
  298    HZ2  LYS  39           1HZ      LYS  39  -4.832   3.283  13.317
  299    HZ3  LYS  39           2HZ      LYS  39  -4.765   4.773  12.503
  300    H    SER  40           H        SER  40 -10.842   5.914   8.400
  301    HA   SER  40           HA       SER  40 -11.781   3.543   7.716
  302    HB2  SER  40           1HB      SER  40 -13.555   4.582   6.386
  303    HB3  SER  40           2HB      SER  40 -13.163   5.604   7.767
  304    HG   SER  40           HG       SER  40 -11.736   6.749   6.289
  305    H    SER  41           H        SER  41 -11.781   2.046   6.068
  306    HA   SER  41           HA       SER  41  -9.686   2.058   4.213
  307    HB2  SER  41           1HB      SER  41 -10.840   0.133   3.190
  308    HB3  SER  41           2HB      SER  41 -10.819   0.009   4.948
  309    HG   SER  41           HG       SER  41 -12.919   0.268   3.221
  310    H    GLN  42           H        GLN  42 -13.174   2.674   3.677
  311    HA   GLN  42           HA       GLN  42 -13.194   3.129   0.981
  312    HB2  GLN  42           1HB      GLN  42 -15.174   3.167   2.503
  313    HB3  GLN  42           2HB      GLN  42 -14.695   4.768   3.056
  314    HG2  GLN  42           1HG      GLN  42 -14.925   5.640   0.750
  315    HG3  GLN  42           2HG      GLN  42 -15.374   4.033   0.190
  316   HE21  GLN  42          2HE2      GLN  42 -17.065   6.395  -0.017
  317   HE22  GLN  42          1HE2      GLN  42 -18.444   6.111   0.932
  318    H    GLU  43           H        GLU  43 -12.286   5.476   3.499
  319    HA   GLU  43           HA       GLU  43 -11.816   7.632   1.668
  320    HB2  GLU  43           1HB      GLU  43 -12.265   7.935   4.114
  321    HB3  GLU  43           2HB      GLU  43 -10.701   7.211   4.464
  322    HG2  GLU  43           1HG      GLU  43 -10.483   9.641   4.527
  323    HG3  GLU  43           2HG      GLU  43  -9.602   9.048   3.128
  324    H    PHE  44           H        PHE  44  -9.918   4.951   2.936
  325    HA   PHE  44           HA       PHE  44  -7.360   5.924   2.112
  326    HB2  PHE  44           1HB      PHE  44  -7.962   4.111   3.862
  327    HB3  PHE  44           2HB      PHE  44  -8.101   3.001   2.517
  328    HD1  PHE  44           HD2      PHE  44  -6.122   2.494   1.096
  329    HD2  PHE  44           HD1      PHE  44  -5.771   4.966   4.579
  330    HE1  PHE  44           HE2      PHE  44  -3.654   2.238   1.021
  331    HE2  PHE  44           HE1      PHE  44  -3.313   4.708   4.520
  332    HZ   PHE  44           HZ       PHE  44  -2.246   3.351   2.725
  333    H    ILE  45           H        ILE  45  -9.609   3.542   0.784
  334    HA   ILE  45           HA       ILE  45  -8.155   2.832  -1.518
  335    HB   ILE  45           HB       ILE  45 -11.180   2.916  -1.252
  336   HG12  ILE  45          1HG1      ILE  45 -10.296   1.613   0.609
  337   HG13  ILE  45          2HG1      ILE  45 -10.974   0.506  -0.553
  338   HG21  ILE  45          1HG2      ILE  45  -9.348   1.305  -3.060
  339   HG22  ILE  45          2HG2      ILE  45 -10.474   2.568  -3.562
  340   HG23  ILE  45          3HG2      ILE  45 -11.091   1.050  -2.917
  341   HD11  ILE  45          3HD1      ILE  45  -8.958  -0.513   0.049
  342   HD12  ILE  45          1HD1      ILE  45  -8.091   1.019   0.143
  343   HD13  ILE  45          2HD1      ILE  45  -8.499   0.326  -1.432
  344    H    ASP  46           H        ASP  46 -10.135   5.573  -0.774
  345    HA   ASP  46           HA       ASP  46 -10.552   6.524  -3.440
  346    HB2  ASP  46           1HB      ASP  46 -11.873   7.285  -1.466
  347    HB3  ASP  46           2HB      ASP  46 -10.451   8.127  -0.864
  348    H    TYR  47           H        TYR  47  -7.968   6.938  -1.080
  349    HA   TYR  47           HA       TYR  47  -6.557   9.038  -2.437
  350    HB2  TYR  47           1HB      TYR  47  -5.649   9.021  -0.316
  351    HB3  TYR  47           2HB      TYR  47  -6.169   7.380  -0.017
  352    HD1  TYR  47           HD2      TYR  47  -3.485   9.457  -1.576
  353    HD2  TYR  47           HD1      TYR  47  -4.617   5.519  -0.285
  354    HE1  TYR  47           HE2      TYR  47  -1.172   8.654  -1.974
  355    HE2  TYR  47           HE1      TYR  47  -2.306   4.726  -0.673
  356    HH   TYR  47           HH       TYR  47  -0.196   6.162  -2.547
  357    H    ILE  48           H        ILE  48  -6.131   5.528  -2.304
  358    HA   ILE  48           HA       ILE  48  -3.774   5.302  -3.719
  359    HB   ILE  48           HB       ILE  48  -6.090   3.344  -4.060
  360   HG12  ILE  48          1HG1      ILE  48  -3.997   3.423  -1.850
  361   HG13  ILE  48          2HG1      ILE  48  -5.691   3.835  -1.654
  362   HG21  ILE  48          1HG2      ILE  48  -4.078   3.014  -5.534
  363   HG22  ILE  48          2HG2      ILE  48  -4.285   1.696  -4.396
  364   HG23  ILE  48          3HG2      ILE  48  -3.074   2.939  -4.088
  365   HD11  ILE  48          3HD1      ILE  48  -6.308   1.524  -2.383
  366   HD12  ILE  48          1HD1      ILE  48  -5.361   1.551  -0.904
  367   HD13  ILE  48          2HD1      ILE  48  -4.594   1.119  -2.420
  368    H    HIS  49           H        HIS  49  -7.052   5.585  -5.004
  369    HA   HIS  49           HA       HIS  49  -6.184   5.448  -7.788
  370    HB2  HIS  49           1HB      HIS  49  -8.865   6.215  -6.592
  371    HB3  HIS  49           2HB      HIS  49  -8.549   5.775  -8.268
  372    HD1  HIS  49           HD1      HIS  49  -6.738   3.284  -7.778
  373    HD2  HIS  49           HD2      HIS  49 -10.321   4.022  -5.776
  374    HE1  HIS  49           HE1      HIS  49  -7.605   1.040  -7.008
  375    HE2  HIS  49           HE2      HIS  49  -9.789   1.462  -5.785
  376    H    SER  50           H        SER  50  -6.608   7.921  -5.362
  377    HA   SER  50           HA       SER  50  -7.298  10.104  -7.000
  378    HB2  SER  50           1HB      SER  50  -7.417  10.118  -4.521
  379    HB3  SER  50           2HB      SER  50  -5.661  10.160  -4.451
  380    HG   SER  50           HG       SER  50  -5.672  12.175  -5.155
  381    H    LYS  51           H        LYS  51  -4.255   8.477  -6.538
  382    HA   LYS  51           HA       LYS  51  -2.714  10.653  -7.806
  383    HB2  LYS  51           1HB      LYS  51  -1.879   8.028  -6.540
  384    HB3  LYS  51           2HB      LYS  51  -0.765   9.146  -7.320
  385    HG2  LYS  51           1HG      LYS  51  -1.638  10.961  -5.711
  386    HG3  LYS  51           2HG      LYS  51  -2.469   9.662  -4.847
  387    HD2  LYS  51           1HD      LYS  51  -0.370   8.586  -4.296
  388    HD3  LYS  51           2HD      LYS  51   0.523   9.652  -5.375
  389    HE2  LYS  51           1HE      LYS  51  -1.042  10.833  -3.059
  390    HE3  LYS  51           2HE      LYS  51   0.591  10.217  -2.823
  391    HZ1  LYS  51           3HZ      LYS  51  -0.237  12.289  -4.776
  392    HZ2  LYS  51           1HZ      LYS  51   1.326  11.643  -4.656
  393    HZ3  LYS  51           2HZ      LYS  51   0.676  12.535  -3.365
  394    H    LYS  52           H        LYS  52  -0.883   9.490  -9.236
  395    HA   LYS  52           HA       LYS  52  -2.214   7.835 -11.312
  396    HB2  LYS  52           1HB      LYS  52  -2.167  10.271 -11.918
  397    HB3  LYS  52           2HB      LYS  52  -0.408  10.216 -11.852
  398    HG2  LYS  52           1HG      LYS  52  -0.336   8.565 -13.646
  399    HG3  LYS  52           2HG      LYS  52  -2.092   8.416 -13.647
  400    HD2  LYS  52           1HD      LYS  52  -2.262  10.795 -14.336
  401    HD3  LYS  52           2HD      LYS  52  -0.501  10.898 -14.377
  402    HE2  LYS  52           1HE      LYS  52  -2.206   9.018 -16.051
  403    HE3  LYS  52           2HE      LYS  52  -1.385  10.467 -16.638
  404    HZ1  LYS  52           3HZ      LYS  52  -0.095   8.059 -15.474
  405    HZ2  LYS  52           1HZ      LYS  52   0.728   9.470 -15.933
  406    HZ3  LYS  52           2HZ      LYS  52  -0.060   8.529 -17.107
  407    H    VAL  53           H        VAL  53  -0.716   6.759 -12.748
  408    HA   VAL  53           HA       VAL  53   1.240   5.305 -11.339
  409    HB   VAL  53           HB       VAL  53   0.850   5.481 -14.346
  410   HG11  VAL  53          1HG1      VAL  53   1.762   3.151 -14.290
  411   HG12  VAL  53          2HG1      VAL  53   2.048   3.332 -12.561
  412   HG13  VAL  53          3HG1      VAL  53   2.936   4.329 -13.710
  413   HG21  VAL  53          3HG2      VAL  53  -1.273   4.956 -13.200
  414   HG22  VAL  53          1HG2      VAL  53  -0.473   3.674 -12.289
  415   HG23  VAL  53          2HG2      VAL  53  -0.660   3.535 -14.036
  416    H    GLY  54           H        GLY  54   3.400   5.425 -11.259
  417    HA2  GLY  54           1HA      GLY  54   5.582   6.066 -12.016
  418    HA3  GLY  54           2HA      GLY  54   4.888   7.414 -12.909
  419    H    ASP  55           H        ASP  55   3.336   7.353 -10.061
  420    HA   ASP  55           HA       ASP  55   4.766   9.648  -8.983
  421    HB2  ASP  55           1HB      ASP  55   2.377   8.051  -7.998
  422    HB3  ASP  55           2HB      ASP  55   2.989   9.493  -7.191
  423    H    THR  56           H        THR  56   4.773   9.399  -6.329
  424    HA   THR  56           HA       THR  56   6.106   6.914  -5.498
  425    HB   THR  56           HB       THR  56   8.023   8.144  -6.265
  426    HG1  THR  56           HG1      THR  56   7.849   8.744  -3.519
  427   HG21  THR  56          3HG2      THR  56   8.473  10.457  -5.547
  428   HG22  THR  56          1HG2      THR  56   6.941  10.491  -4.682
  429   HG23  THR  56          2HG2      THR  56   6.958  10.371  -6.440
  430    H    VAL  57           H        VAL  57   5.871   6.522  -3.365
  431    HA   VAL  57           HA       VAL  57   4.741   8.580  -1.565
  432    HB   VAL  57           HB       VAL  57   2.989   6.981  -0.823
  433   HG11  VAL  57          1HG1      VAL  57   2.487   8.731  -2.508
  434   HG12  VAL  57          2HG1      VAL  57   1.503   7.294  -2.747
  435   HG13  VAL  57          3HG1      VAL  57   2.877   7.596  -3.790
  436   HG21  VAL  57          3HG2      VAL  57   4.084   4.866  -1.532
  437   HG22  VAL  57          1HG2      VAL  57   3.930   5.353  -3.221
  438   HG23  VAL  57          2HG2      VAL  57   2.490   5.010  -2.268
  439    H    LYS  58           H        LYS  58   4.603   7.862   0.639
  440    HA   LYS  58           HA       LYS  58   6.773   5.957   1.456
  441    HB2  LYS  58           1HB      LYS  58   5.820   8.529   2.772
  442    HB3  LYS  58           2HB      LYS  58   6.987   7.418   3.482
  443    HG2  LYS  58           1HG      LYS  58   8.481   7.746   1.525
  444    HG3  LYS  58           2HG      LYS  58   7.311   8.878   0.839
  445    HD2  LYS  58           1HD      LYS  58   7.566  10.333   2.836
  446    HD3  LYS  58           2HD      LYS  58   8.762   9.210   3.486
  447    HE2  LYS  58           1HE      LYS  58   9.000  10.717   0.863
  448    HE3  LYS  58           2HE      LYS  58   9.870  11.096   2.349
  449    HZ1  LYS  58           3HZ      LYS  58  11.294   9.797   0.992
  450    HZ2  LYS  58           1HZ      LYS  58  10.091   8.635   0.708
  451    HZ3  LYS  58           2HZ      LYS  58  10.772   8.789   2.255
  452    H    ILE  59           H        ILE  59   5.958   4.201   2.480
  453    HA   ILE  59           HA       ILE  59   3.208   4.304   3.578
  454    HB   ILE  59           HB       ILE  59   3.992   2.578   1.781
  455   HG12  ILE  59          1HG1      ILE  59   2.728   1.445   4.327
  456   HG13  ILE  59          2HG1      ILE  59   1.844   2.419   3.155
  457   HG21  ILE  59          1HG2      ILE  59   6.117   1.967   3.091
  458   HG22  ILE  59          2HG2      ILE  59   5.174   0.605   2.529
  459   HG23  ILE  59          3HG2      ILE  59   5.098   1.105   4.208
  460   HD11  ILE  59          3HD1      ILE  59   3.248  -0.179   2.549
  461   HD12  ILE  59          1HD1      ILE  59   2.349   0.788   1.394
  462   HD13  ILE  59          2HD1      ILE  59   1.514   0.018   2.734
  463    H    LYS  60           H        LYS  60   2.743   3.699   5.642
  464    HA   LYS  60           HA       LYS  60   4.947   2.985   7.485
  465    HB2  LYS  60           1HB      LYS  60   4.480   5.443   7.614
  466    HB3  LYS  60           2HB      LYS  60   2.804   5.075   7.987
  467    HG2  LYS  60           1HG      LYS  60   3.450   3.924  10.031
  468    HG3  LYS  60           2HG      LYS  60   5.159   4.115   9.645
  469    HD2  LYS  60           1HD      LYS  60   4.880   6.584   9.790
  470    HD3  LYS  60           2HD      LYS  60   3.196   6.351  10.236
  471    HE2  LYS  60           1HE      LYS  60   4.536   6.683  12.258
  472    HE3  LYS  60           2HE      LYS  60   3.921   5.028  12.223
  473    HZ1  LYS  60           3HZ      LYS  60   6.364   5.344  12.758
  474    HZ2  LYS  60           1HZ      LYS  60   6.573   5.738  11.121
  475    HZ3  LYS  60           2HZ      LYS  60   5.988   4.204  11.555
  476    H    TYR  61           H        TYR  61   4.398   1.109   8.322
  477    HA   TYR  61           HA       TYR  61   1.597   0.523   9.076
  478    HB2  TYR  61           1HB      TYR  61   1.787  -1.703   8.103
  479    HB3  TYR  61           2HB      TYR  61   1.981  -0.482   6.878
  480    HD1  TYR  61           HD2      TYR  61   3.805  -2.974   8.963
  481    HD2  TYR  61           HD1      TYR  61   4.078  -0.208   5.710
  482    HE1  TYR  61           HE2      TYR  61   5.983  -3.959   8.313
  483    HE2  TYR  61           HE1      TYR  61   6.263  -1.178   5.051
  484    HH   TYR  61           HH       TYR  61   7.759  -3.773   6.979
  485    H    LYS  62           H        LYS  62   1.447  -1.315  10.579
  486    HA   LYS  62           HA       LYS  62   3.884  -1.599  12.279
  487    HB2  LYS  62           1HB      LYS  62   2.075  -0.231  13.315
  488    HB3  LYS  62           2HB      LYS  62   0.982  -1.600  13.151
  489    HG2  LYS  62           1HG      LYS  62   2.389  -2.963  14.639
  490    HG3  LYS  62           2HG      LYS  62   3.598  -1.683  14.710
  491    HD2  LYS  62           1HD      LYS  62   2.230  -1.656  16.739
  492    HD3  LYS  62           2HD      LYS  62   1.947  -0.194  15.798
  493    HE2  LYS  62           1HE      LYS  62   0.097  -2.562  15.385
  494    HE3  LYS  62           2HE      LYS  62  -0.130  -1.519  16.789
  495    HZ1  LYS  62           3HZ      LYS  62   0.292  -0.104  14.311
  496    HZ2  LYS  62           1HZ      LYS  62  -0.845   0.163  15.541
  497    HZ3  LYS  62           2HZ      LYS  62  -1.134  -1.022  14.359
  498    H    HIS  63           H        HIS  63   4.681  -3.601  11.965
  499    HA   HIS  63           HA       HIS  63   2.822  -5.900  11.666
  500    HB2  HIS  63           1HB      HIS  63   4.526  -5.576   9.861
  501    HB3  HIS  63           2HB      HIS  63   5.809  -5.703  11.066
  502    HD1  HIS  63           HD1      HIS  63   2.639  -7.776  10.684
  503    HD2  HIS  63           HD2      HIS  63   6.775  -8.305  10.699
  504    HE1  HIS  63           HE1      HIS  63   3.042 -10.269  10.572
  505    HE2  HIS  63           HE2      HIS  63   5.556 -10.616  10.580
  506    H    GLY  64           H        GLY  64   2.385  -6.656  13.661
  507    HA2  GLY  64           1HA      GLY  64   2.740  -7.714  15.673
  508    HA3  GLY  64           2HA      GLY  64   4.462  -7.761  15.310
  509    H    ASN  65           H        ASN  65   5.723  -6.555  16.604
  510    HA   ASN  65           HA       ASN  65   4.560  -4.277  18.150
  511    HB2  ASN  65           1HB      ASN  65   6.873  -6.109  18.845
  512    HB3  ASN  65           2HB      ASN  65   6.263  -4.791  19.847
  513   HD21  ASN  65          2HD2      ASN  65   3.401  -5.355  19.176
  514   HD22  ASN  65          1HD2      ASN  65   3.009  -6.782  20.008
  515    H    LYS  66           H        LYS  66   6.456  -4.864  15.517
  516    HA   LYS  66           HA       LYS  66   8.163  -2.456  15.970
  517    HB2  LYS  66           1HB      LYS  66   9.843  -3.533  14.467
  518    HB3  LYS  66           2HB      LYS  66   9.588  -4.422  15.966
  519    HG2  LYS  66           1HG      LYS  66   8.035  -5.964  14.766
  520    HG3  LYS  66           2HG      LYS  66   8.372  -5.108  13.266
  521    HD2  LYS  66           1HD      LYS  66  10.753  -5.687  13.431
  522    HD3  LYS  66           2HD      LYS  66  10.448  -6.531  14.950
  523    HE2  LYS  66           1HE      LYS  66  10.522  -8.121  13.056
  524    HE3  LYS  66           2HE      LYS  66   8.918  -8.084  13.785
  525    HZ1  LYS  66           3HZ      LYS  66   8.038  -6.935  12.023
  526    HZ2  LYS  66           1HZ      LYS  66   9.178  -7.907  11.226
  527    HZ3  LYS  66           2HZ      LYS  66   9.530  -6.277  11.548
  528    H    ASN  67           H        ASN  67   7.740  -0.841  14.659
  529    HA   ASN  67           HA       ASN  67   6.235  -1.261  12.151
  530    HB2  ASN  67           1HB      ASN  67   5.692   1.115  12.287
  531    HB3  ASN  67           2HB      ASN  67   5.242   0.304  13.782
  532   HD21  ASN  67          2HD2      ASN  67   5.721   3.140  13.625
  533   HD22  ASN  67          1HD2      ASN  67   7.096   3.490  14.557
  534    H    GLU  68           H        GLU  68   6.989  -0.559  10.245
  535    HA   GLU  68           HA       GLU  68   9.750   0.539  10.055
  536    HB2  GLU  68           1HB      GLU  68   8.529  -1.664   8.351
  537    HB3  GLU  68           2HB      GLU  68  10.139  -0.967   8.153
  538    HG2  GLU  68           1HG      GLU  68  10.735  -1.742  10.441
  539    HG3  GLU  68           2HG      GLU  68   9.135  -2.466  10.598
  540    H    GLU  69           H        GLU  69  10.146   1.445   7.856
  541    HA   GLU  69           HA       GLU  69   7.718   2.530   6.525
  542    HB2  GLU  69           1HB      GLU  69   8.594   4.206   8.161
  543    HB3  GLU  69           2HB      GLU  69  10.149   4.174   7.340
  544    HG2  GLU  69           1HG      GLU  69   9.086   4.984   5.266
  545    HG3  GLU  69           2HG      GLU  69   7.517   4.957   6.053
  546    H    ALA  70           H        ALA  70   7.871   2.620   4.390
  547    HA   ALA  70           HA       ALA  70  10.435   2.387   2.959
  548    HB1  ALA  70           3HB      ALA  70   9.744   0.058   3.400
  549    HB2  ALA  70           1HB      ALA  70   9.666   0.437   1.678
  550    HB3  ALA  70           2HB      ALA  70   8.187   0.376   2.640
  551    H    SER  71           H        SER  71  10.239   2.784   0.711
  552    HA   SER  71           HA       SER  71   7.759   4.238  -0.113
  553    HB2  SER  71           1HB      SER  71   9.150   5.782  -1.389
  554    HB3  SER  71           2HB      SER  71   9.657   5.800   0.299
  555    HG   SER  71           HG       SER  71  10.843   4.016  -1.526
  556    H    ILE  72           H        ILE  72   6.942   3.700  -2.066
  557    HA   ILE  72           HA       ILE  72   8.481   1.871  -3.833
  558    HB   ILE  72           HB       ILE  72   5.544   1.479  -3.086
  559   HG12  ILE  72          1HG1      ILE  72   6.736  -0.699  -1.942
  560   HG13  ILE  72          2HG1      ILE  72   8.065   0.434  -1.748
  561   HG21  ILE  72          1HG2      ILE  72   7.558  -0.223  -4.612
  562   HG22  ILE  72          2HG2      ILE  72   6.128   0.572  -5.273
  563   HG23  ILE  72          3HG2      ILE  72   5.955  -0.756  -4.131
  564   HD11  ILE  72          3HD1      ILE  72   6.817   0.609   0.259
  565   HD12  ILE  72          1HD1      ILE  72   5.273   0.564  -0.596
  566   HD13  ILE  72          2HD1      ILE  72   6.275   2.009  -0.668
  567    H    LYS  73           H        LYS  73   8.166   2.175  -5.987
  568    HA   LYS  73           HA       LYS  73   6.844   4.605  -6.843
  569    HB2  LYS  73           1HB      LYS  73   9.021   3.822  -7.766
  570    HB3  LYS  73           2HB      LYS  73   8.213   2.409  -8.438
  571    HG2  LYS  73           1HG      LYS  73   6.778   3.870  -9.821
  572    HG3  LYS  73           2HG      LYS  73   7.547   5.294  -9.120
  573    HD2  LYS  73           1HD      LYS  73   9.730   4.557 -10.036
  574    HD3  LYS  73           2HD      LYS  73   8.947   3.144 -10.745
  575    HE2  LYS  73           1HE      LYS  73   7.520   4.596 -12.117
  576    HE3  LYS  73           2HE      LYS  73   8.253   6.028 -11.393
  577    HZ1  LYS  73           3HZ      LYS  73   9.281   5.551 -13.495
  578    HZ2  LYS  73           1HZ      LYS  73   9.641   3.965 -13.012
  579    HZ3  LYS  73           2HZ      LYS  73  10.403   5.278 -12.249
  580    H    LEU  74           H        LEU  74   4.945   4.735  -7.892
  581    HA   LEU  74           HA       LEU  74   3.053   2.607  -7.698
  582    HB2  LEU  74           1HB      LEU  74   3.035   5.335  -8.993
  583    HB3  LEU  74           2HB      LEU  74   1.668   4.247  -9.189
  584    HG   LEU  74           HG       LEU  74   1.366   5.868  -7.312
  585   HD11  LEU  74          1HD1      LEU  74   1.472   3.369  -5.730
  586   HD12  LEU  74          2HD1      LEU  74   0.664   3.166  -7.271
  587   HD13  LEU  74          3HD1      LEU  74   0.106   4.395  -6.141
  588   HD21  LEU  74          3HD2      LEU  74   3.551   4.355  -5.836
  589   HD22  LEU  74          1HD2      LEU  74   2.716   5.816  -5.347
  590   HD23  LEU  74          2HD2      LEU  74   3.855   5.872  -6.679
  591    H    THR  75           H        THR  75   2.166   1.312  -9.248
  592    HA   THR  75           HA       THR  75   3.266   1.319 -11.984
  593    HB   THR  75           HB       THR  75   3.616  -1.115 -11.849
  594    HG1  THR  75           HG1      THR  75   2.928  -2.179 -10.182
  595   HG21  THR  75          3HG2      THR  75   5.070   0.251  -9.556
  596   HG22  THR  75          1HG2      THR  75   5.469   0.562 -11.247
  597   HG23  THR  75          2HG2      THR  75   5.677  -1.053 -10.585
  598    H    ALA  76           H        ALA  76   2.031  -0.145 -13.362
  599    HA   ALA  76           HA       ALA  76  -0.889   0.166 -12.901
  600    HB1  ALA  76           3HB      ALA  76   0.059   0.993 -15.014
  601    HB2  ALA  76           1HB      ALA  76  -1.006  -0.378 -15.330
  602    HB3  ALA  76           2HB      ALA  76   0.742  -0.596 -15.354
  603    H    ILE  77           H        ILE  77  -2.287  -1.571 -12.980
  604    HA   ILE  77           HA       ILE  77  -1.256  -4.310 -13.301
  605    HB   ILE  77           HB       ILE  77  -2.149  -5.110 -11.203
  606   HG12  ILE  77          1HG1      ILE  77  -4.074  -3.628 -10.866
  607   HG13  ILE  77          2HG1      ILE  77  -3.041  -3.578  -9.453
  608   HG21  ILE  77          1HG2      ILE  77  -0.588  -4.094  -9.642
  609   HG22  ILE  77          2HG2      ILE  77  -0.464  -2.647 -10.619
  610   HG23  ILE  77          3HG2      ILE  77   0.179  -4.178 -11.224
  611   HD11  ILE  77          3HD1      ILE  77  -3.484  -1.449 -11.534
  612   HD12  ILE  77          1HD1      ILE  77  -2.009  -1.432 -10.570
  613   HD13  ILE  77          2HD1      ILE  77  -3.586  -1.332  -9.794
  614    H    ASP  78           H        ASP  78  -3.942  -2.073 -13.088
  615    HA   ASP  78           HA       ASP  78  -5.878  -4.088 -14.047
  616    HB2  ASP  78           1HB      ASP  78  -6.248  -1.235 -13.064
  617    HB3  ASP  78           2HB      ASP  78  -7.551  -2.300 -13.581
  618    H    LYS  79           H        LYS  79  -7.081  -3.734 -15.894
  619    HA   LYS  79           HA       LYS  79  -5.850  -2.978 -18.209
  620    HB2  LYS  79           1HB      LYS  79  -8.155  -2.960 -19.177
  621    HB3  LYS  79           2HB      LYS  79  -7.867  -4.339 -18.122
  622    HG2  LYS  79           1HG      LYS  79  -8.983  -3.100 -16.236
  623    HG3  LYS  79           2HG      LYS  79  -9.313  -1.775 -17.342
  624    HD2  LYS  79           1HD      LYS  79 -11.359  -2.959 -17.415
  625    HD3  LYS  79           2HD      LYS  79 -10.525  -3.625 -18.814
  626    HE2  LYS  79           1HE      LYS  79 -11.555  -5.416 -17.481
  627    HE3  LYS  79           2HE      LYS  79  -9.803  -5.572 -17.417
  628    HZ1  LYS  79           3HZ      LYS  79 -11.297  -5.614 -15.259
  629    HZ2  LYS  79           1HZ      LYS  79 -11.086  -3.935 -15.367
  630    HZ3  LYS  79           2HZ      LYS  79  -9.733  -4.954 -15.249
  631    H    LYS  80           H        LYS  80  -7.490  -0.871 -15.941
  632    HA   LYS  80           HA       LYS  80  -7.520   1.409 -17.812
  633    HB2  LYS  80           1HB      LYS  80  -8.684   2.556 -15.880
  634    HB3  LYS  80           2HB      LYS  80  -9.517   1.140 -16.518
  635    HG2  LYS  80           1HG      LYS  80  -8.795  -0.245 -14.675
  636    HG3  LYS  80           2HG      LYS  80  -7.660   0.975 -14.116
  637    HD2  LYS  80           1HD      LYS  80  -9.671   0.967 -12.694
  638    HD3  LYS  80           2HD      LYS  80  -9.553   2.489 -13.569
  639    HE2  LYS  80           1HE      LYS  80 -11.301   1.844 -15.104
  640    HE3  LYS  80           2HE      LYS  80 -11.231   0.159 -14.579
  641    HZ1  LYS  80           3HZ      LYS  80 -13.086   1.128 -13.539
  642    HZ2  LYS  80           1HZ      LYS  80 -12.213   2.503 -13.062
  643    HZ3  LYS  80           2HZ      LYS  80 -11.897   1.002 -12.333
  644    H    GLY  81           H        GLY  81  -5.098   0.073 -16.274
  645    HA2  GLY  81           1HA      GLY  81  -3.089   0.817 -15.433
  646    HA3  GLY  81           2HA      GLY  81  -3.443   2.310 -16.283
  647    H    THR  82           H        THR  82  -5.211   0.859 -13.537
  648    HA   THR  82           HA       THR  82  -5.198   3.401 -12.159
  649    HB   THR  82           HB       THR  82  -6.336   0.698 -11.441
  650    HG1  THR  82           HG1      THR  82  -7.551   3.218 -11.895
  651   HG21  THR  82          3HG2      THR  82  -7.499   2.077  -9.585
  652   HG22  THR  82          1HG2      THR  82  -6.233   3.283  -9.822
  653   HG23  THR  82          2HG2      THR  82  -5.813   1.649  -9.284
  654    HA   PRO  83           HA       PRO  83  -1.199   2.456 -10.047
  655    HB2  PRO  83           1HB      PRO  83  -2.328   4.430  -8.040
  656    HB3  PRO  83           2HB      PRO  83  -0.711   4.385  -8.774
  657    HG2  PRO  83           1HG      PRO  83  -2.517   6.152  -9.599
  658    HG3  PRO  83           2HG      PRO  83  -1.424   5.345 -10.738
  659    HD2  PRO  83           1HD      PRO  83  -4.354   4.845 -10.305
  660    HD3  PRO  83           2HD      PRO  83  -3.383   4.746 -11.797
  661    H    GLY  84           H        GLY  84  -0.966   0.681  -8.767
  662    HA2  GLY  84           1HA      GLY  84  -2.618   0.306  -6.332
  663    HA3  GLY  84           2HA      GLY  84  -2.723  -0.931  -7.579
  664    H    ILE  85           H        ILE  85   0.256  -0.147  -8.076
  665    HA   ILE  85           HA       ILE  85   2.314  -0.937  -7.504
  666    HB   ILE  85           HB       ILE  85   1.236  -1.321  -4.685
  667   HG12  ILE  85          1HG1      ILE  85   2.591   1.158  -5.828
  668   HG13  ILE  85          2HG1      ILE  85   0.853   1.027  -5.590
  669   HG21  ILE  85          1HG2      ILE  85   4.054  -0.807  -5.693
  670   HG22  ILE  85          2HG2      ILE  85   3.447  -2.373  -5.170
  671   HG23  ILE  85          3HG2      ILE  85   3.572  -1.061  -4.014
  672   HD11  ILE  85          3HD1      ILE  85   1.843   2.176  -3.678
  673   HD12  ILE  85          1HD1      ILE  85   2.974   0.851  -3.427
  674   HD13  ILE  85          2HD1      ILE  85   1.249   0.603  -3.164
  675    H    GLY  86           H        GLY  86  -0.482  -2.843  -6.574
  676    HA2  GLY  86           1HA      GLY  86  -0.679  -5.104  -7.489
  677    HA3  GLY  86           2HA      GLY  86   1.005  -5.374  -7.067
  678    H    ILE  87           H        ILE  87  -1.466  -3.759  -5.139
  679    HA   ILE  87           HA       ILE  87  -1.636  -6.036  -3.257
  680    HB   ILE  87           HB       ILE  87  -1.267  -4.583  -1.324
  681   HG12  ILE  87          1HG1      ILE  87  -0.461  -2.379  -3.289
  682   HG13  ILE  87          2HG1      ILE  87  -2.015  -2.403  -2.476
  683   HG21  ILE  87          1HG2      ILE  87   0.671  -5.774  -2.370
  684   HG22  ILE  87          2HG2      ILE  87   1.155  -4.280  -1.571
  685   HG23  ILE  87          3HG2      ILE  87   1.007  -4.327  -3.323
  686   HD11  ILE  87          3HD1      ILE  87  -0.847  -2.427  -0.285
  687   HD12  ILE  87          1HD1      ILE  87  -0.517  -0.981  -1.238
  688   HD13  ILE  87          2HD1      ILE  87   0.688  -2.260  -1.148
  689    H    THR  88           H        THR  88  -3.358  -5.744  -1.694
  690    HA   THR  88           HA       THR  88  -5.558  -3.924  -2.539
  691    HB   THR  88           HB       THR  88  -5.935  -6.150  -3.492
  692    HG1  THR  88           HG1      THR  88  -7.858  -5.419  -3.110
  693   HG21  THR  88          3HG2      THR  88  -6.194  -7.235  -0.715
  694   HG22  THR  88          1HG2      THR  88  -4.695  -7.399  -1.633
  695   HG23  THR  88          2HG2      THR  88  -6.182  -8.128  -2.236
  696    H    LEU  89           H        LEU  89  -6.413  -2.887  -0.898
  697    HA   LEU  89           HA       LEU  89  -5.771  -3.696   1.885
  698    HB2  LEU  89           1HB      LEU  89  -6.687  -0.966   0.887
  699    HB3  LEU  89           2HB      LEU  89  -6.102  -1.367   2.492
  700    HG   LEU  89           HG       LEU  89  -4.294  -0.275   1.332
  701   HD11  LEU  89          1HD1      LEU  89  -3.774  -2.404   2.696
  702   HD12  LEU  89          2HD1      LEU  89  -2.525  -1.816   1.605
  703   HD13  LEU  89          3HD1      LEU  89  -3.509  -3.196   1.134
  704   HD21  LEU  89          3HD2      LEU  89  -4.006  -2.267  -0.907
  705   HD22  LEU  89          1HD2      LEU  89  -3.663  -0.540  -0.862
  706   HD23  LEU  89          2HD2      LEU  89  -5.319  -1.096  -1.063
  707    H    VAL  90           H        VAL  90  -7.426  -4.146   3.291
  708    HA   VAL  90           HA       VAL  90 -10.182  -3.433   2.696
  709    HB   VAL  90           HB       VAL  90  -9.166  -6.297   2.681
  710   HG11  VAL  90          1HG1      VAL  90 -11.651  -6.909   2.469
  711   HG12  VAL  90          2HG1      VAL  90 -12.005  -5.268   3.011
  712   HG13  VAL  90          3HG1      VAL  90 -11.122  -6.377   4.065
  713   HG21  VAL  90          3HG2      VAL  90 -10.558  -6.335   0.481
  714   HG22  VAL  90          1HG2      VAL  90  -9.055  -5.431   0.436
  715   HG23  VAL  90          2HG2      VAL  90 -10.589  -4.576   0.600
  716    H    ASP  91           H        ASP  91 -11.194  -3.098   4.667
  717    HA   ASP  91           HA       ASP  91  -9.802  -3.974   7.135
  718    HB2  ASP  91           1HB      ASP  91 -10.358  -1.569   6.849
  719    HB3  ASP  91           2HB      ASP  91 -12.059  -1.989   6.691
  720    H    ASP  92           H        ASP  92 -10.497  -6.184   7.137
  721    HA   ASP  92           HA       ASP  92 -13.319  -6.870   6.937
  722    HB2  ASP  92           1HB      ASP  92 -10.948  -8.531   7.864
  723    HB3  ASP  92           2HB      ASP  92 -12.554  -9.140   7.468
  724    H    LEU  93           H        LEU  93 -14.594  -6.152   8.550
  725    HA   LEU  93           HA       LEU  93 -13.744  -5.715  11.256
  726    HB2  LEU  93           1HB      LEU  93 -16.581  -5.944  10.193
  727    HB3  LEU  93           2HB      LEU  93 -16.066  -5.128  11.668
  728    HG   LEU  93           HG       LEU  93 -15.301  -4.312   8.835
  729   HD11  LEU  93          1HD1      LEU  93 -17.181  -3.011  10.829
  730   HD12  LEU  93          2HD1      LEU  93 -17.673  -3.885   9.377
  731   HD13  LEU  93          3HD1      LEU  93 -16.768  -2.379   9.235
  732   HD21  LEU  93          3HD2      LEU  93 -14.560  -3.171  11.561
  733   HD22  LEU  93          1HD2      LEU  93 -14.515  -2.175  10.101
  734   HD23  LEU  93          2HD2      LEU  93 -13.492  -3.598  10.223
  735    H    GLU  94           H        GLU  94 -12.823  -7.995  11.403
  736    HA   GLU  94           HA       GLU  94 -14.679  -9.652  12.955
  737    HB2  GLU  94           1HB      GLU  94 -14.209 -11.683  11.630
  738    HB3  GLU  94           2HB      GLU  94 -15.021 -10.459  10.655
  739    HG2  GLU  94           1HG      GLU  94 -12.786  -9.746   9.766
  740    HG3  GLU  94           2HG      GLU  94 -12.038 -11.067  10.651
  741    H    HIS  95           H        HIS  95 -12.134  -8.062  13.304
  742    HA   HIS  95           HA       HIS  95 -10.125 -10.116  13.916
  743    HB2  HIS  95           1HB      HIS  95  -9.476  -7.891  12.954
  744    HB3  HIS  95           2HB      HIS  95 -10.031  -7.117  14.437
  745    HD1  HIS  95           HD1      HIS  95  -8.533  -7.335  16.522
  746    HD2  HIS  95           HD2      HIS  95  -7.137  -9.559  13.283
  747    HE1  HIS  95           HE1      HIS  95  -6.224  -8.156  17.157
  748    HE2  HIS  95           HE2      HIS  95  -5.352  -9.505  15.193
  749    H    HIS  96           H        HIS  96 -12.806  -8.769  15.437
  750    HA   HIS  96           HA       HIS  96 -13.576  -8.739  17.603
  751    HB2  HIS  96           1HB      HIS  96 -11.548 -10.973  17.924
  752    HB3  HIS  96           2HB      HIS  96 -12.895 -10.638  19.008
  753    HD1  HIS  96           HD1      HIS  96 -12.166 -12.998  16.597
  754    HD2  HIS  96           HD2      HIS  96 -15.394 -10.393  17.011
  755    HE1  HIS  96           HE1      HIS  96 -14.062 -13.992  15.250
  756    HE2  HIS  96           HE2      HIS  96 -16.040 -12.417  15.489
  757    H    HIS  97           H        HIS  97 -12.512  -9.046  20.052
  758    HA   HIS  97           HA       HIS  97 -11.187  -6.611  20.534
  759    HB2  HIS  97           1HB      HIS  97 -11.380  -9.097  22.265
  760    HB3  HIS  97           2HB      HIS  97 -10.863  -7.513  22.842
  761    HD1  HIS  97           HD1      HIS  97 -13.897  -9.398  21.674
  762    HD2  HIS  97           HD2      HIS  97 -12.955  -5.598  23.111
  763    HE1  HIS  97           HE1      HIS  97 -16.098  -8.263  22.188
  764    HE2  HIS  97           HE2      HIS  97 -15.545  -5.946  23.066
  765    H    HIS  98           H        HIS  98  -9.929  -9.926  20.273
  766    HA   HIS  98           HA       HIS  98  -7.332  -9.010  19.440
  767    HB2  HIS  98           1HB      HIS  98  -7.179  -8.599  21.894
  768    HB3  HIS  98           2HB      HIS  98  -7.553 -10.293  22.189
  769    HD1  HIS  98           HD1      HIS  98  -5.453 -11.515  22.745
  770    HD2  HIS  98           HD2      HIS  98  -4.795  -8.632  19.808
  771    HE1  HIS  98           HE1      HIS  98  -3.021 -11.713  22.085
  772    HE2  HIS  98           HE2      HIS  98  -2.599  -9.963  20.294
  773    H    HIS  99           H        HIS  99  -8.478 -11.822  21.314
  774    HA   HIS  99           HA       HIS  99  -8.406 -14.073  20.880
  775    HB2  HIS  99           1HB      HIS  99 -10.205 -13.363  19.308
  776    HB3  HIS  99           2HB      HIS  99  -8.992 -13.152  18.045
  777    HD1  HIS  99           HD1      HIS  99  -7.952 -15.290  17.008
  778    HD2  HIS  99           HD2      HIS  99 -10.797 -16.083  19.956
  779    HE1  HIS  99           HE1      HIS  99  -8.464 -17.763  16.870
  780    HE2  HIS  99           HE2      HIS  99 -10.194 -18.271  18.655
  781    H    HIS 100           H        HIS 100  -6.168 -14.297  21.344
  782    HA   HIS 100           HA       HIS 100  -3.997 -14.899  20.949
  783    HB2  HIS 100           1HB      HIS 100  -5.132 -16.762  19.762
  784    HB3  HIS 100           2HB      HIS 100  -5.107 -15.820  18.275
  785    HD1  HIS 100           HD1      HIS 100  -2.681 -17.291  20.815
  786    HD2  HIS 100           HD2      HIS 100  -2.728 -16.035  16.838
  787    HE1  HIS 100           HE1      HIS 100  -0.420 -17.888  19.850
  788    HE2  HIS 100           HE2      HIS 100  -0.428 -17.132  17.427
  Start of MODEL   10
    1    H1   MET   1           1H       MET   1  -4.660  -3.515  21.374
    2    H2   MET   1           2H       MET   1  -5.075  -5.130  21.052
    3    H3   MET   1           3H       MET   1  -3.849  -4.772  22.172
    4    HA   MET   1           HA       MET   1  -6.739  -4.723  22.486
    5    HB2  MET   1           1HB      MET   1  -5.215  -6.379  23.575
    6    HB3  MET   1           2HB      MET   1  -4.421  -5.059  24.432
    7    HG2  MET   1           1HG      MET   1  -6.538  -4.493  25.558
    8    HG3  MET   1           2HG      MET   1  -7.372  -5.755  24.652
    9    HE1  MET   1           3HE      MET   1  -8.259  -6.785  26.944
   10    HE2  MET   1           1HE      MET   1  -7.461  -5.388  27.678
   11    HE3  MET   1           2HE      MET   1  -7.213  -7.000  28.344
   12    H    VAL   2           H        VAL   2  -7.507  -2.643  22.309
   13    HA   VAL   2           HA       VAL   2  -7.897  -0.440  22.807
   14    HB   VAL   2           HB       VAL   2  -6.658  -1.177  25.484
   15   HG11  VAL   2          1HG1      VAL   2  -8.655   0.975  24.680
   16   HG12  VAL   2          2HG1      VAL   2  -6.999   1.246  25.224
   17   HG13  VAL   2          3HG1      VAL   2  -8.195   0.598  26.342
   18   HG21  VAL   2          3HG2      VAL   2  -9.526  -1.436  24.503
   19   HG22  VAL   2          1HG2      VAL   2  -8.981  -1.734  26.154
   20   HG23  VAL   2          2HG2      VAL   2  -8.430  -2.775  24.846
   21    H    LYS   3           H        LYS   3  -6.604   0.764  21.494
   22    HA   LYS   3           HA       LYS   3  -4.001   1.731  22.570
   23    HB2  LYS   3           1HB      LYS   3  -4.534   0.777  19.731
   24    HB3  LYS   3           2HB      LYS   3  -3.071   1.615  20.256
   25    HG2  LYS   3           1HG      LYS   3  -2.617  -0.204  21.879
   26    HG3  LYS   3           2HG      LYS   3  -4.068  -1.045  21.331
   27    HD2  LYS   3           1HD      LYS   3  -3.117  -1.187  19.045
   28    HD3  LYS   3           2HD      LYS   3  -1.658  -0.373  19.613
   29    HE2  LYS   3           1HE      LYS   3  -2.710  -3.032  20.634
   30    HE3  LYS   3           2HE      LYS   3  -1.326  -2.817  19.564
   31    HZ1  LYS   3           3HZ      LYS   3  -0.291  -2.896  21.576
   32    HZ2  LYS   3           1HZ      LYS   3  -1.586  -2.193  22.415
   33    HZ3  LYS   3           2HZ      LYS   3  -0.561  -1.222  21.470
   34    H    VAL   4           H        VAL   4  -3.327   3.749  21.600
   35    HA   VAL   4           HA       VAL   4  -5.355   5.694  21.601
   36    HB   VAL   4           HB       VAL   4  -3.006   6.143  22.190
   37   HG11  VAL   4          1HG1      VAL   4  -2.422   5.909  19.213
   38   HG12  VAL   4          2HG1      VAL   4  -1.976   4.705  20.421
   39   HG13  VAL   4          3HG1      VAL   4  -1.273   6.319  20.483
   40   HG21  VAL   4          3HG2      VAL   4  -2.800   8.320  21.099
   41   HG22  VAL   4          1HG2      VAL   4  -4.502   8.012  21.439
   42   HG23  VAL   4          2HG2      VAL   4  -3.879   7.820  19.801
   43    H    THR   5           H        THR   5  -3.779   3.981  18.942
   44    HA   THR   5           HA       THR   5  -4.877   5.577  16.838
   45    HB   THR   5           HB       THR   5  -4.017   2.668  16.655
   46    HG1  THR   5           HG1      THR   5  -2.615   4.725  17.487
   47   HG21  THR   5          3HG2      THR   5  -5.037   3.533  14.606
   48   HG22  THR   5          1HG2      THR   5  -3.301   3.358  14.375
   49   HG23  THR   5          2HG2      THR   5  -3.992   4.952  14.657
   50    H    TYR   6           H        TYR   6  -6.512   4.935  15.350
   51    HA   TYR   6           HA       TYR   6  -8.908   3.912  16.624
   52    HB2  TYR   6           1HB      TYR   6  -8.348   4.777  13.762
   53    HB3  TYR   6           2HB      TYR   6  -9.943   4.384  14.400
   54    HD1  TYR   6           HD2      TYR   6 -11.049   5.871  16.040
   55    HD2  TYR   6           HD1      TYR   6  -7.178   6.838  14.448
   56    HE1  TYR   6           HE2      TYR   6 -11.269   8.183  16.908
   57    HE2  TYR   6           HE1      TYR   6  -7.398   9.149  15.315
   58    HH   TYR   6           HH       TYR   6  -8.588  10.477  16.715
   59    H    ASP   7           H        ASP   7  -8.162   3.009  13.328
   60    HA   ASP   7           HA       ASP   7  -7.814   0.147  14.044
   61    HB2  ASP   7           1HB      ASP   7 -10.219   0.526  13.584
   62    HB3  ASP   7           2HB      ASP   7  -9.813   1.207  12.012
   63    H    GLY   8           H        GLY   8  -8.492   0.643  10.788
   64    HA2  GLY   8           1HA      GLY   8  -6.419   1.678   9.436
   65    HA3  GLY   8           2HA      GLY   8  -5.711   0.161  10.014
   66    H    VAL   9           H        VAL   9  -5.554  -0.428   7.770
   67    HA   VAL   9           HA       VAL   9  -8.084  -1.636   6.721
   68    HB   VAL   9           HB       VAL   9  -7.125  -1.170   4.403
   69   HG11  VAL   9          1HG1      VAL   9  -7.885   1.180   4.361
   70   HG12  VAL   9          2HG1      VAL   9  -7.790   1.240   6.123
   71   HG13  VAL   9          3HG1      VAL   9  -8.962   0.181   5.335
   72   HG21  VAL   9          3HG2      VAL   9  -5.469   0.695   4.243
   73   HG22  VAL   9          1HG2      VAL   9  -4.784  -0.701   5.057
   74   HG23  VAL   9          2HG2      VAL   9  -5.311   0.695   5.990
   75    H    TYR  10           H        TYR  10  -7.900  -3.799   6.479
   76    HA   TYR  10           HA       TYR  10  -5.282  -5.055   6.843
   77    HB2  TYR  10           1HB      TYR  10  -7.821  -6.646   6.376
   78    HB3  TYR  10           2HB      TYR  10  -6.496  -6.971   7.488
   79    HD1  TYR  10           HD1      TYR  10  -6.299  -4.375   8.974
   80    HD2  TYR  10           HD2      TYR  10  -9.756  -6.619   7.775
   81    HE1  TYR  10           HE1      TYR  10  -7.578  -3.389  10.842
   82    HE2  TYR  10           HE2      TYR  10 -11.039  -5.634   9.645
   83    HH   TYR  10           HH       TYR  10 -10.283  -2.982  11.204
   84    H    VAL  11           H        VAL  11  -4.111  -5.830   5.237
   85    HA   VAL  11           HA       VAL  11  -4.990  -5.716   2.457
   86    HB   VAL  11           HB       VAL  11  -2.426  -6.851   3.640
   87   HG11  VAL  11          1HG1      VAL  11  -1.569  -6.542   1.292
   88   HG12  VAL  11          2HG1      VAL  11  -3.209  -6.147   0.782
   89   HG13  VAL  11          3HG1      VAL  11  -2.837  -7.758   1.394
   90   HG21  VAL  11          3HG2      VAL  11  -3.039  -4.150   2.378
   91   HG22  VAL  11          1HG2      VAL  11  -1.452  -4.688   2.930
   92   HG23  VAL  11          2HG2      VAL  11  -2.751  -4.434   4.093
   93    H    LEU  12           H        LEU  12  -5.737  -7.441   1.213
   94    HA   LEU  12           HA       LEU  12  -6.595  -9.820   2.650
   95    HB2  LEU  12           1HB      LEU  12  -7.785  -8.436   0.704
   96    HB3  LEU  12           2HB      LEU  12  -6.856  -9.477  -0.359
   97    HG   LEU  12           HG       LEU  12  -8.834 -10.381   1.776
   98   HD11  LEU  12          1HD1      LEU  12  -9.889  -9.406  -0.233
   99   HD12  LEU  12          2HD1      LEU  12 -10.180 -11.143  -0.149
  100   HD13  LEU  12          3HD1      LEU  12  -8.966 -10.506  -1.258
  101   HD21  LEU  12          3HD2      LEU  12  -8.469 -12.672   0.651
  102   HD22  LEU  12          1HD2      LEU  12  -7.172 -12.088   1.677
  103   HD23  LEU  12          2HD2      LEU  12  -7.021 -11.976  -0.075
  104    H    SER  13           H        SER  13  -4.463  -9.150  -0.161
  105    HA   SER  13           HA       SER  13  -2.691 -11.340   0.581
  106    HB2  SER  13           1HB      SER  13  -2.943 -12.547  -1.521
  107    HB3  SER  13           2HB      SER  13  -4.503 -12.469  -0.704
  108    HG   SER  13           HG       SER  13  -3.684 -10.535  -2.602
  109    H    VAL  14           H        VAL  14  -0.747 -11.309  -0.524
  110    HA   VAL  14           HA       VAL  14  -0.096  -8.790  -1.999
  111    HB   VAL  14           HB       VAL  14   1.711 -10.605  -0.348
  112   HG11  VAL  14          1HG1      VAL  14   2.974  -9.506  -2.147
  113   HG12  VAL  14          2HG1      VAL  14   3.352  -8.718  -0.621
  114   HG13  VAL  14          3HG1      VAL  14   2.236  -7.954  -1.754
  115   HG21  VAL  14          3HG2      VAL  14   0.597  -7.834   0.223
  116   HG22  VAL  14          1HG2      VAL  14   1.739  -8.711   1.242
  117   HG23  VAL  14          2HG2      VAL  14   0.104  -9.325   1.025
  118    H    LYS  15           H        LYS  15   0.799  -8.941  -3.949
  119    HA   LYS  15           HA       LYS  15   1.063 -11.632  -5.229
  120    HB2  LYS  15           1HB      LYS  15   0.926  -8.835  -6.417
  121    HB3  LYS  15           2HB      LYS  15   1.061 -10.327  -7.350
  122    HG2  LYS  15           1HG      LYS  15  -1.065 -11.132  -6.379
  123    HG3  LYS  15           2HG      LYS  15  -1.201  -9.645  -5.440
  124    HD2  LYS  15           1HD      LYS  15  -1.270  -8.332  -7.544
  125    HD3  LYS  15           2HD      LYS  15  -1.176  -9.831  -8.473
  126    HE2  LYS  15           1HE      LYS  15  -3.381  -9.080  -6.525
  127    HE3  LYS  15           2HE      LYS  15  -3.520  -9.098  -8.283
  128    HZ1  LYS  15           3HZ      LYS  15  -3.738 -11.252  -6.445
  129    HZ2  LYS  15           1HZ      LYS  15  -2.519 -11.569  -7.582
  130    HZ3  LYS  15           2HZ      LYS  15  -4.097 -11.219  -8.106
  131    H    GLU  16           H        GLU  16   3.098 -12.485  -5.391
  132    HA   GLU  16           HA       GLU  16   5.425 -10.841  -4.830
  133    HB2  GLU  16           1HB      GLU  16   6.623 -13.071  -5.019
  134    HB3  GLU  16           2HB      GLU  16   5.399 -12.987  -3.756
  135    HG2  GLU  16           1HG      GLU  16   4.560 -14.000  -6.496
  136    HG3  GLU  16           2HG      GLU  16   5.472 -15.076  -5.449
  137    H    ASP  17           H        ASP  17   4.752  -9.634  -6.986
  138    HA   ASP  17           HA       ASP  17   6.756 -10.304  -8.950
  139    HB2  ASP  17           1HB      ASP  17   4.879 -11.833  -9.606
  140    HB3  ASP  17           2HB      ASP  17   3.830 -10.429  -9.787
  141    H    VAL  18           H        VAL  18   5.830  -8.129  -7.128
  142    HA   VAL  18           HA       VAL  18   5.822  -5.882  -9.060
  143    HB   VAL  18           HB       VAL  18   4.071  -4.880  -7.236
  144   HG11  VAL  18          1HG1      VAL  18   2.188  -5.607  -8.647
  145   HG12  VAL  18          2HG1      VAL  18   3.211  -6.829  -9.402
  146   HG13  VAL  18          3HG1      VAL  18   3.562  -5.115  -9.636
  147   HG21  VAL  18          3HG2      VAL  18   4.276  -7.046  -5.861
  148   HG22  VAL  18          1HG2      VAL  18   3.362  -7.842  -7.143
  149   HG23  VAL  18          2HG2      VAL  18   2.639  -6.536  -6.223
  150    HA   PRO  19           HA       PRO  19   8.817  -4.141  -6.293
  151    HB2  PRO  19           1HB      PRO  19   7.880  -1.529  -5.831
  152    HB3  PRO  19           2HB      PRO  19   8.818  -2.030  -7.242
  153    HG2  PRO  19           1HG      PRO  19   5.821  -1.756  -6.963
  154    HG3  PRO  19           2HG      PRO  19   6.888  -1.255  -8.298
  155    HD2  PRO  19           1HD      PRO  19   5.483  -3.532  -8.529
  156    HD3  PRO  19           2HD      PRO  19   7.161  -3.497  -9.086
  157    H    ALA  20           H        ALA  20   5.453  -4.032  -5.296
  158    HA   ALA  20           HA       ALA  20   5.910  -3.403  -2.534
  159    HB1  ALA  20           3HB      ALA  20   3.610  -4.195  -2.190
  160    HB2  ALA  20           1HB      ALA  20   3.600  -4.892  -3.812
  161    HB3  ALA  20           2HB      ALA  20   3.705  -3.145  -3.603
  162    H    ALA  21           H        ALA  21   6.559  -6.171  -4.374
  163    HA   ALA  21           HA       ALA  21   6.113  -8.205  -2.432
  164    HB1  ALA  21           3HB      ALA  21   7.366  -9.605  -3.990
  165    HB2  ALA  21           1HB      ALA  21   7.957  -8.177  -4.845
  166    HB3  ALA  21           2HB      ALA  21   6.244  -8.576  -4.886
  167    H    GLY  22           H        GLY  22   7.415  -8.957  -0.873
  168    HA2  GLY  22           1HA      GLY  22   9.364  -9.456   0.298
  169    HA3  GLY  22           2HA      GLY  22  10.294  -8.479  -0.829
  170    H    ILE  23           H        ILE  23   7.771  -6.532   0.002
  171    HA   ILE  23           HA       ILE  23   9.264  -5.238   2.240
  172    HB   ILE  23           HB       ILE  23   7.386  -4.007   0.182
  173   HG12  ILE  23          1HG1      ILE  23  10.431  -3.845   0.348
  174   HG13  ILE  23          2HG1      ILE  23   9.560  -4.851  -0.799
  175   HG21  ILE  23          1HG2      ILE  23   7.454  -2.769   2.318
  176   HG22  ILE  23          2HG2      ILE  23   8.281  -1.863   1.068
  177   HG23  ILE  23          3HG2      ILE  23   9.214  -2.757   2.264
  178   HD11  ILE  23          3HD1      ILE  23   9.561  -1.830  -0.655
  179   HD12  ILE  23          1HD1      ILE  23   8.412  -2.739  -1.638
  180   HD13  ILE  23          2HD1      ILE  23  10.136  -2.852  -1.972
  181    H    LEU  24           H        LEU  24   5.998  -5.733   0.891
  182    HA   LEU  24           HA       LEU  24   4.772  -5.419   3.583
  183    HB2  LEU  24           1HB      LEU  24   3.742  -5.099   0.749
  184    HB3  LEU  24           2HB      LEU  24   2.619  -5.219   2.097
  185    HG   LEU  24           HG       LEU  24   4.860  -3.141   2.139
  186   HD11  LEU  24          1HD1      LEU  24   3.291  -1.487   1.177
  187   HD12  LEU  24          2HD1      LEU  24   2.104  -2.765   0.910
  188   HD13  LEU  24          3HD1      LEU  24   3.629  -2.778   0.026
  189   HD21  LEU  24          3HD2      LEU  24   3.615  -3.496   4.257
  190   HD22  LEU  24          1HD2      LEU  24   2.088  -3.248   3.420
  191   HD23  LEU  24          2HD2      LEU  24   3.230  -1.927   3.593
  192    H    HIS  25           H        HIS  25   3.277  -6.921   4.331
  193    HA   HIS  25           HA       HIS  25   3.219  -9.594   2.999
  194    HB2  HIS  25           1HB      HIS  25   4.778  -9.519   4.976
  195    HB3  HIS  25           2HB      HIS  25   3.414  -9.071   5.996
  196    HD1  HIS  25           HD1      HIS  25   1.488 -10.895   6.256
  197    HD2  HIS  25           HD2      HIS  25   4.913 -12.236   4.293
  198    HE1  HIS  25           HE1      HIS  25   1.320 -13.414   6.161
  199    HE2  HIS  25           HE2      HIS  25   3.396 -14.257   4.969
  200    H    ALA  26           H        ALA  26   1.265 -10.602   2.983
  201    HA   ALA  26           HA       ALA  26  -1.117  -9.234   3.130
  202    HB1  ALA  26           3HB      ALA  26  -2.221 -11.416   3.131
  203    HB2  ALA  26           1HB      ALA  26  -0.736 -12.192   3.690
  204    HB3  ALA  26           2HB      ALA  26  -0.798 -11.467   2.087
  205    H    GLY  27           H        GLY  27  -2.666  -8.825   4.643
  206    HA2  GLY  27           1HA      GLY  27  -3.783  -8.870   6.693
  207    HA3  GLY  27           2HA      GLY  27  -2.542  -9.922   7.360
  208    H    ASP  28           H        ASP  28  -0.779  -7.607   5.921
  209    HA   ASP  28           HA       ASP  28  -0.032  -6.294   8.335
  210    HB2  ASP  28           1HB      ASP  28   1.543  -6.524   6.486
  211    HB3  ASP  28           2HB      ASP  28   0.508  -5.547   5.445
  212    H    LEU  29           H        LEU  29  -0.763  -4.457   9.266
  213    HA   LEU  29           HA       LEU  29  -3.094  -3.076   8.071
  214    HB2  LEU  29           1HB      LEU  29  -1.902  -2.796  10.870
  215    HB3  LEU  29           2HB      LEU  29  -3.404  -2.080  10.278
  216    HG   LEU  29           HG       LEU  29  -4.040  -4.641   9.728
  217   HD11  LEU  29          1HD1      LEU  29  -2.104  -4.957  12.048
  218   HD12  LEU  29          2HD1      LEU  29  -1.882  -5.630  10.439
  219   HD13  LEU  29          3HD1      LEU  29  -3.196  -6.204  11.449
  220   HD21  LEU  29          3HD2      LEU  29  -5.266  -3.144  11.282
  221   HD22  LEU  29          1HD2      LEU  29  -4.129  -3.556  12.562
  222   HD23  LEU  29          2HD2      LEU  29  -5.187  -4.795  11.885
  223    H    ILE  30           H        ILE  30  -2.974  -0.996   7.371
  224    HA   ILE  30           HA       ILE  30  -0.323   0.295   7.299
  225    HB   ILE  30           HB       ILE  30  -2.916   1.136   5.952
  226   HG12  ILE  30          1HG1      ILE  30  -2.339  -1.120   5.189
  227   HG13  ILE  30          2HG1      ILE  30  -2.021   0.042   3.916
  228   HG21  ILE  30          1HG2      ILE  30  -1.241   2.922   6.119
  229   HG22  ILE  30          2HG2      ILE  30  -1.378   2.374   4.462
  230   HG23  ILE  30          3HG2      ILE  30  -0.013   1.860   5.435
  231   HD11  ILE  30          3HD1      ILE  30  -0.173  -1.430   3.902
  232   HD12  ILE  30          1HD1      ILE  30  -0.024  -1.418   5.652
  233   HD13  ILE  30          2HD1      ILE  30   0.429   0.006   4.712
  234    H    THR  31           H        THR  31   0.146   1.990   8.513
  235    HA   THR  31           HA       THR  31  -1.754   3.001  10.494
  236    HB   THR  31           HB       THR  31   0.260   4.210  11.353
  237    HG1  THR  31           HG1      THR  31   1.458   4.559   9.577
  238   HG21  THR  31          3HG2      THR  31  -0.188   1.944  12.166
  239   HG22  THR  31          1HG2      THR  31   1.549   2.175  11.982
  240   HG23  THR  31          2HG2      THR  31   0.650   1.250  10.776
  241    H    GLU  32           H        GLU  32   0.400   4.443   7.994
  242    HA   GLU  32           HA       GLU  32  -1.640   6.427   7.317
  243    HB2  GLU  32           1HB      GLU  32  -0.483   7.339   9.333
  244    HB3  GLU  32           2HB      GLU  32   1.045   7.278   8.458
  245    HG2  GLU  32           1HG      GLU  32   0.246   8.901   6.828
  246    HG3  GLU  32           2HG      GLU  32  -1.378   8.859   7.509
  247    H    ILE  33           H        ILE  33  -1.035   7.735   5.435
  248    HA   ILE  33           HA       ILE  33   1.296   6.848   3.873
  249    HB   ILE  33           HB       ILE  33  -0.590   5.341   3.221
  250   HG12  ILE  33          1HG1      ILE  33   0.092   7.295   0.971
  251   HG13  ILE  33          2HG1      ILE  33   1.216   6.088   1.572
  252   HG21  ILE  33          1HG2      ILE  33  -2.540   6.222   2.054
  253   HG22  ILE  33          2HG2      ILE  33  -1.927   7.869   2.176
  254   HG23  ILE  33          3HG2      ILE  33  -2.428   7.004   3.632
  255   HD11  ILE  33          3HD1      ILE  33   0.091   5.216  -0.390
  256   HD12  ILE  33          1HD1      ILE  33  -1.486   5.515   0.339
  257   HD13  ILE  33          2HD1      ILE  33  -0.400   4.304   1.018
  258    H    ASP  34           H        ASP  34   2.054   8.454   2.441
  259    HA   ASP  34           HA       ASP  34   2.500  10.642   1.922
  260    HB2  ASP  34           1HB      ASP  34   0.691   9.961   0.332
  261    HB3  ASP  34           2HB      ASP  34  -0.493  10.693   1.407
  262    H    GLY  35           H        GLY  35   1.428  10.071   4.764
  263    HA2  GLY  35           1HA      GLY  35   1.189  11.338   6.669
  264    HA3  GLY  35           2HA      GLY  35   1.549  12.768   5.711
  265    H    GLN  36           H        GLN  36  -0.965  11.087   4.257
  266    HA   GLN  36           HA       GLN  36  -3.145  12.392   5.780
  267    HB2  GLN  36           1HB      GLN  36  -2.770  12.724   2.788
  268    HB3  GLN  36           2HB      GLN  36  -4.105  13.358   3.741
  269    HG2  GLN  36           1HG      GLN  36  -1.188  14.167   4.005
  270    HG3  GLN  36           2HG      GLN  36  -2.460  15.120   3.260
  271   HE21  GLN  36          2HE2      GLN  36  -4.528  14.516   5.261
  272   HE22  GLN  36          1HE2      GLN  36  -4.071  15.319   6.684
  273    H    SER  37           H        SER  37  -5.289  11.683   5.045
  274    HA   SER  37           HA       SER  37  -6.834  10.061   4.630
  275    HB2  SER  37           1HB      SER  37  -5.895  10.313   2.325
  276    HB3  SER  37           2HB      SER  37  -4.853   8.936   2.643
  277    HG   SER  37           HG       SER  37  -7.272   8.839   1.767
  278    H    PHE  38           H        PHE  38  -7.026   8.888   6.424
  279    HA   PHE  38           HA       PHE  38  -6.064   6.211   6.551
  280    HB2  PHE  38           1HB      PHE  38  -4.660   6.480   8.616
  281    HB3  PHE  38           2HB      PHE  38  -3.944   7.189   7.178
  282    HD1  PHE  38           HD1      PHE  38  -5.709   7.940  10.350
  283    HD2  PHE  38           HD2      PHE  38  -3.695   9.616   6.946
  284    HE1  PHE  38           HE1      PHE  38  -5.626  10.143  11.481
  285    HE2  PHE  38           HE2      PHE  38  -3.614  11.818   8.075
  286    HZ   PHE  38           HZ       PHE  38  -4.579  12.084  10.347
  287    H    LYS  39           H        LYS  39  -7.774   8.887   7.869
  288    HA   LYS  39           HA       LYS  39  -8.590   7.977  10.362
  289    HB2  LYS  39           1HB      LYS  39 -10.172   9.500   8.277
  290    HB3  LYS  39           2HB      LYS  39 -10.597   9.402   9.988
  291    HG2  LYS  39           1HG      LYS  39  -8.432  10.447  10.578
  292    HG3  LYS  39           2HG      LYS  39  -8.023  10.557   8.863
  293    HD2  LYS  39           1HD      LYS  39 -10.011  11.997   8.489
  294    HD3  LYS  39           2HD      LYS  39 -10.393  11.902  10.208
  295    HE2  LYS  39           1HE      LYS  39  -8.214  12.938  10.746
  296    HE3  LYS  39           2HE      LYS  39  -7.849  13.042   9.023
  297    HZ1  LYS  39           3HZ      LYS  39 -10.393  14.147   9.547
  298    HZ2  LYS  39           1HZ      LYS  39  -9.023  14.895   8.879
  299    HZ3  LYS  39           2HZ      LYS  39  -9.241  14.871  10.564
  300    H    SER  40           H        SER  40 -10.292   7.569   7.296
  301    HA   SER  40           HA       SER  40 -11.872   5.279   8.398
  302    HB2  SER  40           1HB      SER  40 -13.347   6.942   7.521
  303    HB3  SER  40           2HB      SER  40 -12.333   7.197   6.111
  304    HG   SER  40           HG       SER  40 -13.241   5.543   5.172
  305    H    SER  41           H        SER  41 -12.337   3.514   6.857
  306    HA   SER  41           HA       SER  41  -9.882   2.468   5.767
  307    HB2  SER  41           1HB      SER  41 -11.361   0.859   6.748
  308    HB3  SER  41           2HB      SER  41 -12.739   1.477   5.847
  309    HG   SER  41           HG       SER  41 -10.872  -0.354   5.125
  310    H    GLN  42           H        GLN  42 -13.019   3.402   4.341
  311    HA   GLN  42           HA       GLN  42 -12.276   2.939   1.653
  312    HB2  GLN  42           1HB      GLN  42 -14.636   3.292   2.733
  313    HB3  GLN  42           2HB      GLN  42 -14.359   5.005   2.454
  314    HG2  GLN  42           1HG      GLN  42 -14.335   2.819   0.333
  315    HG3  GLN  42           2HG      GLN  42 -15.617   3.997   0.588
  316   HE21  GLN  42          2HE2      GLN  42 -12.953   3.402  -1.344
  317   HE22  GLN  42          1HE2      GLN  42 -12.600   4.997  -1.806
  318    H    GLU  43           H        GLU  43 -12.055   5.842   3.675
  319    HA   GLU  43           HA       GLU  43 -11.394   7.716   1.710
  320    HB2  GLU  43           1HB      GLU  43 -11.925   8.314   4.025
  321    HB3  GLU  43           2HB      GLU  43 -10.423   7.576   4.580
  322    HG2  GLU  43           1HG      GLU  43  -9.121   9.222   3.290
  323    HG3  GLU  43           2HG      GLU  43 -10.604   9.911   2.636
  324    H    PHE  44           H        PHE  44  -9.515   5.077   2.987
  325    HA   PHE  44           HA       PHE  44  -6.929   6.091   2.259
  326    HB2  PHE  44           1HB      PHE  44  -7.442   4.302   3.966
  327    HB3  PHE  44           2HB      PHE  44  -7.796   3.203   2.650
  328    HD1  PHE  44           HD1      PHE  44  -6.016   2.563   1.021
  329    HD2  PHE  44           HD2      PHE  44  -5.125   4.949   4.469
  330    HE1  PHE  44           HE1      PHE  44  -3.601   2.083   0.720
  331    HE2  PHE  44           HE2      PHE  44  -2.711   4.478   4.173
  332    HZ   PHE  44           HZ       PHE  44  -1.957   3.044   2.290
  333    H    ILE  45           H        ILE  45  -9.262   3.818   0.817
  334    HA   ILE  45           HA       ILE  45  -7.748   3.150  -1.484
  335    HB   ILE  45           HB       ILE  45 -10.742   3.132  -0.923
  336   HG12  ILE  45          1HG1      ILE  45 -10.439   0.664  -1.067
  337   HG13  ILE  45          2HG1      ILE  45  -8.728   0.892  -1.411
  338   HG21  ILE  45          1HG2      ILE  45 -10.932   1.775  -3.118
  339   HG22  ILE  45          2HG2      ILE  45  -9.329   2.395  -3.526
  340   HG23  ILE  45          3HG2      ILE  45 -10.685   3.507  -3.323
  341   HD11  ILE  45          3HD1      ILE  45  -8.297   1.700   0.783
  342   HD12  ILE  45          1HD1      ILE  45  -9.374   0.329   1.011
  343   HD13  ILE  45          2HD1      ILE  45 -10.009   1.965   1.114
  344    H    ASP  46           H        ASP  46  -9.748   5.901  -0.676
  345    HA   ASP  46           HA       ASP  46 -10.065   6.954  -3.309
  346    HB2  ASP  46           1HB      ASP  46  -9.997   8.397  -0.642
  347    HB3  ASP  46           2HB      ASP  46 -10.524   9.116  -2.159
  348    H    TYR  47           H        TYR  47  -7.487   7.312  -0.909
  349    HA   TYR  47           HA       TYR  47  -6.009   9.345  -2.251
  350    HB2  TYR  47           1HB      TYR  47  -5.472   8.926   0.057
  351    HB3  TYR  47           2HB      TYR  47  -5.232   7.218  -0.231
  352    HD1  TYR  47           HD1      TYR  47  -3.724  10.582  -0.639
  353    HD2  TYR  47           HD2      TYR  47  -3.205   6.372  -1.337
  354    HE1  TYR  47           HE1      TYR  47  -1.344  10.969  -1.209
  355    HE2  TYR  47           HE2      TYR  47  -0.836   6.763  -1.924
  356    HH   TYR  47           HH       TYR  47   0.935   8.549  -1.372
  357    H    ILE  48           H        ILE  48  -5.824   5.801  -2.326
  358    HA   ILE  48           HA       ILE  48  -3.473   5.564  -3.771
  359    HB   ILE  48           HB       ILE  48  -5.839   3.677  -4.199
  360   HG12  ILE  48          1HG1      ILE  48  -3.738   3.637  -1.980
  361   HG13  ILE  48          2HG1      ILE  48  -5.425   4.072  -1.766
  362   HG21  ILE  48          1HG2      ILE  48  -2.810   3.274  -4.253
  363   HG22  ILE  48          2HG2      ILE  48  -3.840   3.368  -5.682
  364   HG23  ILE  48          3HG2      ILE  48  -4.012   2.023  -4.572
  365   HD11  ILE  48          3HD1      ILE  48  -5.196   1.783  -1.105
  366   HD12  ILE  48          1HD1      ILE  48  -4.355   1.372  -2.591
  367   HD13  ILE  48          2HD1      ILE  48  -6.067   1.795  -2.630
  368    H    HIS  49           H        HIS  49  -6.774   5.980  -5.017
  369    HA   HIS  49           HA       HIS  49  -5.947   5.918  -7.795
  370    HB2  HIS  49           1HB      HIS  49  -8.534   6.903  -6.547
  371    HB3  HIS  49           2HB      HIS  49  -8.269   6.511  -8.246
  372    HD1  HIS  49           HD1      HIS  49 -10.432   5.015  -6.787
  373    HD2  HIS  49           HD2      HIS  49  -6.495   3.648  -6.919
  374    HE1  HIS  49           HE1      HIS  49 -10.525   2.520  -6.390
  375    HE2  HIS  49           HE2      HIS  49  -8.138   1.663  -6.466
  376    H    SER  50           H        SER  50  -6.209   8.429  -5.302
  377    HA   SER  50           HA       SER  50  -6.572  10.653  -6.990
  378    HB2  SER  50           1HB      SER  50  -5.199  10.511  -4.291
  379    HB3  SER  50           2HB      SER  50  -5.823  11.970  -5.060
  380    HG   SER  50           HG       SER  50  -7.688  10.023  -5.026
  381    H    LYS  51           H        LYS  51  -3.821   8.652  -6.604
  382    HA   LYS  51           HA       LYS  51  -1.976  10.701  -7.735
  383    HB2  LYS  51           1HB      LYS  51  -1.341   8.115  -6.268
  384    HB3  LYS  51           2HB      LYS  51  -0.176   9.315  -6.825
  385    HG2  LYS  51           1HG      LYS  51  -2.342   9.830  -4.748
  386    HG3  LYS  51           2HG      LYS  51  -0.653   9.491  -4.380
  387    HD2  LYS  51           1HD      LYS  51  -0.038  11.544  -5.774
  388    HD3  LYS  51           2HD      LYS  51  -1.758  11.928  -5.844
  389    HE2  LYS  51           1HE      LYS  51  -0.718  13.171  -4.022
  390    HE3  LYS  51           2HE      LYS  51  -1.842  11.978  -3.370
  391    HZ1  LYS  51           3HZ      LYS  51  -0.014  10.508  -2.921
  392    HZ2  LYS  51           1HZ      LYS  51   0.311  12.012  -2.211
  393    HZ3  LYS  51           2HZ      LYS  51   1.086  11.572  -3.656
  394    H    LYS  52           H        LYS  52  -0.786  10.156  -9.528
  395    HA   LYS  52           HA       LYS  52  -1.973   8.127 -11.280
  396    HB2  LYS  52           1HB      LYS  52   0.123  10.232 -11.911
  397    HB3  LYS  52           2HB      LYS  52  -0.766   9.249 -13.069
  398    HG2  LYS  52           1HG      LYS  52  -2.176  11.120 -13.153
  399    HG3  LYS  52           2HG      LYS  52  -2.909  10.366 -11.743
  400    HD2  LYS  52           1HD      LYS  52  -1.409  11.760 -10.279
  401    HD3  LYS  52           2HD      LYS  52  -0.776  12.541 -11.724
  402    HE2  LYS  52           1HE      LYS  52  -2.527  13.943 -10.756
  403    HE3  LYS  52           2HE      LYS  52  -3.108  13.284 -12.286
  404    HZ1  LYS  52           3HZ      LYS  52  -3.625  11.639  -9.961
  405    HZ2  LYS  52           1HZ      LYS  52  -4.647  12.040 -11.255
  406    HZ3  LYS  52           2HZ      LYS  52  -4.439  13.131  -9.968
  407    H    VAL  53           H        VAL  53  -0.384   6.972 -12.794
  408    HA   VAL  53           HA       VAL  53   1.267   5.267 -11.236
  409    HB   VAL  53           HB       VAL  53   1.370   5.580 -14.275
  410   HG11  VAL  53          1HG1      VAL  53   1.946   3.162 -14.183
  411   HG12  VAL  53          2HG1      VAL  53   1.906   3.227 -12.423
  412   HG13  VAL  53          3HG1      VAL  53   3.120   4.146 -13.311
  413   HG21  VAL  53          3HG2      VAL  53  -0.408   3.804 -14.310
  414   HG22  VAL  53          1HG2      VAL  53  -0.973   5.340 -13.659
  415   HG23  VAL  53          2HG2      VAL  53  -0.597   4.005 -12.571
  416    H    GLY  54           H        GLY  54   3.473   5.263 -10.905
  417    HA2  GLY  54           1HA      GLY  54   5.717   5.771 -11.441
  418    HA3  GLY  54           2HA      GLY  54   5.207   7.186 -12.348
  419    H    ASP  55           H        ASP  55   3.325   8.008 -10.051
  420    HA   ASP  55           HA       ASP  55   4.978   9.800  -8.805
  421    HB2  ASP  55           1HB      ASP  55   2.434   9.745  -8.912
  422    HB3  ASP  55           2HB      ASP  55   2.460   8.569  -7.609
  423    H    THR  56           H        THR  56   5.894   9.930  -6.733
  424    HA   THR  56           HA       THR  56   6.818   7.376  -5.592
  425    HB   THR  56           HB       THR  56   8.266   8.836  -4.207
  426    HG1  THR  56           HG1      THR  56   6.867  10.613  -4.077
  427   HG21  THR  56          3HG2      THR  56   9.025   8.114  -6.444
  428   HG22  THR  56          1HG2      THR  56   9.638   9.721  -6.055
  429   HG23  THR  56          2HG2      THR  56   8.276   9.543  -7.159
  430    H    VAL  57           H        VAL  57   6.124   6.579  -3.706
  431    HA   VAL  57           HA       VAL  57   4.076   8.083  -2.123
  432    HB   VAL  57           HB       VAL  57   3.644   5.764  -3.640
  433   HG11  VAL  57          1HG1      VAL  57   3.379   3.841  -2.196
  434   HG12  VAL  57          2HG1      VAL  57   3.745   4.792  -0.764
  435   HG13  VAL  57          3HG1      VAL  57   5.011   4.435  -1.916
  436   HG21  VAL  57          3HG2      VAL  57   1.875   7.255  -2.799
  437   HG22  VAL  57          1HG2      VAL  57   2.114   6.639  -1.161
  438   HG23  VAL  57          2HG2      VAL  57   1.485   5.577  -2.423
  439    H    LYS  58           H        LYS  58   3.823   7.388   0.100
  440    HA   LYS  58           HA       LYS  58   6.335   6.375   1.387
  441    HB2  LYS  58           1HB      LYS  58   4.586   8.718   2.264
  442    HB3  LYS  58           2HB      LYS  58   5.961   8.071   3.161
  443    HG2  LYS  58           1HG      LYS  58   7.463   8.634   1.284
  444    HG3  LYS  58           2HG      LYS  58   6.087   9.263   0.371
  445    HD2  LYS  58           1HD      LYS  58   5.694  10.949   2.160
  446    HD3  LYS  58           2HD      LYS  58   7.108  10.340   3.024
  447    HE2  LYS  58           1HE      LYS  58   7.103  11.548   0.239
  448    HE3  LYS  58           2HE      LYS  58   7.716  12.321   1.702
  449    HZ1  LYS  58           3HZ      LYS  58   9.309  10.484   1.921
  450    HZ2  LYS  58           1HZ      LYS  58   9.521  11.342   0.474
  451    HZ3  LYS  58           2HZ      LYS  58   8.749   9.828   0.457
  452    H    ILE  59           H        ILE  59   5.703   4.465   2.171
  453    HA   ILE  59           HA       ILE  59   2.940   4.087   3.209
  454    HB   ILE  59           HB       ILE  59   5.127   2.039   2.723
  455   HG12  ILE  59          1HG1      ILE  59   4.546   3.040   0.592
  456   HG13  ILE  59          2HG1      ILE  59   3.957   1.395   0.684
  457   HG21  ILE  59          1HG2      ILE  59   2.107   1.582   2.989
  458   HG22  ILE  59          2HG2      ILE  59   3.203   1.429   4.329
  459   HG23  ILE  59          3HG2      ILE  59   3.373   0.370   2.944
  460   HD11  ILE  59          3HD1      ILE  59   2.240   2.723  -0.344
  461   HD12  ILE  59          1HD1      ILE  59   2.299   3.923   0.936
  462   HD13  ILE  59          2HD1      ILE  59   1.674   2.310   1.264
  463    H    LYS  60           H        LYS  60   2.533   3.665   5.286
  464    HA   LYS  60           HA       LYS  60   4.759   3.251   7.214
  465    HB2  LYS  60           1HB      LYS  60   3.667   5.642   7.156
  466    HB3  LYS  60           2HB      LYS  60   2.261   4.874   7.859
  467    HG2  LYS  60           1HG      LYS  60   3.394   5.565   9.808
  468    HG3  LYS  60           2HG      LYS  60   3.979   3.914   9.642
  469    HD2  LYS  60           1HD      LYS  60   6.015   5.070   9.985
  470    HD3  LYS  60           2HD      LYS  60   5.956   5.067   8.229
  471    HE2  LYS  60           1HE      LYS  60   4.887   7.357   8.324
  472    HE3  LYS  60           2HE      LYS  60   5.134   7.344  10.068
  473    HZ1  LYS  60           3HZ      LYS  60   7.556   6.633   9.058
  474    HZ2  LYS  60           1HZ      LYS  60   7.131   8.177   9.616
  475    HZ3  LYS  60           2HZ      LYS  60   7.018   7.812   7.960
  476    H    TYR  61           H        TYR  61   4.466   1.214   7.932
  477    HA   TYR  61           HA       TYR  61   1.775   0.334   8.776
  478    HB2  TYR  61           1HB      TYR  61   1.823  -1.665   7.457
  479    HB3  TYR  61           2HB      TYR  61   2.192  -0.361   6.353
  480    HD1  TYR  61           HD1      TYR  61   3.677  -3.152   8.307
  481    HD2  TYR  61           HD2      TYR  61   4.363  -0.267   5.208
  482    HE1  TYR  61           HE1      TYR  61   5.773  -4.314   7.688
  483    HE2  TYR  61           HE2      TYR  61   6.461  -1.411   4.595
  484    HH   TYR  61           HH       TYR  61   7.542  -4.327   6.344
  485    H    LYS  62           H        LYS  62   1.826  -1.507  10.145
  486    HA   LYS  62           HA       LYS  62   4.437  -2.112  11.426
  487    HB2  LYS  62           1HB      LYS  62   3.315  -2.039  13.620
  488    HB3  LYS  62           2HB      LYS  62   3.250  -0.471  12.818
  489    HG2  LYS  62           1HG      LYS  62   0.939  -1.014  12.021
  490    HG3  LYS  62           2HG      LYS  62   1.000  -2.519  12.933
  491    HD2  LYS  62           1HD      LYS  62   1.362  -1.222  15.024
  492    HD3  LYS  62           2HD      LYS  62   1.196   0.272  14.102
  493    HE2  LYS  62           1HE      LYS  62  -0.933  -1.886  14.339
  494    HE3  LYS  62           2HE      LYS  62  -0.933  -0.354  15.213
  495    HZ1  LYS  62           3HZ      LYS  62  -2.277  -0.479  13.082
  496    HZ2  LYS  62           1HZ      LYS  62  -0.796  -0.456  12.263
  497    HZ3  LYS  62           2HZ      LYS  62  -1.233   0.846  13.258
  498    H    HIS  63           H        HIS  63   4.807  -4.304  11.847
  499    HA   HIS  63           HA       HIS  63   2.527  -6.167  11.603
  500    HB2  HIS  63           1HB      HIS  63   3.945  -6.155   9.514
  501    HB3  HIS  63           2HB      HIS  63   5.356  -6.537  10.500
  502    HD1  HIS  63           HD1      HIS  63   5.443  -8.919  11.589
  503    HD2  HIS  63           HD2      HIS  63   2.116  -8.307   9.149
  504    HE1  HIS  63           HE1      HIS  63   4.373 -11.184  11.254
  505    HE2  HIS  63           HE2      HIS  63   2.342 -10.836   9.770
  506    H    GLY  64           H        GLY  64   2.381  -7.214  13.537
  507    HA2  GLY  64           1HA      GLY  64   3.027  -8.312  15.469
  508    HA3  GLY  64           2HA      GLY  64   4.681  -8.322  14.865
  509    H    ASN  65           H        ASN  65   6.093  -7.153  16.037
  510    HA   ASN  65           HA       ASN  65   5.129  -4.899  17.758
  511    HB2  ASN  65           1HB      ASN  65   7.490  -6.758  18.159
  512    HB3  ASN  65           2HB      ASN  65   7.037  -5.428  19.225
  513   HD21  ASN  65          2HD2      ASN  65   6.853  -8.693  19.152
  514   HD22  ASN  65          1HD2      ASN  65   5.371  -8.929  19.944
  515    H    LYS  66           H        LYS  66   7.279  -5.814  15.190
  516    HA   LYS  66           HA       LYS  66   8.891  -3.334  15.454
  517    HB2  LYS  66           1HB      LYS  66  10.328  -4.378  13.706
  518    HB3  LYS  66           2HB      LYS  66  10.178  -5.377  15.150
  519    HG2  LYS  66           1HG      LYS  66   8.439  -6.738  14.015
  520    HG3  LYS  66           2HG      LYS  66   8.629  -5.759  12.567
  521    HD2  LYS  66           1HD      LYS  66  10.995  -6.432  12.396
  522    HD3  LYS  66           2HD      LYS  66  10.819  -7.421  13.846
  523    HE2  LYS  66           1HE      LYS  66   9.120  -8.802  12.715
  524    HE3  LYS  66           2HE      LYS  66   9.250  -7.798  11.269
  525    HZ1  LYS  66           3HZ      LYS  66  11.717  -8.391  11.371
  526    HZ2  LYS  66           1HZ      LYS  66  10.640  -9.588  10.838
  527    HZ3  LYS  66           2HZ      LYS  66  11.249  -9.642  12.421
  528    H    ASN  67           H        ASN  67   8.648  -1.638  14.136
  529    HA   ASN  67           HA       ASN  67   6.687  -1.752  11.934
  530    HB2  ASN  67           1HB      ASN  67   6.298  -0.071  13.745
  531    HB3  ASN  67           2HB      ASN  67   7.840   0.678  13.342
  532   HD21  ASN  67          2HD2      ASN  67   4.563   0.980  12.757
  533   HD22  ASN  67          1HD2      ASN  67   4.625   1.754  11.249
  534    H    GLU  68           H        GLU  68   7.217  -1.083   9.904
  535    HA   GLU  68           HA       GLU  68  10.039  -0.373   9.276
  536    HB2  GLU  68           1HB      GLU  68   8.327  -2.408   7.791
  537    HB3  GLU  68           2HB      GLU  68   9.962  -1.915   7.357
  538    HG2  GLU  68           1HG      GLU  68   9.187  -3.289   9.961
  539    HG3  GLU  68           2HG      GLU  68   9.914  -4.091   8.576
  540    H    GLU  69           H        GLU  69  10.243   1.143   7.663
  541    HA   GLU  69           HA       GLU  69   7.781   2.133   6.283
  542    HB2  GLU  69           1HB      GLU  69   8.528   3.674   8.071
  543    HB3  GLU  69           2HB      GLU  69  10.119   3.762   7.333
  544    HG2  GLU  69           1HG      GLU  69   9.144   4.766   5.305
  545    HG3  GLU  69           2HG      GLU  69   7.538   4.603   5.991
  546    H    ALA  70           H        ALA  70   7.933   2.220   4.150
  547    HA   ALA  70           HA       ALA  70  10.538   2.430   2.773
  548    HB1  ALA  70           3HB      ALA  70   8.528   0.206   2.311
  549    HB2  ALA  70           1HB      ALA  70  10.135   0.015   3.009
  550    HB3  ALA  70           2HB      ALA  70   9.961   0.502   1.322
  551    H    SER  71           H        SER  71  10.408   3.354   0.790
  552    HA   SER  71           HA       SER  71   7.824   4.615   0.006
  553    HB2  SER  71           1HB      SER  71  10.663   5.231  -0.891
  554    HB3  SER  71           2HB      SER  71   9.211   6.116  -1.362
  555    HG   SER  71           HG       SER  71   9.013   6.132   1.151
  556    H    ILE  72           H        ILE  72   6.823   4.008  -1.845
  557    HA   ILE  72           HA       ILE  72   8.245   2.288  -3.817
  558    HB   ILE  72           HB       ILE  72   5.391   1.661  -2.949
  559   HG12  ILE  72          1HG1      ILE  72   7.867   0.435  -1.632
  560   HG13  ILE  72          2HG1      ILE  72   6.825   1.623  -0.860
  561   HG21  ILE  72          1HG2      ILE  72   6.384   0.654  -5.022
  562   HG22  ILE  72          2HG2      ILE  72   5.959  -0.561  -3.819
  563   HG23  ILE  72          3HG2      ILE  72   7.638  -0.074  -4.020
  564   HD11  ILE  72          3HD1      ILE  72   6.144  -0.582  -0.137
  565   HD12  ILE  72          1HD1      ILE  72   5.966  -1.109  -1.805
  566   HD13  ILE  72          2HD1      ILE  72   4.882   0.115  -1.154
  567    H    LYS  73           H        LYS  73   7.667   2.637  -5.961
  568    HA   LYS  73           HA       LYS  73   5.905   4.881  -6.521
  569    HB2  LYS  73           1HB      LYS  73   7.886   3.215  -8.069
  570    HB3  LYS  73           2HB      LYS  73   6.642   4.046  -9.004
  571    HG2  LYS  73           1HG      LYS  73   7.302   6.195  -8.075
  572    HG3  LYS  73           2HG      LYS  73   8.470   5.423  -6.997
  573    HD2  LYS  73           1HD      LYS  73   9.709   4.578  -9.004
  574    HD3  LYS  73           2HD      LYS  73   8.579   5.452 -10.039
  575    HE2  LYS  73           1HE      LYS  73  10.390   6.700  -7.944
  576    HE3  LYS  73           2HE      LYS  73  10.632   6.770  -9.691
  577    HZ1  LYS  73           3HZ      LYS  73   8.503   7.904  -9.893
  578    HZ2  LYS  73           1HZ      LYS  73   9.560   8.770  -8.889
  579    HZ3  LYS  73           2HZ      LYS  73   8.300   7.856  -8.207
  580    H    LEU  74           H        LEU  74   3.925   4.801  -7.558
  581    HA   LEU  74           HA       LEU  74   2.307   2.529  -7.205
  582    HB2  LEU  74           1HB      LEU  74   2.081   5.067  -8.845
  583    HB3  LEU  74           2HB      LEU  74   0.811   3.862  -8.883
  584    HG   LEU  74           HG       LEU  74   0.349   5.752  -7.312
  585   HD11  LEU  74          1HD1      LEU  74  -0.462   3.264  -6.942
  586   HD12  LEU  74          2HD1      LEU  74  -0.652   4.448  -5.663
  587   HD13  LEU  74          3HD1      LEU  74   0.661   3.279  -5.579
  588   HD21  LEU  74          3HD2      LEU  74   1.615   6.057  -5.294
  589   HD22  LEU  74          1HD2      LEU  74   2.761   6.068  -6.628
  590   HD23  LEU  74          2HD2      LEU  74   2.610   4.638  -5.606
  591    H    THR  75           H        THR  75   1.525   1.037  -8.749
  592    HA   THR  75           HA       THR  75   2.759   0.942 -11.434
  593    HB   THR  75           HB       THR  75   3.109  -1.468 -11.177
  594    HG1  THR  75           HG1      THR  75   1.387  -1.246  -9.290
  595   HG21  THR  75          3HG2      THR  75   4.936   0.113 -10.419
  596   HG22  THR  75          1HG2      THR  75   4.966  -1.464  -9.635
  597   HG23  THR  75          2HG2      THR  75   4.324  -0.070  -8.773
  598    H    ALA  76           H        ALA  76   1.544  -0.470 -12.883
  599    HA   ALA  76           HA       ALA  76  -1.354  -0.186 -12.576
  600    HB1  ALA  76           3HB      ALA  76  -1.346  -1.192 -14.879
  601    HB2  ALA  76           1HB      ALA  76   0.402  -1.373 -14.759
  602    HB3  ALA  76           2HB      ALA  76  -0.318   0.237 -14.756
  603    H    ILE  77           H        ILE  77  -2.464  -1.709 -11.450
  604    HA   ILE  77           HA       ILE  77  -1.469  -4.508 -11.297
  605    HB   ILE  77           HB       ILE  77  -2.782  -4.787  -9.318
  606   HG12  ILE  77          1HG1      ILE  77  -4.865  -3.622  -9.869
  607   HG13  ILE  77          2HG1      ILE  77  -4.237  -2.996  -8.364
  608   HG21  ILE  77          1HG2      ILE  77  -0.673  -3.626  -8.951
  609   HG22  ILE  77          2HG2      ILE  77  -1.894  -2.972  -7.857
  610   HG23  ILE  77          3HG2      ILE  77  -1.428  -2.068  -9.292
  611   HD11  ILE  77          3HD1      ILE  77  -4.924  -1.086  -9.544
  612   HD12  ILE  77          1HD1      ILE  77  -4.269  -1.660 -11.068
  613   HD13  ILE  77          2HD1      ILE  77  -3.185  -1.108  -9.790
  614    H    ASP  78           H        ASP  78  -3.927  -2.586 -12.701
  615    HA   ASP  78           HA       ASP  78  -5.494  -5.002 -13.535
  616    HB2  ASP  78           1HB      ASP  78  -6.460  -2.185 -12.941
  617    HB3  ASP  78           2HB      ASP  78  -7.461  -3.442 -13.667
  618    H    LYS  79           H        LYS  79  -6.107  -5.151 -15.634
  619    HA   LYS  79           HA       LYS  79  -4.548  -4.233 -17.687
  620    HB2  LYS  79           1HB      LYS  79  -6.448  -4.931 -19.158
  621    HB3  LYS  79           2HB      LYS  79  -6.096  -6.110 -17.894
  622    HG2  LYS  79           1HG      LYS  79  -7.936  -5.134 -16.501
  623    HG3  LYS  79           2HG      LYS  79  -8.317  -4.028 -17.818
  624    HD2  LYS  79           1HD      LYS  79  -8.783  -5.962 -19.296
  625    HD3  LYS  79           2HD      LYS  79  -8.427  -7.058 -17.959
  626    HE2  LYS  79           1HE      LYS  79 -10.624  -4.958 -17.975
  627    HE3  LYS  79           2HE      LYS  79 -10.865  -6.693 -18.182
  628    HZ1  LYS  79           3HZ      LYS  79  -9.817  -7.007 -15.981
  629    HZ2  LYS  79           1HZ      LYS  79 -11.263  -6.124 -15.907
  630    HZ3  LYS  79           2HZ      LYS  79  -9.770  -5.320 -15.785
  631    H    LYS  80           H        LYS  80  -6.974  -2.442 -16.015
  632    HA   LYS  80           HA       LYS  80  -7.553  -0.557 -18.159
  633    HB2  LYS  80           1HB      LYS  80  -8.150  -0.430 -15.192
  634    HB3  LYS  80           2HB      LYS  80  -8.824   0.646 -16.419
  635    HG2  LYS  80           1HG      LYS  80  -9.776  -1.400 -17.583
  636    HG3  LYS  80           2HG      LYS  80  -9.255  -2.364 -16.206
  637    HD2  LYS  80           1HD      LYS  80 -11.205  -0.030 -16.116
  638    HD3  LYS  80           2HD      LYS  80 -11.645  -1.735 -16.043
  639    HE2  LYS  80           1HE      LYS  80 -10.160  -0.102 -13.949
  640    HE3  LYS  80           2HE      LYS  80 -11.659  -0.998 -13.764
  641    HZ1  LYS  80           3HZ      LYS  80  -9.988  -2.292 -12.783
  642    HZ2  LYS  80           1HZ      LYS  80  -8.927  -2.086 -14.089
  643    HZ3  LYS  80           2HZ      LYS  80 -10.320  -3.041 -14.270
  644    H    GLY  81           H        GLY  81  -5.101  -0.922 -15.809
  645    HA2  GLY  81           1HA      GLY  81  -3.120   0.280 -15.612
  646    HA3  GLY  81           2HA      GLY  81  -3.758   1.521 -16.677
  647    H    THR  82           H        THR  82  -5.183   0.242 -13.659
  648    HA   THR  82           HA       THR  82  -5.567   2.925 -12.641
  649    HB   THR  82           HB       THR  82  -6.118   0.244 -11.350
  650    HG1  THR  82           HG1      THR  82  -7.622   0.290 -12.805
  651   HG21  THR  82          3HG2      THR  82  -5.967   1.949  -9.623
  652   HG22  THR  82          1HG2      THR  82  -7.678   1.648  -9.929
  653   HG23  THR  82          2HG2      THR  82  -6.906   3.087 -10.592
  654    HA   PRO  83           HA       PRO  83  -1.423   2.852 -10.609
  655    HB2  PRO  83           1HB      PRO  83  -2.741   4.851  -8.755
  656    HB3  PRO  83           2HB      PRO  83  -1.173   4.972  -9.587
  657    HG2  PRO  83           1HG      PRO  83  -3.325   6.308 -10.470
  658    HG3  PRO  83           2HG      PRO  83  -2.136   5.650 -11.583
  659    HD2  PRO  83           1HD      PRO  83  -4.915   4.678 -10.985
  660    HD3  PRO  83           2HD      PRO  83  -3.961   4.566 -12.487
  661    H    GLY  84           H        GLY  84  -0.721   1.449  -9.100
  662    HA2  GLY  84           1HA      GLY  84  -1.859   1.089  -6.499
  663    HA3  GLY  84           2HA      GLY  84  -2.337  -0.228  -7.568
  664    H    ILE  85           H        ILE  85  -0.810  -0.702  -5.293
  665    HA   ILE  85           HA       ILE  85   1.919  -1.302  -6.336
  666    HB   ILE  85           HB       ILE  85   1.814  -1.587  -3.418
  667   HG12  ILE  85          1HG1      ILE  85   0.819   1.133  -4.365
  668   HG13  ILE  85          2HG1      ILE  85  -0.176  -0.068  -3.549
  669   HG21  ILE  85          1HG2      ILE  85   3.119   0.582  -5.095
  670   HG22  ILE  85          2HG2      ILE  85   3.794  -1.023  -4.834
  671   HG23  ILE  85          3HG2      ILE  85   3.595   0.075  -3.472
  672   HD11  ILE  85          3HD1      ILE  85   0.566   1.529  -1.896
  673   HD12  ILE  85          1HD1      ILE  85   2.246   1.350  -2.397
  674   HD13  ILE  85          2HD1      ILE  85   1.413   0.014  -1.600
  675    H    GLY  86           H        GLY  86  -0.340  -2.870  -6.962
  676    HA2  GLY  86           1HA      GLY  86  -1.060  -5.072  -6.984
  677    HA3  GLY  86           2HA      GLY  86   0.604  -5.438  -6.593
  678    H    ILE  87           H        ILE  87  -2.165  -4.036  -4.984
  679    HA   ILE  87           HA       ILE  87  -2.090  -6.056  -2.822
  680    HB   ILE  87           HB       ILE  87  -2.345  -4.216  -1.096
  681   HG12  ILE  87          1HG1      ILE  87  -1.339  -2.454  -3.375
  682   HG13  ILE  87          2HG1      ILE  87  -2.986  -2.428  -2.758
  683   HG21  ILE  87          1HG2      ILE  87   0.055  -3.744  -0.925
  684   HG22  ILE  87          2HG2      ILE  87   0.281  -4.187  -2.611
  685   HG23  ILE  87          3HG2      ILE  87  -0.189  -5.409  -1.441
  686   HD11  ILE  87          3HD1      ILE  87  -1.843  -0.638  -1.695
  687   HD12  ILE  87          1HD1      ILE  87  -0.471  -1.662  -1.282
  688   HD13  ILE  87          2HD1      ILE  87  -2.021  -1.899  -0.482
  689    H    THR  88           H        THR  88  -3.948  -5.976  -1.464
  690    HA   THR  88           HA       THR  88  -6.394  -4.746  -2.679
  691    HB   THR  88           HB       THR  88  -6.069  -7.623  -1.823
  692    HG1  THR  88           HG1      THR  88  -6.273  -6.302  -4.301
  693   HG21  THR  88          3HG2      THR  88  -8.400  -7.822  -2.838
  694   HG22  THR  88          1HG2      THR  88  -8.477  -6.062  -2.836
  695   HG23  THR  88          2HG2      THR  88  -8.344  -6.944  -1.312
  696    H    LEU  89           H        LEU  89  -7.263  -3.486  -1.154
  697    HA   LEU  89           HA       LEU  89  -6.994  -4.124   1.739
  698    HB2  LEU  89           1HB      LEU  89  -7.618  -1.640   0.131
  699    HB3  LEU  89           2HB      LEU  89  -8.125  -1.706   1.816
  700    HG   LEU  89           HG       LEU  89  -5.817  -2.051   2.552
  701   HD11  LEU  89          1HD1      LEU  89  -5.130  -2.028  -0.404
  702   HD12  LEU  89          2HD1      LEU  89  -4.887  -3.354   0.735
  703   HD13  LEU  89          3HD1      LEU  89  -3.949  -1.882   0.896
  704   HD21  LEU  89          3HD2      LEU  89  -4.911   0.147   1.903
  705   HD22  LEU  89          1HD2      LEU  89  -6.652   0.265   2.182
  706   HD23  LEU  89          2HD2      LEU  89  -6.026   0.203   0.537
  707    H    VAL  90           H        VAL  90  -8.698  -4.673   2.984
  708    HA   VAL  90           HA       VAL  90 -11.461  -4.233   2.174
  709    HB   VAL  90           HB       VAL  90 -12.052  -6.686   2.553
  710   HG11  VAL  90          1HG1      VAL  90 -10.256  -6.226   0.144
  711   HG12  VAL  90          2HG1      VAL  90 -11.924  -5.664   0.267
  712   HG13  VAL  90          3HG1      VAL  90 -11.569  -7.390   0.287
  713   HG21  VAL  90          3HG2      VAL  90  -9.993  -7.392   3.683
  714   HG22  VAL  90          1HG2      VAL  90  -9.040  -7.017   2.249
  715   HG23  VAL  90          2HG2      VAL  90 -10.204  -8.338   2.214
  716    H    ASP  91           H        ASP  91 -12.726  -3.951   3.962
  717    HA   ASP  91           HA       ASP  91 -11.494  -3.841   6.555
  718    HB2  ASP  91           1HB      ASP  91 -13.217  -2.267   5.770
  719    HB3  ASP  91           2HB      ASP  91 -14.377  -3.585   5.660
  720    H    ASP  92           H        ASP  92 -14.261  -5.694   5.261
  721    HA   ASP  92           HA       ASP  92 -13.478  -8.165   6.473
  722    HB2  ASP  92           1HB      ASP  92 -15.312  -8.321   8.124
  723    HB3  ASP  92           2HB      ASP  92 -14.194  -7.023   8.526
  724    H    LEU  93           H        LEU  93 -15.611  -9.631   6.545
  725    HA   LEU  93           HA       LEU  93 -16.975 -10.852   5.120
  726    HB2  LEU  93           1HB      LEU  93 -18.212  -8.108   4.682
  727    HB3  LEU  93           2HB      LEU  93 -19.023  -9.666   4.538
  728    HG   LEU  93           HG       LEU  93 -17.871  -8.485   7.095
  729   HD11  LEU  93          1HD1      LEU  93 -19.918  -7.345   6.294
  730   HD12  LEU  93          2HD1      LEU  93 -20.218  -8.240   7.783
  731   HD13  LEU  93          3HD1      LEU  93 -20.754  -8.899   6.238
  732   HD21  LEU  93          3HD2      LEU  93 -17.721 -10.852   7.375
  733   HD22  LEU  93          1HD2      LEU  93 -19.243 -11.146   6.533
  734   HD23  LEU  93          2HD2      LEU  93 -19.239 -10.433   8.148
  735    H    GLU  94           H        GLU  94 -14.551  -9.754   3.858
  736    HA   GLU  94           HA       GLU  94 -13.594  -9.482   1.802
  737    HB2  GLU  94           1HB      GLU  94 -16.027 -11.109   0.996
  738    HB3  GLU  94           2HB      GLU  94 -14.616 -10.842  -0.025
  739    HG2  GLU  94           1HG      GLU  94 -13.180 -11.921   1.673
  740    HG3  GLU  94           2HG      GLU  94 -14.587 -12.188   2.696
  741    H    HIS  95           H        HIS  95 -16.012  -9.562  -0.438
  742    HA   HIS  95           HA       HIS  95 -16.011  -6.629  -0.764
  743    HB2  HIS  95           1HB      HIS  95 -17.034  -8.860  -2.556
  744    HB3  HIS  95           2HB      HIS  95 -16.975  -7.150  -2.984
  745    HD1  HIS  95           HD1      HIS  95 -14.449  -6.065  -2.814
  746    HD2  HIS  95           HD2      HIS  95 -14.689 -10.215  -3.164
  747    HE1  HIS  95           HE1      HIS  95 -12.161  -6.854  -3.544
  748    HE2  HIS  95           HE2      HIS  95 -12.284  -9.379  -3.764
  749    H    HIS  96           H        HIS  96 -17.845  -8.836   0.868
  750    HA   HIS  96           HA       HIS  96 -19.995  -8.904   1.671
  751    HB2  HIS  96           1HB      HIS  96 -19.280  -6.704   2.562
  752    HB3  HIS  96           2HB      HIS  96 -19.870  -5.925   1.097
  753    HD1  HIS  96           HD1      HIS  96 -22.274  -5.232   1.104
  754    HD2  HIS  96           HD2      HIS  96 -21.492  -8.079   4.044
  755    HE1  HIS  96           HE1      HIS  96 -24.404  -5.475   2.445
  756    HE2  HIS  96           HE2      HIS  96 -23.948  -7.206   4.245
  757    H    HIS  97           H        HIS  97 -20.650 -10.159  -0.188
  758    HA   HIS  97           HA       HIS  97 -21.839  -8.942  -2.512
  759    HB2  HIS  97           1HB      HIS  97 -22.099 -11.766  -1.418
  760    HB3  HIS  97           2HB      HIS  97 -22.561 -11.238  -3.037
  761    HD1  HIS  97           HD1      HIS  97 -20.525 -10.249  -4.535
  762    HD2  HIS  97           HD2      HIS  97 -19.418 -12.462  -1.179
  763    HE1  HIS  97           HE1      HIS  97 -18.098 -10.878  -4.865
  764    HE2  HIS  97           HE2      HIS  97 -17.404 -12.228  -2.830
  765    H    HIS  98           H        HIS  98 -24.106  -9.241  -3.118
  766    HA   HIS  98           HA       HIS  98 -25.898  -8.158  -1.221
  767    HB2  HIS  98           1HB      HIS  98 -26.511  -9.643  -3.800
  768    HB3  HIS  98           2HB      HIS  98 -27.627  -8.596  -2.922
  769    HD1  HIS  98           HD1      HIS  98 -24.461  -8.487  -4.973
  770    HD2  HIS  98           HD2      HIS  98 -27.201  -5.828  -3.302
  771    HE1  HIS  98           HE1      HIS  98 -23.917  -6.211  -5.927
  772    HE2  HIS  98           HE2      HIS  98 -25.576  -4.575  -4.922
  773    H    HIS  99           H        HIS  99 -28.034  -9.218  -0.690
  774    HA   HIS  99           HA       HIS  99 -29.188 -10.777   0.523
  775    HB2  HIS  99           1HB      HIS  99 -27.694 -12.739  -1.250
  776    HB3  HIS  99           2HB      HIS  99 -29.163 -13.073  -0.335
  777    HD1  HIS  99           HD1      HIS  99 -31.300 -11.533  -1.019
  778    HD2  HIS  99           HD2      HIS  99 -28.160 -11.644  -3.764
  779    HE1  HIS  99           HE1      HIS  99 -32.229 -10.686  -3.211
  780    HE2  HIS  99           HE2      HIS  99 -30.339 -10.743  -4.901
  781    H    HIS 100           H        HIS 100 -28.345 -10.494   2.564
  782    HA   HIS 100           HA       HIS 100 -26.919 -12.696   3.711
  783    HB2  HIS 100           1HB      HIS 100 -24.991 -11.499   2.694
  784    HB3  HIS 100           2HB      HIS 100 -25.440 -10.041   3.577
  785    HD1  HIS 100           HD1      HIS 100 -24.465 -13.657   4.296
  786    HD2  HIS 100           HD2      HIS 100 -24.378  -9.919   6.142
  787    HE1  HIS 100           HE1      HIS 100 -23.261 -13.977   6.496
  788    HE2  HIS 100           HE2      HIS 100 -23.196 -11.711   7.638