*HEADER    LIGASE                                  30-JUN-10   2L0B              
*TITLE     SOLUTION STRUCTURE OF ZINC FINGER DOMAIN OF E3 UBIQUITIN-PROTEIN      
*TITLE    2 LIGASE PRAJA-1 FROM HOMO SAPIENS, NORTHEAST STRUCTURAL GENOMICS      
*TITLE    3 CONSORTIUM (NESG) TARGET HR4710B                                     
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: E3 UBIQUITIN-PROTEIN LIGASE PRAJA-1;                       
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: RING-TYPE ZINC FINGER RESIDUES 564-643;                    
*COMPND   5 SYNONYM: PRAJA1, RING FINGER PROTEIN 70;                             
*COMPND   6 EC: 6.3.2.-;                                                         
*COMPND   7 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   4 ORGANISM_TAXID: 9606;                                                
*SOURCE   5 GENE: PJA1, RNF70;                                                   
*SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   7 EXPRESSION_SYSTEM_TAXID: 562;                                        
*SOURCE   8 EXPRESSION_SYSTEM_VECTOR: PET 14-15C                                 
*KEYWDS    ZINC FINGER, NESG, STRUCTURAL GENOMICS, PSI-2, PROTEIN STRUCTURE      
*KEYWDS   2 INITIATIVE, NORTHEAST STRUCTURAL GENOMICS CONSORTIUM, LIGASE         
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    G.LIU, S.TONG, K.HAMILTON, C.CICCOSANTI, R.SHASTRY, T.B.ACTON,        
*AUTHOR   2 R.XIAO, J.K.EVERETT, G.T.MONTELIONE, NORTHEAST STRUCTURAL GENOMICS   
*AUTHOR   3 CONSORTIUM (NESG)                                                    
*REVDAT   1   25-AUG-10 2L0B    0                                                


 assign ((resid  11 and name HA   ))   ((resid  12 and name HN   ))    3.48  1.68  0.52
 assign ((resid  12 and name HB   ))   ((resid  13 and name HN   ))    4.65  2.85  0.70
 assign ((resid  16 and name HA   ))   ((resid  17 and name HN   ))    2.89  1.09  0.43
 assign ((resid  16 and name HB2  ))   ((resid  17 and name HN   ))    3.95  2.15  0.59
 assign ((resid  16 and name HB1  ))   ((resid  17 and name HN   ))    3.95  2.15  0.59
 assign ((resid  17 and name HN   ))   ((resid  22 and name HG11 ))    6.50  4.70  0.98
 assign ((resid  17 and name HN   ))   ((resid  18 and name HN   ))    5.19  3.39  0.78
 assign ((resid  18 and name HN   ))   ((resid  21 and name HN   ))    5.60  3.80  0.84
 assign ((resid  17 and name HA   ))   ((resid  18 and name HN   ))    2.77  0.97  0.42
 assign ((resid  17 and name HB*  ))   ((resid  18 and name HN   ))    3.22  1.42  0.48
 assign ((resid  18 and name HA   ))   ((resid  19 and name HN   ))    3.07  1.27  0.46
 assign ((resid  18 and name HB2  ))   ((resid  19 and name HN   ))    4.83  3.03  0.72
 assign ((resid  18 and name HB1  ))   ((resid  19 and name HN   ))    4.83  3.03  0.72
 assign ((resid  19 and name HN   ))   ((resid  20 and name HN   ))    3.04  1.24  0.46
 assign ((resid  19 and name HB2  ))   ((resid  20 and name HN   ))    3.99  2.19  0.60
 assign ((resid  19 and name HB1  ))   ((resid  20 and name HN   ))    3.23  1.43  0.48
 assign ((resid  19 and name HG1  ))   ((resid  20 and name HN   ))    5.12  3.32  0.77
 assign ((resid  19 and name HG2  ))   ((resid  20 and name HN   ))    4.53  2.73  0.68
 assign ((resid  20 and name HB1  ))   ((resid  21 and name HN   ))    3.73  1.93  0.56
 assign ((resid  20 and name HB2  ))   ((resid  21 and name HN   ))    3.90  2.10  0.59
 assign ((resid  21 and name HN   ))   ((resid  22 and name HN   ))    3.42  1.62  0.51
 assign ((resid  22 and name HN   ))   ((resid  23 and name HN   ))    3.15  1.35  0.47
 assign ((resid  22 and name HB   ))   ((resid  23 and name HN   ))    3.06  1.26  0.46
 assign ((resid  22 and name HG2* ))   ((resid  23 and name HN   ))    3.53  1.73  0.53
 assign ((resid  23 and name HA   ))   ((resid  24 and name HN   ))    3.54  1.74  0.53
 assign ((resid  23 and name HB2  ))   ((resid  24 and name HN   ))    3.86  2.06  0.58
 assign ((resid  23 and name HB1  ))   ((resid  24 and name HN   ))    3.63  1.83  0.54
 assign ((resid  24 and name HN   ))   ((resid  25 and name HN   ))    3.10  1.30  0.47
 assign ((resid  24 and name HB*  ))   ((resid  25 and name HN   ))    3.45  1.65  0.52
 assign ((resid  26 and name HA   ))   ((resid  27 and name HN   ))    2.61  0.81  0.39
 assign ((resid  26 and name HB2  ))   ((resid  27 and name HN   ))    3.35  1.55  0.50
 assign ((resid  26 and name HG1  ))   ((resid  27 and name HN   ))    5.78  3.98  0.87
 assign ((resid  26 and name HG2  ))   ((resid  27 and name HN   ))    4.93  3.13  0.74
 assign ((resid  27 and name HA   ))   ((resid  28 and name HN   ))    2.89  1.09  0.43
 assign ((resid  27 and name HB2  ))   ((resid  28 and name HN   ))    4.62  2.82  0.69
 assign ((resid  27 and name HB1  ))   ((resid  28 and name HN   ))    4.19  2.39  0.63
 assign ((resid  27 and name HG2  ))   ((resid  28 and name HN   ))    5.15  3.35  0.77
 assign ((resid  28 and name HN   ))   ((resid  29 and name HN   ))    4.64  2.84  0.70
 assign ((resid  28 and name HA   ))   ((resid  29 and name HN   ))    2.69  0.89  0.40
 assign ((resid  28 and name HB   ))   ((resid  29 and name HN   ))    4.37  2.57  0.66
 assign ((resid  28 and name HG2* ))   ((resid  29 and name HN   ))    3.33  1.53  0.50
 assign ((resid  28 and name HG12 ))   ((resid  29 and name HN   ))    4.84  3.04  0.73
 assign ((resid  28 and name HG11 ))   ((resid  29 and name HN   ))    5.01  3.21  0.75
 assign ((resid  29 and name HA   ))   ((resid  30 and name HN   ))    2.81  1.01  0.42
 assign ((resid  29 and name HB2  ))   ((resid  30 and name HN   ))    4.73  2.93  0.71
 assign ((resid  29 and name HB1  ))   ((resid  30 and name HN   ))    5.14  3.34  0.77
 assign ((resid  29 and name HG   ))   ((resid  30 and name HN   ))    4.25  2.45  0.64
 assign ((resid  29 and name HD1* ))   ((resid  30 and name HN   ))    3.43  1.63  0.51
 assign ((resid  30 and name HN   ))   ((resid  31 and name HN   ))    6.25  4.45  0.94
 assign ((resid  31 and name HN   ))   ((resid  53 and name HN   ))    6.50  4.70  0.98
 assign ((resid  30 and name HA   ))   ((resid  31 and name HN   ))    3.10  1.30  0.47
 assign ((resid  30 and name HB   ))   ((resid  31 and name HN   ))    4.88  3.08  0.73
 assign ((resid  30 and name HG1* ))   ((resid  31 and name HN   ))    3.39  1.59  0.51
 assign ((resid  30 and name HG2* ))   ((resid  31 and name HN   ))    4.00  2.20  0.60
 assign ((resid  32 and name HB2  ))   ((resid  33 and name HN   ))    4.65  2.85  0.70
 assign ((resid  32 and name HG2  ))   ((resid  33 and name HN   ))    5.58  3.78  0.84
 assign ((resid  32 and name HG1  ))   ((resid  33 and name HN   ))    5.58  3.78  0.84
 assign ((resid  34 and name HN   ))   ((resid  35 and name HN   ))    5.43  3.63  0.81
 assign ((resid  35 and name HN   ))   ((resid  36 and name HN   ))    4.46  2.66  0.67
 assign ((resid  38 and name HN   ))   ((resid  39 and name HN   ))    4.87  3.07  0.73
 assign ((resid  39 and name HN   ))   ((resid  40 and name HN   ))    4.04  2.24  0.61
 assign ((resid  39 and name HB2  ))   ((resid  40 and name HN   ))    4.21  2.41  0.63
 assign ((resid  40 and name HN   ))   ((resid  41 and name HN   ))    5.02  3.22  0.75
 assign ((resid  40 and name HA   ))   ((resid  41 and name HN   ))    3.01  1.21  0.45
 assign ((resid  41 and name HN   ))   ((resid  42 and name HN   ))    3.41  1.61  0.51
 assign ((resid  41 and name HB1  ))   ((resid  42 and name HN   ))    4.36  2.56  0.65
 assign ((resid  42 and name HA   ))   ((resid  43 and name HN   ))    2.95  1.15  0.44
 assign ((resid  42 and name HB1  ))   ((resid  43 and name HN   ))    4.02  2.22  0.60
 assign ((resid  44 and name HD1  ))   ((resid  45 and name HN   ))    5.00  3.20  0.75
 assign ((resid  44 and name HD2  ))   ((resid  45 and name HN   ))    4.30  2.50  0.65
 assign ((resid  45 and name HN   ))   ((resid  46 and name HN   ))    3.23  1.43  0.48
 assign ((resid  45 and name HB   ))   ((resid  46 and name HN   ))    3.33  1.53  0.50
 assign ((resid  45 and name HG2* ))   ((resid  46 and name HN   ))    3.58  1.78  0.54
 assign ((resid  45 and name HD1* ))   ((resid  46 and name HN   ))    4.64  2.84  0.70
 assign ((resid  46 and name HN   ))   ((resid  47 and name HN   ))    3.26  1.46  0.49
 assign ((resid  43 and name HB1  ))   ((resid  47 and name HN   ))    4.44  2.64  0.67
 assign ((resid  47 and name HN   ))   ((resid  48 and name HN   ))    3.20  1.40  0.48
 assign ((resid  47 and name HA   ))   ((resid  48 and name HN   ))    3.56  1.76  0.53
 assign ((resid  48 and name HA   ))   ((resid  49 and name HN   ))    2.77  0.97  0.42
 assign ((resid  48 and name HB2  ))   ((resid  49 and name HN   ))    4.69  2.89  0.70
 assign ((resid  48 and name HB1  ))   ((resid  49 and name HN   ))    4.69  2.89  0.70
 assign ((resid  49 and name HN   ))   ((resid  50 and name HN   ))    5.03  3.23  0.75
 assign ((resid  49 and name HA   ))   ((resid  50 and name HN   ))    2.93  1.13  0.44
 assign ((resid  50 and name HA   ))   ((resid  51 and name HN   ))    2.83  1.03  0.42
 assign ((resid  50 and name HB1  ))   ((resid  51 and name HN   ))    3.92  2.12  0.59
 assign ((resid  51 and name HA   ))   ((resid  52 and name HN   ))    2.87  1.07  0.43
 assign ((resid  51 and name HB   ))   ((resid  52 and name HN   ))    3.04  1.24  0.46
 assign ((resid  52 and name HA   ))   ((resid  53 and name HN   ))    2.85  1.05  0.43
 assign ((resid  52 and name HB1  ))   ((resid  53 and name HN   ))    4.51  2.71  0.68
 assign ((resid  52 and name HG2  ))   ((resid  53 and name HN   ))    4.19  2.39  0.63
 assign ((resid  52 and name HG1  ))   ((resid  53 and name HN   ))    4.19  2.39  0.63
 assign ((resid  52 and name HB2  ))   ((resid  53 and name HN   ))    4.51  2.71  0.68
 assign ((resid  53 and name HN   ))   ((resid  54 and name HN   ))    3.10  1.30  0.47
 assign ((resid  52 and name HA   ))   ((resid  54 and name HN   ))    3.94  2.14  0.59
 assign ((resid  54 and name HB1  ))   ((resid  55 and name HN   ))    3.54  1.74  0.53
 assign ((resid  54 and name HB2  ))   ((resid  55 and name HN   ))    4.25  2.45  0.64
 assign ((resid  55 and name HA   ))   ((resid  56 and name HN   ))    2.82  1.02  0.42
 assign ((resid  55 and name HB   ))   ((resid  56 and name HN   ))    4.50  2.70  0.68
 assign ((resid  55 and name HG1* ))   ((resid  56 and name HN   ))    3.22  1.42  0.48
 assign ((resid  56 and name HA   ))   ((resid  57 and name HN   ))    3.07  1.27  0.46
 assign ((resid  56 and name HB*  ))   ((resid  57 and name HN   ))    2.91  1.11  0.44
 assign ((resid  57 and name HN   ))   ((resid  58 and name HN   ))    5.70  3.90  0.86
 assign ((resid  57 and name HA   ))   ((resid  58 and name HN   ))    2.99  1.19  0.45
 assign ((resid  57 and name HB   ))   ((resid  58 and name HN   ))    3.91  2.11  0.59
 assign ((resid  57 and name HG2* ))   ((resid  58 and name HN   ))    3.22  1.42  0.48
 assign ((resid  58 and name HN   ))   ((resid  59 and name HN   ))    5.19  3.39  0.78
 assign ((resid  58 and name HA   ))   ((resid  59 and name HN   ))    3.14  1.34  0.47
 assign ((resid  58 and name HB2  ))   ((resid  59 and name HN   ))    4.79  2.99  0.72
 assign ((resid  58 and name HB1  ))   ((resid  59 and name HN   ))    4.48  2.68  0.67
 assign ((resid  58 and name HG2  ))   ((resid  59 and name HN   ))    4.37  2.57  0.66
 assign ((resid  58 and name HG1  ))   ((resid  59 and name HN   ))    4.37  2.57  0.66
 assign ((resid  60 and name HB1  ))   ((resid  61 and name HN   ))    4.66  2.86  0.70
 assign ((resid  59 and name HB1  ))   ((resid  61 and name HN   ))    3.36  1.56  0.50
 assign ((resid  60 and name HD2  ))   ((resid  61 and name HN   ))    4.58  2.78  0.69
 assign ((resid  60 and name HD1  ))   ((resid  61 and name HN   ))    4.58  2.78  0.69
 assign ((resid  60 and name HA   ))   ((resid  62 and name HN   ))    4.23  2.43  0.63
 assign ((resid  61 and name HB2  ))   ((resid  62 and name HN   ))    5.26  3.46  0.79
 assign ((resid  61 and name HB1  ))   ((resid  62 and name HN   ))    5.26  3.46  0.79
 assign ((resid  62 and name HN   ))   ((resid  63 and name HB2  ))    5.72  3.92  0.86
 assign ((resid  62 and name HN   ))   ((resid  63 and name HN   ))    3.32  1.52  0.50
 assign ((resid  62 and name HB1  ))   ((resid  63 and name HN   ))    6.50  4.70  0.98
 assign ((resid  64 and name HN   ))   ((resid  64 and name HD*  ))    3.35  1.55  0.50
 assign ((resid  63 and name HA   ))   ((resid  64 and name HN   ))    2.97  1.17  0.45
 assign ((resid  63 and name HB2  ))   ((resid  64 and name HN   ))    4.68  2.88  0.70
 assign ((resid  63 and name HB1  ))   ((resid  64 and name HN   ))    3.98  2.18  0.60
 assign ((resid  64 and name HN   ))   ((resid  65 and name HN   ))    4.47  2.67  0.67
 assign ((resid  64 and name HA   ))   ((resid  65 and name HN   ))    3.10  1.30  0.47
 assign ((resid  64 and name HB2  ))   ((resid  65 and name HN   ))    4.48  2.68  0.67
 assign ((resid  64 and name HB1  ))   ((resid  65 and name HN   ))    3.88  2.08  0.58
 assign ((resid  65 and name HA   ))   ((resid  66 and name HN   ))    3.31  1.51  0.50
 assign ((resid  65 and name HB1  ))   ((resid  66 and name HN   ))    3.34  1.54  0.50
 assign ((resid  65 and name HB2  ))   ((resid  66 and name HN   ))    3.80  2.00  0.57
 assign ((resid  66 and name HN   ))   ((resid  67 and name HN   ))    6.16  4.36  0.92
 assign ((resid  66 and name HA   ))   ((resid  67 and name HN   ))    3.40  1.60  0.51
 assign ((resid  66 and name HB1  ))   ((resid  67 and name HN   ))    3.83  2.03  0.57
 assign ((resid  66 and name HB2  ))   ((resid  67 and name HN   ))    4.63  2.83  0.69
 assign ((resid  68 and name HB1  ))   ((resid  69 and name HN   ))    4.39  2.59  0.66
 assign ((resid  68 and name HD2  ))   ((resid  69 and name HN   ))    3.03  1.23  0.45
 assign ((resid  68 and name HD1  ))   ((resid  69 and name HN   ))    3.94  2.14  0.59
 assign ((resid  69 and name HB2  ))   ((resid  70 and name HN   ))    4.45  2.65  0.67
 assign ((resid  69 and name HB1  ))   ((resid  70 and name HN   ))    4.45  2.65  0.67
 assign ((resid  70 and name HB   ))   ((resid  71 and name HN   ))    5.35  3.55  0.80
 assign ((resid  70 and name HG1* ))   ((resid  71 and name HN   ))    3.12  1.32  0.47
 assign ((resid  70 and name HG2* ))   ((resid  71 and name HN   ))    4.80  3.00  0.72
 assign ((resid  71 and name HB2  ))   ((resid  72 and name HN   ))    4.15  2.35  0.62
 assign ((resid  71 and name HB1  ))   ((resid  72 and name HN   ))    4.15  2.35  0.62
 assign ((resid  72 and name HB   ))   ((resid  73 and name HN   ))    3.29  1.49  0.49
 assign ((resid  72 and name HG2* ))   ((resid  73 and name HN   ))    3.93  2.13  0.59
 assign ((resid  72 and name HD1* ))   ((resid  73 and name HN   ))    4.70  2.90  0.70
 assign ((resid  73 and name HN   ))   ((resid  74 and name HN   ))    3.32  1.52  0.50
 assign ((resid  73 and name HB1  ))   ((resid  74 and name HN   ))    3.44  1.64  0.52
 assign ((resid  74 and name HN   ))   ((resid  76 and name HN   ))    4.84  3.04  0.73
 assign ((resid  74 and name HN   ))   ((resid  75 and name HN   ))    3.55  1.75  0.53
 assign ((resid  74 and name HD1* ))   ((resid  75 and name HN   ))    6.50  4.70  0.98
 assign ((resid  75 and name HB2  ))   ((resid  76 and name HN   ))    4.18  2.38  0.63
 assign ((resid  75 and name HB1  ))   ((resid  76 and name HN   ))    4.18  2.38  0.63
 assign ((resid  76 and name HN   ))   ((resid  77 and name HN   ))    2.89  1.09  0.43
 assign ((resid  78 and name HN   ))   ((resid  79 and name HN   ))    5.35  3.55  0.80
 assign ((resid  79 and name HN   ))   ((resid  80 and name HN   ))    6.50  4.70  0.98
 assign ((resid  79 and name HA   ))   ((resid  80 and name HN   ))    3.18  1.38  0.48
 assign ((resid  79 and name HG2* ))   ((resid  80 and name HN   ))    3.74  1.94  0.56
 assign ((resid  81 and name HD2  ))   ((resid  82 and name HN   ))    4.64  2.84  0.70
 assign ((resid  82 and name HN   ))   ((resid  83 and name HN   ))    3.37  1.57  0.51
 assign ((resid  82 and name HB   ))   ((resid  83 and name HN   ))    3.27  1.47  0.49
 assign ((resid  82 and name HG2* ))   ((resid  83 and name HN   ))    3.88  2.08  0.58
 assign ((resid  82 and name HG1* ))   ((resid  83 and name HN   ))    3.56  1.76  0.53
 assign ((resid  83 and name HN   ))   ((resid  84 and name HN   ))    3.12  1.32  0.47
 assign ((resid  83 and name HB2  ))   ((resid  84 and name HN   ))    6.07  4.27  0.91
 assign ((resid  85 and name HN   ))   ((resid  86 and name HN   ))    4.61  2.81  0.69
 assign ((resid  85 and name HA   ))   ((resid  86 and name HN   ))    2.88  1.08  0.43
 assign ((resid  85 and name HB1  ))   ((resid  86 and name HN   ))    4.33  2.53  0.65
 assign ((resid  86 and name HN   ))   ((resid  87 and name HN   ))    5.00  3.20  0.75
 assign ((resid  86 and name HA   ))   ((resid  87 and name HN   ))    2.76  0.96  0.41
 assign ((resid  86 and name HB2  ))   ((resid  87 and name HN   ))    4.49  2.69  0.67
 assign ((resid  86 and name HB1  ))   ((resid  87 and name HN   ))    4.49  2.69  0.67
 assign ((resid  86 and name HG2  ))   ((resid  87 and name HN   ))    4.08  2.28  0.61
 assign ((resid  86 and name HG1  ))   ((resid  87 and name HN   ))    4.08  2.28  0.61
 assign ((resid  90 and name HB1  ))   ((resid  91 and name HN   ))    3.45  1.65  0.52
 assign ((resid  90 and name HB2  ))   ((resid  91 and name HN   ))    3.38  1.58  0.51
 assign ((resid  90 and name HG2  ))   ((resid  91 and name HN   ))    4.17  2.37  0.63
 assign ((resid  39 and name HA   ))   ((resid  39 and name HE21 ))    6.35  4.55  0.95
 assign ((resid  39 and name HA   ))   ((resid  39 and name HE22 ))    6.35  4.55  0.95
 assign ((resid  75 and name HA   ))   ((resid  75 and name HE21 ))    6.50  4.70  0.98
 assign ((resid  75 and name HB2  ))   ((resid  75 and name HE21 ))    4.80  3.00  0.72
 assign ((resid  75 and name HB1  ))   ((resid  75 and name HE21 ))    4.80  3.00  0.72
 assign ((resid  75 and name HA   ))   ((resid  75 and name HE22 ))    6.50  4.70  0.98
 assign ((resid  75 and name HB2  ))   ((resid  75 and name HE22 ))    4.80  3.00  0.72
 assign ((resid  75 and name HB1  ))   ((resid  75 and name HE22 ))    4.80  3.00  0.72
 assign ((resid  12 and name HN   ))   ((resid  12 and name HB   ))    3.78  1.98  0.57
 assign ((resid  12 and name HN   ))   ((resid  12 and name HG2* ))    4.85  3.05  0.73
 assign ((resid  13 and name HN   ))   ((resid  13 and name HB*  ))    3.57  1.77  0.54
 assign ((resid  17 and name HN   ))   ((resid  17 and name HB*  ))    2.98  1.18  0.45
 assign ((resid  18 and name HN   ))   ((resid  18 and name HB2  ))    3.91  2.11  0.59
 assign ((resid  18 and name HN   ))   ((resid  18 and name HB1  ))    3.91  2.11  0.59
 assign ((resid  19 and name HN   ))   ((resid  19 and name HB2  ))    3.36  1.56  0.50
 assign ((resid  19 and name HN   ))   ((resid  19 and name HB1  ))    3.43  1.63  0.51
 assign ((resid  19 and name HN   ))   ((resid  19 and name HG1  ))    4.55  2.75  0.68
 assign ((resid  20 and name HN   ))   ((resid  20 and name HB2  ))    3.00  1.20  0.45
 assign ((resid  20 and name HN   ))   ((resid  20 and name HG2  ))    3.79  1.99  0.57
 assign ((resid  20 and name HN   ))   ((resid  20 and name HG1  ))    3.79  1.99  0.57
 assign ((resid  22 and name HN   ))   ((resid  22 and name HB   ))    2.91  1.11  0.44
 assign ((resid  22 and name HN   ))   ((resid  22 and name HG11 ))    2.94  1.14  0.44
 assign ((resid  22 and name HN   ))   ((resid  22 and name HG12 ))    3.84  2.04  0.58
 assign ((resid  23 and name HN   ))   ((resid  23 and name HB2  ))    2.90  1.10  0.44
 assign ((resid  23 and name HN   ))   ((resid  23 and name HB1  ))    3.04  1.24  0.46
 assign ((resid  24 and name HN   ))   ((resid  24 and name HB*  ))    2.64  0.84  0.40
 assign ((resid  25 and name HN   ))   ((resid  25 and name HB2  ))    3.06  1.26  0.46
 assign ((resid  25 and name HN   ))   ((resid  25 and name HB1  ))    3.78  1.98  0.57
 assign ((resid  25 and name HN   ))   ((resid  25 and name HG   ))    3.03  1.23  0.45
 assign ((resid  25 and name HN   ))   ((resid  25 and name HD1* ))    3.51  1.71  0.53
 assign ((resid  27 and name HN   ))   ((resid  27 and name HB2  ))    3.06  1.26  0.46
 assign ((resid  27 and name HN   ))   ((resid  27 and name HB1  ))    3.83  2.03  0.57
 assign ((resid  27 and name HN   ))   ((resid  27 and name HG1  ))    3.46  1.66  0.52
 assign ((resid  28 and name HN   ))   ((resid  28 and name HB   ))    3.24  1.44  0.49
 assign ((resid  28 and name HN   ))   ((resid  28 and name HG2* ))    3.82  2.02  0.57
 assign ((resid  28 and name HN   ))   ((resid  28 and name HG12 ))    4.26  2.46  0.64
 assign ((resid  28 and name HN   ))   ((resid  28 and name HG11 ))    3.54  1.74  0.53
 assign ((resid  28 and name HN   ))   ((resid  28 and name HD1* ))    3.78  1.98  0.57
 assign ((resid  29 and name HN   ))   ((resid  29 and name HB1  ))    2.81  1.01  0.42
 assign ((resid  30 and name HN   ))   ((resid  30 and name HB   ))    3.21  1.41  0.48
 assign ((resid  30 and name HN   ))   ((resid  30 and name HG2* ))    2.97  1.17  0.45
 assign ((resid  31 and name HN   ))   ((resid  31 and name HG2* ))    3.57  1.77  0.54
 assign ((resid  33 and name HN   ))   ((resid  33 and name HB2  ))    3.93  2.13  0.59
 assign ((resid  33 and name HN   ))   ((resid  33 and name HB1  ))    3.93  2.13  0.59
 assign ((resid  36 and name HN   ))   ((resid  36 and name HB*  ))    3.02  1.22  0.45
 assign ((resid  39 and name HN   ))   ((resid  39 and name HB2  ))    4.15  2.35  0.62
 assign ((resid  39 and name HN   ))   ((resid  39 and name HB1  ))    4.15  2.35  0.62
 assign ((resid  39 and name HB1  ))   ((resid  40 and name HN   ))    4.21  2.41  0.63
 assign ((resid  39 and name HG2  ))   ((resid  40 and name HN   ))    3.97  2.17  0.60
 assign ((resid  39 and name HG1  ))   ((resid  40 and name HN   ))    3.97  2.17  0.60
 assign ((resid  40 and name HN   ))   ((resid  40 and name HG1  ))    4.75  2.95  0.71
 assign ((resid  41 and name HN   ))   ((resid  41 and name HB1  ))    3.36  1.56  0.50
 assign ((resid  41 and name HN   ))   ((resid  41 and name HG2  ))    3.97  2.17  0.60
 assign ((resid  41 and name HN   ))   ((resid  41 and name HG1  ))    3.97  2.17  0.60
 assign ((resid  41 and name HN   ))   ((resid  41 and name HE*  ))    3.51  1.71  0.53
 assign ((resid  42 and name HN   ))   ((resid  42 and name HB2  ))    4.11  2.31  0.62
 assign ((resid  42 and name HN   ))   ((resid  42 and name HB1  ))    4.11  2.31  0.62
 assign ((resid  43 and name HN   ))   ((resid  43 and name HB2  ))    3.31  1.51  0.50
 assign ((resid  43 and name HN   ))   ((resid  43 and name HB1  ))    3.21  1.41  0.48
 assign ((resid  44 and name HG2  ))   ((resid  45 and name HN   ))    3.41  1.61  0.51
 assign ((resid  45 and name HN   ))   ((resid  45 and name HB   ))    3.66  1.86  0.55
 assign ((resid  45 and name HN   ))   ((resid  45 and name HG2* ))    3.82  2.02  0.57
 assign ((resid  45 and name HN   ))   ((resid  45 and name HG12 ))    4.25  2.45  0.64
 assign ((resid  45 and name HN   ))   ((resid  45 and name HG11 ))    4.25  2.45  0.64
 assign ((resid  45 and name HN   ))   ((resid  45 and name HD1* ))    4.04  2.24  0.61
 assign ((resid  43 and name HB1  ))   ((resid  46 and name HN   ))    4.17  2.37  0.63
 assign ((resid  48 and name HN   ))   ((resid  48 and name HB2  ))    3.55  1.75  0.53
 assign ((resid  48 and name HN   ))   ((resid  48 and name HB1  ))    3.55  1.75  0.53
 assign ((resid  49 and name HN   ))   ((resid  49 and name HB2  ))    3.77  1.97  0.57
 assign ((resid  49 and name HN   ))   ((resid  49 and name HB1  ))    3.77  1.97  0.57
 assign ((resid  50 and name HN   ))   ((resid  50 and name HB1  ))    3.94  2.14  0.59
 assign ((resid  50 and name HN   ))   ((resid  50 and name HB2  ))    3.58  1.78  0.54
 assign ((resid  50 and name HN   ))   ((resid  50 and name HE*  ))    5.06  3.26  0.76
 assign ((resid  51 and name HN   ))   ((resid  51 and name HB   ))    3.84  2.04  0.58
 assign ((resid  51 and name HN   ))   ((resid  51 and name HG1* ))    3.42  1.62  0.51
 assign ((resid  51 and name HN   ))   ((resid  51 and name HG2* ))    2.94  1.14  0.44
 assign ((resid  52 and name HN   ))   ((resid  52 and name HB2  ))    3.12  1.32  0.47
 assign ((resid  52 and name HN   ))   ((resid  52 and name HB1  ))    3.12  1.32  0.47
 assign ((resid  52 and name HN   ))   ((resid  52 and name HG2  ))    5.26  3.46  0.79
 assign ((resid  52 and name HN   ))   ((resid  52 and name HG1  ))    5.26  3.46  0.79
 assign ((resid  54 and name HN   ))   ((resid  54 and name HB1  ))    3.69  1.89  0.55
 assign ((resid  54 and name HN   ))   ((resid  54 and name HB2  ))    3.18  1.38  0.48
 assign ((resid  55 and name HN   ))   ((resid  55 and name HB   ))    3.05  1.25  0.46
 assign ((resid  55 and name HN   ))   ((resid  55 and name HG2* ))    2.89  1.09  0.43
 assign ((resid  56 and name HN   ))   ((resid  56 and name HB*  ))    3.15  1.35  0.47
 assign ((resid  57 and name HN   ))   ((resid  57 and name HB   ))    4.05  2.25  0.61
 assign ((resid  57 and name HN   ))   ((resid  57 and name HG2* ))    3.05  1.25  0.46
 assign ((resid  58 and name HN   ))   ((resid  58 and name HB2  ))    3.75  1.95  0.56
 assign ((resid  58 and name HN   ))   ((resid  58 and name HB1  ))    4.16  2.36  0.62
 assign ((resid  58 and name HN   ))   ((resid  58 and name HG2  ))    5.10  3.30  0.77
 assign ((resid  58 and name HN   ))   ((resid  58 and name HG1  ))    5.10  3.30  0.77
 assign ((resid  59 and name HN   ))   ((resid  59 and name HB1  ))    3.79  1.99  0.57
 assign ((resid  59 and name HN   ))   ((resid  59 and name HB2  ))    3.35  1.55  0.50
 assign ((resid  59 and name HN   ))   ((resid  59 and name HG   ))    3.79  1.99  0.57
 assign ((resid  59 and name HN   ))   ((resid  59 and name HD1* ))    4.10  2.30  0.62
 assign ((resid  59 and name HN   ))   ((resid  59 and name HD2* ))    4.13  2.33  0.62
 assign ((resid  61 and name HN   ))   ((resid  61 and name HB2  ))    3.77  1.97  0.57
 assign ((resid  61 and name HN   ))   ((resid  61 and name HB1  ))    3.77  1.97  0.57
 assign ((resid  62 and name HN   ))   ((resid  62 and name HA   ))    2.89  1.09  0.43
 assign ((resid  63 and name HN   ))   ((resid  63 and name HB2  ))    3.42  1.62  0.51
 assign ((resid  63 and name HN   ))   ((resid  63 and name HB1  ))    3.77  1.97  0.57
 assign ((resid  61 and name HN   ))   ((resid  63 and name HN   ))    4.20  2.40  0.63
 assign ((resid  64 and name HN   ))   ((resid  64 and name HB2  ))    3.32  1.52  0.50
 assign ((resid  64 and name HN   ))   ((resid  64 and name HB1  ))    3.93  2.13  0.59
 assign ((resid  64 and name HN   ))   ((resid  64 and name HE*  ))    5.74  3.94  0.86
 assign ((resid  65 and name HN   ))   ((resid  65 and name HB2  ))    4.13  2.33  0.62
 assign ((resid  65 and name HN   ))   ((resid  65 and name HD*  ))    6.45  4.65  0.97
 assign ((resid  66 and name HN   ))   ((resid  66 and name HB1  ))    3.77  1.97  0.57
 assign ((resid  66 and name HN   ))   ((resid  66 and name HB2  ))    3.44  1.64  0.52
 assign ((resid  67 and name HN   ))   ((resid  67 and name HB1  ))    3.63  1.83  0.54
 assign ((resid  67 and name HN   ))   ((resid  67 and name HB2  ))    3.74  1.94  0.56
 assign ((resid  66 and name HB1  ))   ((resid  69 and name HN   ))    3.02  1.22  0.45
 assign ((resid  69 and name HN   ))   ((resid  69 and name HB2  ))    3.72  1.92  0.56
 assign ((resid  69 and name HN   ))   ((resid  69 and name HB1  ))    3.72  1.92  0.56
 assign ((resid  70 and name HN   ))   ((resid  70 and name HB   ))    3.34  1.54  0.50
 assign ((resid  70 and name HN   ))   ((resid  70 and name HG1* ))    3.01  1.21  0.45
 assign ((resid  70 and name HN   ))   ((resid  70 and name HG2* ))    3.88  2.08  0.58
 assign ((resid  71 and name HN   ))   ((resid  71 and name HB2  ))    3.74  1.94  0.56
 assign ((resid  71 and name HN   ))   ((resid  71 and name HB1  ))    3.74  1.94  0.56
 assign ((resid  72 and name HN   ))   ((resid  72 and name HB   ))    2.90  1.10  0.44
 assign ((resid  72 and name HN   ))   ((resid  72 and name HG2* ))    3.80  2.00  0.57
 assign ((resid  72 and name HN   ))   ((resid  72 and name HG11 ))    3.62  1.82  0.54
 assign ((resid  72 and name HN   ))   ((resid  72 and name HD1* ))    3.62  1.82  0.54
 assign ((resid  73 and name HN   ))   ((resid  73 and name HB2  ))    3.23  1.43  0.48
 assign ((resid  73 and name HN   ))   ((resid  73 and name HB1  ))    3.40  1.60  0.51
 assign ((resid  74 and name HN   ))   ((resid  74 and name HB2  ))    3.82  2.02  0.57
 assign ((resid  74 and name HN   ))   ((resid  74 and name HB1  ))    3.82  2.02  0.57
 assign ((resid  74 and name HN   ))   ((resid  74 and name HG   ))    3.31  1.51  0.50
 assign ((resid  74 and name HN   ))   ((resid  74 and name HD2* ))    4.01  2.21  0.60
 assign ((resid  74 and name HN   ))   ((resid  74 and name HD1* ))    4.00  2.20  0.60
 assign ((resid  75 and name HN   ))   ((resid  75 and name HB2  ))    3.74  1.94  0.56
 assign ((resid  75 and name HN   ))   ((resid  75 and name HB1  ))    3.74  1.94  0.56
 assign ((resid  76 and name HN   ))   ((resid  76 and name HG2  ))    4.32  2.52  0.65
 assign ((resid  76 and name HN   ))   ((resid  76 and name HG1  ))    4.32  2.52  0.65
 assign ((resid  77 and name HN   ))   ((resid  77 and name HB2  ))    3.88  2.08  0.58
 assign ((resid  77 and name HN   ))   ((resid  77 and name HB1  ))    3.88  2.08  0.58
 assign ((resid  74 and name HD2* ))   ((resid  79 and name HN   ))    3.20  1.40  0.48
 assign ((resid  80 and name HN   ))   ((resid  80 and name HB2  ))    3.49  1.69  0.52
 assign ((resid  80 and name HN   ))   ((resid  80 and name HB1  ))    3.49  1.69  0.52
 assign ((resid  82 and name HN   ))   ((resid  82 and name HB   ))    3.44  1.64  0.52
 assign ((resid  82 and name HN   ))   ((resid  82 and name HG2* ))    3.39  1.59  0.51
 assign ((resid  82 and name HN   ))   ((resid  82 and name HG1* ))    4.09  2.29  0.61
 assign ((resid  84 and name HN   ))   ((resid  84 and name HG2  ))    4.95  3.15  0.74
 assign ((resid  84 and name HN   ))   ((resid  84 and name HG1  ))    4.95  3.15  0.74
 assign ((resid  84 and name HN   ))   ((resid  84 and name HD2  ))    5.57  3.77  0.84
 assign ((resid  80 and name HB1  ))   ((resid  84 and name HN   ))    4.05  2.25  0.61
 assign ((resid  85 and name HN   ))   ((resid  85 and name HB2  ))    3.44  1.64  0.52
 assign ((resid  85 and name HN   ))   ((resid  85 and name HB1  ))    3.44  1.64  0.52
 assign ((resid  86 and name HN   ))   ((resid  86 and name HB2  ))    3.17  1.37  0.48
 assign ((resid  86 and name HN   ))   ((resid  86 and name HB1  ))    3.17  1.37  0.48
 assign ((resid  87 and name HN   ))   ((resid  87 and name HB2  ))    3.78  1.98  0.57
 assign ((resid  87 and name HN   ))   ((resid  87 and name HB1  ))    3.78  1.98  0.57
 assign ((resid  87 and name HN   ))   ((resid  87 and name HD*  ))    4.32  2.52  0.65
 assign ((resid  91 and name HN   ))   ((resid  91 and name HB2  ))    2.70  0.90  0.41
 assign ((resid  91 and name HN   ))   ((resid  91 and name HG   ))    2.88  1.08  0.43
 assign ((resid  91 and name HN   ))   ((resid  91 and name HD1* ))    4.11  2.31  0.62
 assign ((resid  91 and name HN   ))   ((resid  91 and name HD2* ))    3.90  2.10  0.59
 assign ((resid  20 and name HN   ))   ((resid  21 and name HN   ))    3.44  1.64  0.52
 assign ((resid  23 and name HN   ))   ((resid  24 and name HN   ))    3.20  1.40  0.48
 assign ((resid  27 and name HN   ))   ((resid  28 and name HN   ))    4.71  2.91  0.71
 assign ((resid  29 and name HN   ))   ((resid  30 and name HN   ))    4.48  2.68  0.67
 assign ((resid  33 and name HN   ))   ((resid  34 and name HN   ))    2.99  1.19  0.45
 assign ((resid  36 and name HN   ))   ((resid  37 and name HN   ))    4.37  2.57  0.66
 assign ((resid  37 and name HN   ))   ((resid  38 and name HN   ))    4.28  2.48  0.64
 assign ((resid  48 and name HN   ))   ((resid  49 and name HN   ))    4.59  2.79  0.69
 assign ((resid  50 and name HN   ))   ((resid  51 and name HN   ))    5.16  3.36  0.77
 assign ((resid  51 and name HN   ))   ((resid  52 and name HN   ))    4.82  3.02  0.72
 assign ((resid  52 and name HN   ))   ((resid  53 and name HN   ))    4.80  3.00  0.72
 assign ((resid  55 and name HN   ))   ((resid  56 and name HN   ))    4.98  3.18  0.75
 assign ((resid  56 and name HN   ))   ((resid  57 and name HN   ))    4.60  2.80  0.69
 assign ((resid  61 and name HN   ))   ((resid  62 and name HN   ))    3.13  1.33  0.47
 assign ((resid  63 and name HN   ))   ((resid  64 and name HN   ))    4.99  3.19  0.75
 assign ((resid  65 and name HN   ))   ((resid  66 and name HN   ))    4.49  2.69  0.67
 assign ((resid  69 and name HN   ))   ((resid  70 and name HN   ))    3.30  1.50  0.50
 assign ((resid  70 and name HN   ))   ((resid  71 and name HN   ))    3.28  1.48  0.49
 assign ((resid  71 and name HN   ))   ((resid  72 and name HN   ))    3.33  1.53  0.50
 assign ((resid  75 and name HN   ))   ((resid  76 and name HN   ))    3.15  1.35  0.47
 assign ((resid  77 and name HN   ))   ((resid  78 and name HN   ))    4.68  2.88  0.70
 assign ((resid  17 and name HN   ))   ((resid  75 and name HA   ))    3.90  2.10  0.59
 assign ((resid  17 and name HN   ))   ((resid  74 and name HD2* ))    5.13  3.33  0.77
 assign ((resid  20 and name HN   ))   ((resid  22 and name HN   ))    4.89  3.09  0.73
 assign ((resid  21 and name HN   ))   ((resid  23 and name HN   ))    4.92  3.12  0.74
 assign ((resid  22 and name HN   ))   ((resid  24 and name HN   ))    4.12  2.32  0.62
 assign ((resid  18 and name HA   ))   ((resid  21 and name HN   ))    4.78  2.98  0.72
 assign ((resid  17 and name HB*  ))   ((resid  22 and name HN   ))    4.41  2.61  0.66
 assign ((resid  22 and name HN   ))   ((resid  23 and name HB2  ))    5.01  3.21  0.75
 assign ((resid  19 and name HA   ))   ((resid  22 and name HN   ))    4.04  2.24  0.61
 assign ((resid  23 and name HN   ))   ((resid  25 and name HN   ))    4.68  2.88  0.70
 assign ((resid  19 and name HA   ))   ((resid  23 and name HN   ))    4.18  2.38  0.63
 assign ((resid  20 and name HA   ))   ((resid  23 and name HN   ))    3.77  1.97  0.57
 assign ((resid  21 and name HA   ))   ((resid  24 and name HN   ))    4.00  2.20  0.60
 assign ((resid  20 and name HA   ))   ((resid  24 and name HN   ))    4.88  3.08  0.73
 assign ((resid  19 and name HB1  ))   ((resid  23 and name HN   ))    6.32  4.52  0.95
 assign ((resid  23 and name HN   ))   ((resid  24 and name HB*  ))    4.35  2.55  0.65
 assign ((resid  19 and name HG2  ))   ((resid  23 and name HN   ))    4.91  3.11  0.74
 assign ((resid  22 and name HG2* ))   ((resid  24 and name HN   ))    4.80  3.00  0.72
 assign ((resid  20 and name HB1  ))   ((resid  24 and name HN   ))    6.22  4.42  0.93
 assign ((resid  25 and name HN   ))   ((resid  26 and name HD2  ))    4.79  2.99  0.72
 assign ((resid  22 and name HA   ))   ((resid  25 and name HN   ))    4.03  2.23  0.60
 assign ((resid  27 and name HN   ))   ((resid  28 and name HG11 ))    5.26  3.46  0.79
 assign ((resid  27 and name HN   ))   ((resid  55 and name HG1* ))    5.35  3.55  0.80
 assign ((resid  28 and name HN   ))   ((resid  56 and name HB*  ))    4.35  2.55  0.65
 assign ((resid  28 and name HN   ))   ((resid  55 and name HG1* ))    3.40  1.60  0.51
 assign ((resid  29 and name HN   ))   ((resid  31 and name HG2* ))    6.12  4.32  0.92
 assign ((resid  29 and name HN   ))   ((resid  56 and name HB*  ))    6.50  4.70  0.98
 assign ((resid  30 and name HN   ))   ((resid  54 and name HN   ))    5.14  3.34  0.77
 assign ((resid  36 and name HB*  ))   ((resid  39 and name HN   ))    5.43  3.63  0.81
 assign ((resid  36 and name HB*  ))   ((resid  40 and name HN   ))    5.01  3.21  0.75
 assign ((resid  42 and name HN   ))   ((resid  50 and name HE*  ))    4.81  3.01  0.72
 assign ((resid  43 and name HN   ))   ((resid  66 and name HE1  ))    5.15  3.35  0.77
 assign ((resid  43 and name HN   ))   ((resid  50 and name HE*  ))    5.42  3.62  0.81
 assign ((resid  43 and name HN   ))   ((resid  50 and name HN   ))    5.70  3.90  0.86
 assign ((resid  43 and name HN   ))   ((resid  48 and name HN   ))    4.45  2.65  0.67
 assign ((resid  43 and name HN   ))   ((resid  47 and name HN   ))    5.58  3.78  0.84
 assign ((resid  43 and name HN   ))   ((resid  44 and name HD2  ))    5.52  3.72  0.83
 assign ((resid  43 and name HN   ))   ((resid  47 and name HA   ))    5.85  4.05  0.88
 assign ((resid  45 and name HN   ))   ((resid  65 and name HE*  ))    5.27  3.47  0.79
 assign ((resid  43 and name HB1  ))   ((resid  45 and name HN   ))    4.69  2.89  0.70
 assign ((resid  44 and name HD2  ))   ((resid  46 and name HN   ))    5.45  3.65  0.82
 assign ((resid  43 and name HN   ))   ((resid  46 and name HN   ))    6.04  4.24  0.91
 assign ((resid  44 and name HA   ))   ((resid  47 and name HN   ))    4.55  2.75  0.68
 assign ((resid  45 and name HB   ))   ((resid  47 and name HN   ))    5.01  3.21  0.75
 assign ((resid  45 and name HG2* ))   ((resid  47 and name HN   ))    5.67  3.87  0.85
 assign ((resid  43 and name HB2  ))   ((resid  47 and name HN   ))    6.11  4.31  0.92
 assign ((resid  43 and name HB1  ))   ((resid  48 and name HN   ))    3.95  2.15  0.59
 assign ((resid  43 and name HB2  ))   ((resid  48 and name HN   ))    5.01  3.21  0.75
 assign ((resid  42 and name HA   ))   ((resid  48 and name HN   ))    6.02  4.22  0.90
 assign ((resid  44 and name HA   ))   ((resid  48 and name HN   ))    6.50  4.70  0.98
 assign ((resid  48 and name HN   ))   ((resid  49 and name HA   ))    6.50  4.70  0.98
 assign ((resid  48 and name HN   ))   ((resid  66 and name HE1  ))    5.17  3.37  0.78
 assign ((resid  49 and name HN   ))   ((resid  51 and name HG1* ))    5.59  3.79  0.84
 assign ((resid  30 and name HG1* ))   ((resid  50 and name HN   ))    5.29  3.49  0.79
 assign ((resid  30 and name HG1* ))   ((resid  51 and name HN   ))    3.80  2.00  0.57
 assign ((resid  51 and name HN   ))   ((resid  54 and name HB2  ))    4.23  2.43  0.63
 assign ((resid  51 and name HN   ))   ((resid  54 and name HN   ))    4.97  3.17  0.75
 assign ((resid  31 and name HA   ))   ((resid  52 and name HN   ))    4.47  2.67  0.67
 assign ((resid  30 and name HB   ))   ((resid  53 and name HN   ))    3.90  2.10  0.59
 assign ((resid  30 and name HG1* ))   ((resid  53 and name HN   ))    4.37  2.57  0.66
 assign ((resid  30 and name HB   ))   ((resid  54 and name HN   ))    3.34  1.54  0.50
 assign ((resid  54 and name HN   ))   ((resid  66 and name HD2  ))    6.14  4.34  0.92
 assign ((resid  30 and name HN   ))   ((resid  55 and name HN   ))    5.29  3.49  0.79
 assign ((resid  30 and name HG2* ))   ((resid  55 and name HN   ))    4.58  2.78  0.69
 assign ((resid  55 and name HN   ))   ((resid  66 and name HB1  ))    6.50  4.70  0.98
 assign ((resid  55 and name HN   ))   ((resid  68 and name HD2  ))    6.50  4.70  0.98
 assign ((resid  30 and name HN   ))   ((resid  56 and name HN   ))    4.75  2.95  0.71
 assign ((resid  57 and name HN   ))   ((resid  66 and name HA   ))    4.17  2.37  0.63
 assign ((resid  57 and name HN   ))   ((resid  65 and name HN   ))    3.46  1.66  0.52
 assign ((resid  57 and name HN   ))   ((resid  57 and name HG1  ))    4.85  3.05  0.73
 assign ((resid  50 and name HE*  ))   ((resid  57 and name HN   ))    5.94  4.14  0.89
 assign ((resid  28 and name HD1* ))   ((resid  56 and name HN   ))    5.30  3.50  0.80
 assign ((resid  29 and name HD1* ))   ((resid  56 and name HN   ))    5.77  3.97  0.87
 assign ((resid  30 and name HG2* ))   ((resid  56 and name HN   ))    3.73  1.93  0.56
 assign ((resid  28 and name HB   ))   ((resid  56 and name HN   ))    4.00  2.20  0.60
 assign ((resid  28 and name HB   ))   ((resid  57 and name HN   ))    5.25  3.45  0.79
 assign ((resid  57 and name HN   ))   ((resid  67 and name HB2  ))    5.52  3.72  0.83
 assign ((resid  57 and name HN   ))   ((resid  65 and name HB2  ))    6.10  4.30  0.92
 assign ((resid  57 and name HN   ))   ((resid  67 and name HB1  ))    6.50  4.70  0.98
 assign ((resid  57 and name HN   ))   ((resid  67 and name HN   ))    4.61  2.81  0.69
 assign ((resid  57 and name HG1  ))   ((resid  58 and name HN   ))    3.43  1.63  0.51
 assign ((resid  58 and name HN   ))   ((resid  67 and name HB2  ))    6.50  4.70  0.98
 assign ((resid  26 and name HB2  ))   ((resid  58 and name HN   ))    4.49  2.69  0.67
 assign ((resid  25 and name HB1  ))   ((resid  58 and name HN   ))    5.56  3.76  0.83
 assign ((resid  26 and name HG1  ))   ((resid  58 and name HN   ))    3.60  1.80  0.54
 assign ((resid  26 and name HG2  ))   ((resid  58 and name HN   ))    3.97  2.17  0.60
 assign ((resid  59 and name HN   ))   ((resid  64 and name HN   ))    5.11  3.31  0.77
 assign ((resid  59 and name HN   ))   ((resid  65 and name HE*  ))    6.11  4.31  0.92
 assign ((resid  59 and name HN   ))   ((resid  64 and name HA   ))    4.30  2.50  0.65
 assign ((resid  61 and name HN   ))   ((resid  62 and name HA   ))    4.83  3.03  0.72
 assign ((resid  59 and name HA   ))   ((resid  61 and name HN   ))    5.92  4.12  0.89
 assign ((resid  59 and name HD1* ))   ((resid  61 and name HN   ))    4.88  3.08  0.73
 assign ((resid  59 and name HD2* ))   ((resid  61 and name HN   ))    5.27  3.47  0.79
 assign ((resid  59 and name HB2  ))   ((resid  62 and name HN   ))    4.69  2.89  0.70
 assign ((resid  59 and name HB1  ))   ((resid  62 and name HN   ))    5.92  4.12  0.89
 assign ((resid  60 and name HB2  ))   ((resid  62 and name HN   ))    6.49  4.69  0.97
 assign ((resid  59 and name HN   ))   ((resid  63 and name HN   ))    4.19  2.39  0.63
 assign ((resid  59 and name HB2  ))   ((resid  63 and name HN   ))    4.32  2.52  0.65
 assign ((resid  59 and name HB1  ))   ((resid  63 and name HN   ))    5.26  3.46  0.79
 assign ((resid  59 and name HD1* ))   ((resid  63 and name HN   ))    6.50  4.70  0.98
 assign ((resid  58 and name HA   ))   ((resid  65 and name HN   ))    4.67  2.87  0.70
 assign ((resid  57 and name HG2* ))   ((resid  65 and name HN   ))    3.94  2.14  0.59
 assign ((resid  43 and name HB2  ))   ((resid  66 and name HN   ))    4.41  2.61  0.66
 assign ((resid  66 and name HN   ))   ((resid  70 and name HG1* ))    5.56  3.76  0.83
 assign ((resid  45 and name HD1* ))   ((resid  66 and name HN   ))    5.77  3.97  0.87
 assign ((resid  56 and name HA   ))   ((resid  66 and name HN   ))    5.08  3.28  0.76
 assign ((resid  50 and name HE*  ))   ((resid  66 and name HN   ))    4.13  2.33  0.62
 assign ((resid  69 and name HN   ))   ((resid  71 and name HN   ))    4.69  2.89  0.70
 assign ((resid  66 and name HN   ))   ((resid  69 and name HN   ))    4.94  3.14  0.74
 assign ((resid  67 and name HN   ))   ((resid  69 and name HN   ))    5.92  4.12  0.89
 assign ((resid  66 and name HA   ))   ((resid  69 and name HN   ))    4.61  2.81  0.69
 assign ((resid  66 and name HB2  ))   ((resid  69 and name HN   ))    3.38  1.58  0.51
 assign ((resid  67 and name HB2  ))   ((resid  69 and name HN   ))    6.25  4.45  0.94
 assign ((resid  69 and name HN   ))   ((resid  70 and name HB   ))    6.48  4.68  0.97
 assign ((resid  57 and name HG2* ))   ((resid  69 and name HN   ))    6.05  4.25  0.91
 assign ((resid  69 and name HN   ))   ((resid  70 and name HG1* ))    4.31  2.51  0.65
 assign ((resid  45 and name HD1* ))   ((resid  69 and name HN   ))    5.21  3.41  0.78
 assign ((resid  70 and name HN   ))   ((resid  72 and name HN   ))    5.17  3.37  0.78
 assign ((resid  70 and name HN   ))   ((resid  73 and name HN   ))    5.69  3.89  0.85
 assign ((resid  57 and name HG2* ))   ((resid  70 and name HN   ))    4.69  2.89  0.70
 assign ((resid  45 and name HG2* ))   ((resid  70 and name HN   ))    5.46  3.66  0.82
 assign ((resid  65 and name HB2  ))   ((resid  70 and name HN   ))    5.35  3.55  0.80
 assign ((resid  70 and name HN   ))   ((resid  73 and name HB2  ))    6.23  4.43  0.93
 assign ((resid  70 and name HN   ))   ((resid  73 and name HB1  ))    6.45  4.65  0.97
 assign ((resid  65 and name HB1  ))   ((resid  70 and name HN   ))    4.80  3.00  0.72
 assign ((resid  66 and name HB2  ))   ((resid  70 and name HN   ))    4.99  3.19  0.75
 assign ((resid  68 and name HA   ))   ((resid  71 and name HN   ))    4.39  2.59  0.66
 assign ((resid  71 and name HN   ))   ((resid  72 and name HB   ))    6.33  4.53  0.95
 assign ((resid  71 and name HN   ))   ((resid  74 and name HD1* ))    4.79  2.99  0.72
 assign ((resid  22 and name HG2* ))   ((resid  71 and name HN   ))    4.35  2.55  0.65
 assign ((resid  72 and name HN   ))   ((resid  73 and name HB2  ))    5.69  3.89  0.85
 assign ((resid  72 and name HN   ))   ((resid  73 and name HB1  ))    6.00  4.20  0.90
 assign ((resid  72 and name HN   ))   ((resid  74 and name HN   ))    6.34  4.54  0.95
 assign ((resid  45 and name HD1* ))   ((resid  73 and name HN   ))    4.87  3.07  0.73
 assign ((resid  70 and name HG2* ))   ((resid  73 and name HN   ))    5.23  3.43  0.78
 assign ((resid  70 and name HA   ))   ((resid  73 and name HN   ))    3.79  1.99  0.57
 assign ((resid  70 and name HG2* ))   ((resid  74 and name HN   ))    4.13  2.33  0.62
 assign ((resid  22 and name HD1* ))   ((resid  74 and name HN   ))    4.62  2.82  0.69
 assign ((resid  70 and name HG1* ))   ((resid  74 and name HN   ))    5.27  3.47  0.79
 assign ((resid  72 and name HG2* ))   ((resid  74 and name HN   ))    5.62  3.82  0.84
 assign ((resid  75 and name HN   ))   ((resid  77 and name HN   ))    4.48  2.68  0.67
 assign ((resid  22 and name HD1* ))   ((resid  75 and name HN   ))    3.93  2.13  0.59
 assign ((resid  22 and name HG2* ))   ((resid  75 and name HN   ))    5.21  3.41  0.78
 assign ((resid  72 and name HG2* ))   ((resid  75 and name HN   ))    5.52  3.72  0.83
 assign ((resid  72 and name HA   ))   ((resid  75 and name HN   ))    4.28  2.48  0.64
 assign ((resid  72 and name HA   ))   ((resid  75 and name HE21 ))    4.43  2.63  0.66
 assign ((resid  74 and name HA   ))   ((resid  76 and name HN   ))    4.87  3.07  0.73
 assign ((resid  74 and name HD2* ))   ((resid  77 and name HN   ))    5.30  3.50  0.80
 assign ((resid  74 and name HA   ))   ((resid  77 and name HN   ))    3.91  2.11  0.59
 assign ((resid  14 and name HB2  ))   ((resid  78 and name HN   ))    6.50  4.70  0.98
 assign ((resid  14 and name HB1  ))   ((resid  78 and name HN   ))    6.50  4.70  0.98
 assign ((resid  17 and name HB*  ))   ((resid  78 and name HN   ))    5.24  3.44  0.79
 assign ((resid  74 and name HD2* ))   ((resid  78 and name HN   ))    4.73  2.93  0.71
 assign ((resid  78 and name HN   ))   ((resid  79 and name HG2* ))    5.35  3.55  0.80
 assign ((resid  16 and name HA   ))   ((resid  78 and name HN   ))    3.76  1.96  0.56
 assign ((resid  17 and name HN   ))   ((resid  78 and name HN   ))    4.32  2.52  0.65
 assign ((resid  59 and name HD1* ))   ((resid  80 and name HN   ))    5.26  3.46  0.79
 assign ((resid  80 and name HN   ))   ((resid  81 and name HD2  ))    6.14  4.34  0.92
 assign ((resid  80 and name HN   ))   ((resid  86 and name HA   ))    5.35  3.55  0.80
 assign ((resid  80 and name HA   ))   ((resid  82 and name HN   ))    6.50  4.70  0.98
 assign ((resid  65 and name HZ   ))   ((resid  82 and name HN   ))    4.64  2.84  0.70
 assign ((resid  65 and name HE*  ))   ((resid  82 and name HN   ))    6.50  4.70  0.98
 assign ((resid  80 and name HB1  ))   ((resid  83 and name HN   ))    4.51  2.71  0.68
 assign ((resid  80 and name HB2  ))   ((resid  83 and name HN   ))    4.51  2.71  0.68
 assign ((resid  83 and name HN   ))   ((resid  84 and name HA   ))    4.97  3.17  0.75
 assign ((resid  63 and name HE1  ))   ((resid  83 and name HN   ))    5.00  3.20  0.75
 assign ((resid  82 and name HN   ))   ((resid  84 and name HN   ))    4.19  2.39  0.63
 assign ((resid  82 and name HB   ))   ((resid  84 and name HN   ))    4.71  2.91  0.71
 assign ((resid  79 and name HB   ))   ((resid  84 and name HN   ))    5.14  3.34  0.77
 assign ((resid  82 and name HA   ))   ((resid  84 and name HN   ))    5.42  3.62  0.81
 assign ((resid  80 and name HN   ))   ((resid  85 and name HN   ))    3.75  1.95  0.56
 assign ((resid  79 and name HA   ))   ((resid  85 and name HN   ))    5.05  3.25  0.76
 assign ((resid  59 and name HD1* ))   ((resid  85 and name HN   ))    6.50  4.70  0.98
 assign ((resid  79 and name HA   ))   ((resid  87 and name HN   ))    3.85  2.05  0.58
 assign ((resid  79 and name HG2* ))   ((resid  87 and name HN   ))    3.96  2.16  0.59
 assign ((resid  73 and name HE1  ))   ((resid  79 and name HN   ))    4.18  2.38  0.63
 assign ((resid  73 and name HE1  ))   ((resid  81 and name HA   ))    4.39  2.59  0.66
 assign ((resid  73 and name HE1  ))   ((resid  79 and name HB   ))    4.67  2.87  0.70
 assign ((resid  73 and name HE1  ))   ((resid  81 and name HD1  ))    4.10  2.30  0.62
 assign ((resid  73 and name HE1  ))   ((resid  74 and name HD2* ))    4.40  2.60  0.66
 assign ((resid  73 and name HE1  ))   ((resid  81 and name HB2  ))    5.84  4.04  0.88
 assign ((resid  45 and name HD1* ))   ((resid  73 and name HE1  ))    6.40  4.60  0.96
 assign ((resid  73 and name HE1  ))   ((resid  81 and name HG2  ))    5.87  4.07  0.88
 assign ((resid  14 and name HD21 ))   ((resid  86 and name HA   ))    4.50  2.70  0.68
 assign ((resid  14 and name HD21 ))   ((resid  79 and name HG2* ))    4.07  2.27  0.61
 assign ((resid  14 and name HD22 ))   ((resid  79 and name HG2* ))    4.07  2.27  0.61
 assign ((resid  57 and name HG2* ))   ((resid  66 and name HN   ))    6.50  4.70  0.98
 assign ((resid  67 and name HN   ))   ((resid  68 and name HD1  ))    3.71  1.91  0.56
 assign ((resid  15 and name HA   ))   ((resid  78 and name HN   ))    6.13  4.33  0.92
 assign ((resid  74 and name HA   ))   ((resid  78 and name HN   ))    6.36  4.56  0.95
 assign ((resid  56 and name HA   ))   ((resid  67 and name HN   ))    3.41  1.61  0.51
 assign ((resid  17 and name HN   ))   ((resid  87 and name HD*  ))    6.50  4.70  0.98
 assign ((resid  20 and name HA   ))   ((resid  22 and name HN   ))    5.34  3.54  0.80
 assign ((resid  28 and name HN   ))   ((resid  56 and name HN   ))    4.01  2.21  0.60
 assign ((resid  26 and name HD2  ))   ((resid  58 and name HN   ))    3.56  1.76  0.53
 assign ((resid  25 and name HA   ))   ((resid  58 and name HN   ))    5.87  4.07  0.88
 assign ((resid  56 and name HB*  ))   ((resid  67 and name HN   ))    4.68  2.88  0.70
 assign ((resid  55 and name HG1* ))   ((resid  67 and name HN   ))    4.30  2.50  0.65
 assign ((resid  57 and name HG2* ))   ((resid  67 and name HN   ))    4.72  2.92  0.71
 assign ((resid  39 and name HE21 ))   ((resid  63 and name HD2  ))    4.88  3.08  0.73
 assign ((resid  39 and name HE22 ))   ((resid  63 and name HD2  ))    4.88  3.08  0.73
 assign ((resid  58 and name HA   ))   ((resid  64 and name HN   ))    5.65  3.85  0.85
 assign ((resid  80 and name HB2  ))   ((resid  84 and name HN   ))    4.05  2.25  0.61
 assign ((resid  18 and name HN   ))   ((resid  88 and name HG2  ))    6.50  4.70  0.98
 assign ((resid  74 and name HA   ))   ((resid  79 and name HN   ))    5.19  3.39  0.78
 assign ((resid  87 and name HN   ))   ((resid  88 and name HA   ))    6.50  4.70  0.98
 assign ((resid  90 and name HD2  ))   ((resid  91 and name HN   ))    5.41  3.61  0.81
 assign ((resid  55 and name HB   ))   ((resid  67 and name HN   ))    4.26  2.46  0.64
 assign ((resid  59 and name HB2  ))   ((resid  61 and name HN   ))    3.86  2.06  0.58
 assign ((resid  46 and name HN   ))   ((resid  48 and name HN   ))    4.66  2.86  0.70
 assign ((resid  72 and name HA   ))   ((resid  75 and name HE22 ))    4.43  2.63  0.66
 assign ((resid  18 and name HN   ))   ((resid  88 and name HD2  ))    4.70  2.90  0.70
 assign ((resid  18 and name HN   ))   ((resid  88 and name HD1  ))    4.70  2.90  0.70
 assign ((resid  11 and name HA   ))   ((resid  11 and name HG2  ))    3.89  2.09  0.58
 assign ((resid  11 and name HA   ))   ((resid  11 and name HG1  ))    3.89  2.09  0.58
 assign ((resid  12 and name HA   ))   ((resid  12 and name HG1* ))    3.41  1.61  0.51
 assign ((resid  12 and name HA   ))   ((resid  12 and name HG2* ))    3.41  1.61  0.51
 assign ((resid  12 and name HN   ))   ((resid  12 and name HG1* ))    4.85  3.05  0.73
 assign ((resid  86 and name HE*  ))   ((resid  90 and name HD2  ))    5.09  3.29  0.76
 assign ((resid  44 and name HG2  ))   ((resid  45 and name HA   ))    4.92  3.12  0.74
 assign ((resid  19 and name HA   ))   ((resid  19 and name HB2  ))    3.02  1.22  0.45
 assign ((resid  19 and name HA   ))   ((resid  22 and name HB   ))    3.46  1.66  0.52
 assign ((resid  19 and name HA   ))   ((resid  19 and name HG1  ))    3.68  1.88  0.55
 assign ((resid  19 and name HA   ))   ((resid  19 and name HG2  ))    3.67  1.87  0.55
 assign ((resid  19 and name HB2  ))   ((resid  19 and name HD2  ))    4.22  2.42  0.63
 assign ((resid  19 and name HG1  ))   ((resid  19 and name HE2  ))    4.02  2.22  0.60
 assign ((resid  19 and name HG1  ))   ((resid  19 and name HE1  ))    4.02  2.22  0.60
 assign ((resid  19 and name HN   ))   ((resid  19 and name HG2  ))    4.84  3.04  0.73
 assign ((resid  19 and name HG2  ))   ((resid  19 and name HD2  ))    2.85  1.05  0.43
 assign ((resid  19 and name HG2  ))   ((resid  19 and name HD1  ))    2.85  1.05  0.43
 assign ((resid  19 and name HA   ))   ((resid  19 and name HD2  ))    4.94  3.14  0.74
 assign ((resid  19 and name HA   ))   ((resid  19 and name HD1  ))    4.94  3.14  0.74
 assign ((resid  19 and name HB2  ))   ((resid  19 and name HD1  ))    4.22  2.42  0.63
 assign ((resid  20 and name HA   ))   ((resid  20 and name HG2  ))    3.72  1.92  0.56
 assign ((resid  20 and name HN   ))   ((resid  20 and name HB1  ))    3.76  1.96  0.56
 assign ((resid  20 and name HA   ))   ((resid  20 and name HG1  ))    3.72  1.92  0.56
 assign ((resid  22 and name HA   ))   ((resid  22 and name HG11 ))    3.72  1.92  0.56
 assign ((resid  22 and name HA   ))   ((resid  22 and name HG12 ))    3.47  1.67  0.52
 assign ((resid  22 and name HN   ))   ((resid  22 and name HG2* ))    3.79  1.99  0.57
 assign ((resid  22 and name HA   ))   ((resid  22 and name HG2* ))    3.18  1.38  0.48
 assign ((resid  22 and name HG2* ))   ((resid  22 and name HG11 ))    3.23  1.43  0.48
 assign ((resid  22 and name HG2* ))   ((resid  22 and name HG12 ))    2.95  1.15  0.44
 assign ((resid  22 and name HB   ))   ((resid  22 and name HG11 ))    2.57  0.77  0.39
 assign ((resid  22 and name HG12 ))   ((resid  74 and name HB2  ))    4.63  2.83  0.69
 assign ((resid  22 and name HN   ))   ((resid  22 and name HD1* ))    3.83  2.03  0.57
 assign ((resid  22 and name HA   ))   ((resid  22 and name HD1* ))    4.08  2.28  0.61
 assign ((resid  22 and name HB   ))   ((resid  22 and name HD1* ))    3.07  1.27  0.46
 assign ((resid  22 and name HD1* ))   ((resid  74 and name HB2  ))    3.71  1.91  0.56
 assign ((resid  22 and name HG2* ))   ((resid  22 and name HD1* ))    2.76  0.96  0.41
 assign ((resid  25 and name HA   ))   ((resid  25 and name HG   ))    3.72  1.92  0.56
 assign ((resid  25 and name HA   ))   ((resid  25 and name HD1* ))    4.09  2.29  0.61
 assign ((resid  25 and name HB2  ))   ((resid  25 and name HD1* ))    3.58  1.78  0.54
 assign ((resid  23 and name HA   ))   ((resid  25 and name HD1* ))    5.38  3.58  0.81
 assign ((resid  25 and name HB1  ))   ((resid  25 and name HD1* ))    3.66  1.86  0.55
 assign ((resid  22 and name HG2* ))   ((resid  25 and name HD1* ))    3.15  1.35  0.47
 assign ((resid  25 and name HN   ))   ((resid  25 and name HD2* ))    3.86  2.06  0.58
 assign ((resid  25 and name HA   ))   ((resid  25 and name HD2* ))    2.91  1.11  0.44
 assign ((resid  25 and name HB2  ))   ((resid  25 and name HD2* ))    3.63  1.83  0.54
 assign ((resid  25 and name HB1  ))   ((resid  25 and name HD2* ))    3.50  1.70  0.53
 assign ((resid  27 and name HB1  ))   ((resid  27 and name HG2  ))    2.88  1.08  0.43
 assign ((resid  27 and name HA   ))   ((resid  27 and name HG1  ))    3.95  2.15  0.59
 assign ((resid  27 and name HB2  ))   ((resid  27 and name HG1  ))    2.75  0.95  0.41
 assign ((resid  27 and name HN   ))   ((resid  27 and name HG2  ))    4.44  2.64  0.67
 assign ((resid  27 and name HA   ))   ((resid  27 and name HG2  ))    3.93  2.13  0.59
 assign ((resid  28 and name HA   ))   ((resid  28 and name HG12 ))    3.78  1.98  0.57
 assign ((resid  28 and name HA   ))   ((resid  28 and name HG11 ))    3.74  1.94  0.56
 assign ((resid  28 and name HA   ))   ((resid  28 and name HD1* ))    3.90  2.10  0.59
 assign ((resid  28 and name HA   ))   ((resid  28 and name HG2* ))    3.05  1.25  0.46
 assign ((resid  28 and name HG2* ))   ((resid  28 and name HG12 ))    2.97  1.17  0.45
 assign ((resid  28 and name HG2* ))   ((resid  28 and name HG11 ))    3.16  1.36  0.47
 assign ((resid  28 and name HB   ))   ((resid  28 and name HD1* ))    3.01  1.21  0.45
 assign ((resid  28 and name HG2* ))   ((resid  28 and name HD1* ))    2.71  0.91  0.41
 assign ((resid  29 and name HN   ))   ((resid  29 and name HG   ))    4.38  2.58  0.66
 assign ((resid  29 and name HA   ))   ((resid  29 and name HG   ))    4.07  2.27  0.61
 assign ((resid  29 and name HB1  ))   ((resid  29 and name HG   ))    2.55  0.75  0.38
 assign ((resid  29 and name HN   ))   ((resid  29 and name HD1* ))    4.49  2.69  0.67
 assign ((resid  29 and name HA   ))   ((resid  29 and name HD1* ))    3.04  1.24  0.46
 assign ((resid  29 and name HB2  ))   ((resid  29 and name HD1* ))    2.79  0.99  0.42
 assign ((resid  29 and name HN   ))   ((resid  29 and name HD2* ))    4.24  2.44  0.64
 assign ((resid  29 and name HA   ))   ((resid  29 and name HD2* ))    3.96  2.16  0.59
 assign ((resid  29 and name HB2  ))   ((resid  29 and name HD2* ))    2.72  0.92  0.41
 assign ((resid  29 and name HB1  ))   ((resid  29 and name HD2* ))    2.90  1.10  0.44
 assign ((resid  30 and name HA   ))   ((resid  30 and name HG1* ))    2.94  1.14  0.44
 assign ((resid  30 and name HA   ))   ((resid  30 and name HG2* ))    2.99  1.19  0.45
 assign ((resid  30 and name HN   ))   ((resid  30 and name HG1* ))    3.79  1.99  0.57
 assign ((resid  31 and name HA   ))   ((resid  31 and name HG2* ))    2.80  1.00  0.42
 assign ((resid  37 and name HA   ))   ((resid  37 and name HG2* ))    3.44  1.64  0.52
 assign ((resid  37 and name HN   ))   ((resid  37 and name HG2* ))    3.99  2.19  0.60
 assign ((resid  37 and name HN   ))   ((resid  37 and name HG1* ))    4.46  2.66  0.67
 assign ((resid  37 and name HA   ))   ((resid  37 and name HG1* ))    3.33  1.53  0.50
 assign ((resid  39 and name HN   ))   ((resid  39 and name HG2  ))    5.17  3.37  0.78
 assign ((resid  39 and name HN   ))   ((resid  39 and name HG1  ))    5.17  3.37  0.78
 assign ((resid  40 and name HA   ))   ((resid  40 and name HG2  ))    3.85  2.05  0.58
 assign ((resid  40 and name HN   ))   ((resid  40 and name HG2  ))    4.75  2.95  0.71
 assign ((resid  41 and name HA   ))   ((resid  50 and name HB2  ))    6.50  4.70  0.98
 assign ((resid  41 and name HA   ))   ((resid  41 and name HE*  ))    4.23  2.43  0.63
 assign ((resid  41 and name HB2  ))   ((resid  41 and name HE*  ))    3.58  1.78  0.54
 assign ((resid  41 and name HG2  ))   ((resid  41 and name HE*  ))    3.66  1.86  0.55
 assign ((resid  40 and name HA   ))   ((resid  40 and name HG1  ))    3.85  2.05  0.58
 assign ((resid  45 and name HA   ))   ((resid  45 and name HG2* ))    3.30  1.50  0.50
 assign ((resid  45 and name HA   ))   ((resid  45 and name HG12 ))    3.95  2.15  0.59
 assign ((resid  45 and name HA   ))   ((resid  45 and name HG11 ))    3.95  2.15  0.59
 assign ((resid  45 and name HG2* ))   ((resid  45 and name HG12 ))    3.96  2.16  0.59
 assign ((resid  45 and name HG2* ))   ((resid  45 and name HG11 ))    3.96  2.16  0.59
 assign ((resid  45 and name HA   ))   ((resid  45 and name HD1* ))    3.93  2.13  0.59
 assign ((resid  45 and name HB   ))   ((resid  45 and name HD1* ))    3.65  1.85  0.55
 assign ((resid  45 and name HG2* ))   ((resid  45 and name HD1* ))    3.04  1.24  0.46
 assign ((resid  51 and name HA   ))   ((resid  51 and name HG1* ))    3.01  1.21  0.45
 assign ((resid  51 and name HA   ))   ((resid  51 and name HG2* ))    3.34  1.54  0.50
 assign ((resid  52 and name HA   ))   ((resid  52 and name HE2  ))    6.37  4.57  0.96
 assign ((resid  52 and name HA   ))   ((resid  52 and name HE1  ))    6.37  4.57  0.96
 assign ((resid  52 and name HA   ))   ((resid  52 and name HD2  ))    5.65  3.85  0.85
 assign ((resid  52 and name HA   ))   ((resid  52 and name HD1  ))    5.65  3.85  0.85
 assign ((resid  55 and name HA   ))   ((resid  55 and name HG2* ))    3.03  1.23  0.45
 assign ((resid  55 and name HN   ))   ((resid  55 and name HG1* ))    3.98  2.18  0.60
 assign ((resid  55 and name HA   ))   ((resid  55 and name HG1* ))    3.07  1.27  0.46
 assign ((resid  57 and name HA   ))   ((resid  57 and name HG2* ))    3.51  1.71  0.53
 assign ((resid  59 and name HB2  ))   ((resid  59 and name HD1* ))    3.83  2.03  0.57
 assign ((resid  59 and name HA   ))   ((resid  59 and name HD1* ))    4.23  2.43  0.63
 assign ((resid  59 and name HB1  ))   ((resid  59 and name HD1* ))    3.77  1.97  0.57
 assign ((resid  59 and name HA   ))   ((resid  59 and name HD2* ))    3.39  1.59  0.51
 assign ((resid  59 and name HB1  ))   ((resid  59 and name HD2* ))    3.75  1.95  0.56
 assign ((resid  59 and name HB2  ))   ((resid  59 and name HD2* ))    3.78  1.98  0.57
 assign ((resid  59 and name HB1  ))   ((resid  60 and name HD2  ))    3.84  2.04  0.58
 assign ((resid  59 and name HB1  ))   ((resid  60 and name HD1  ))    3.84  2.04  0.58
 assign ((resid  63 and name HN   ))   ((resid  63 and name HD2  ))    6.02  4.22  0.90
 assign ((resid  63 and name HD2  ))   ((resid  64 and name HD*  ))    6.50  4.70  0.98
 assign ((resid  65 and name HA   ))   ((resid  65 and name HD*  ))    4.17  2.37  0.63
 assign ((resid  67 and name HA   ))   ((resid  67 and name HG2  ))    3.73  1.93  0.56
 assign ((resid  67 and name HA   ))   ((resid  67 and name HG1  ))    3.73  1.93  0.56
 assign ((resid  67 and name HA   ))   ((resid  67 and name HD1  ))    5.18  3.38  0.78
 assign ((resid  67 and name HA   ))   ((resid  67 and name HD2  ))    5.18  3.38  0.78
 assign ((resid  67 and name HB1  ))   ((resid  67 and name HD2  ))    4.15  2.35  0.62
 assign ((resid  67 and name HB2  ))   ((resid  67 and name HD2  ))    3.92  2.12  0.59
 assign ((resid  67 and name HB1  ))   ((resid  67 and name HD1  ))    4.15  2.35  0.62
 assign ((resid  67 and name HB2  ))   ((resid  67 and name HD1  ))    3.92  2.12  0.59
 assign ((resid  67 and name HB1  ))   ((resid  68 and name HD1  ))    3.43  1.63  0.51
 assign ((resid  67 and name HB1  ))   ((resid  68 and name HA   ))    4.45  2.65  0.67
 assign ((resid  68 and name HA   ))   ((resid  71 and name HB2  ))    4.50  2.70  0.68
 assign ((resid  68 and name HA   ))   ((resid  71 and name HB1  ))    4.50  2.70  0.68
 assign ((resid  70 and name HA   ))   ((resid  70 and name HG1* ))    4.02  2.22  0.60
 assign ((resid  70 and name HA   ))   ((resid  70 and name HG2* ))    3.32  1.52  0.50
 assign ((resid  72 and name HA   ))   ((resid  72 and name HG2* ))    3.05  1.25  0.46
 assign ((resid  72 and name HA   ))   ((resid  72 and name HG12 ))    3.49  1.69  0.52
 assign ((resid  72 and name HA   ))   ((resid  72 and name HG11 ))    3.49  1.69  0.52
 assign ((resid  72 and name HA   ))   ((resid  72 and name HD1* ))    3.91  2.11  0.59
 assign ((resid  72 and name HG2* ))   ((resid  72 and name HG11 ))    3.29  1.49  0.49
 assign ((resid  72 and name HG2* ))   ((resid  72 and name HG12 ))    3.29  1.49  0.49
 assign ((resid  72 and name HB   ))   ((resid  72 and name HD1* ))    3.19  1.39  0.48
 assign ((resid  72 and name HG2* ))   ((resid  72 and name HD1* ))    2.40  0.60  0.36
 assign ((resid  73 and name HA   ))   ((resid  73 and name HE3  ))    4.01  2.21  0.60
 assign ((resid  74 and name HA   ))   ((resid  74 and name HG   ))    3.39  1.59  0.51
 assign ((resid  74 and name HA   ))   ((resid  74 and name HD1* ))    4.87  3.07  0.73
 assign ((resid  74 and name HA   ))   ((resid  74 and name HD2* ))    3.29  1.49  0.49
 assign ((resid  74 and name HB2  ))   ((resid  74 and name HD2* ))    3.85  2.05  0.58
 assign ((resid  74 and name HB1  ))   ((resid  74 and name HD2* ))    3.85  2.05  0.58
 assign ((resid  74 and name HB2  ))   ((resid  74 and name HD1* ))    3.72  1.92  0.56
 assign ((resid  74 and name HB1  ))   ((resid  74 and name HD1* ))    3.72  1.92  0.56
 assign ((resid  75 and name HA   ))   ((resid  75 and name HG2  ))    3.64  1.84  0.55
 assign ((resid  75 and name HA   ))   ((resid  75 and name HG1  ))    3.64  1.84  0.55
 assign ((resid  76 and name HN   ))   ((resid  76 and name HD2  ))    6.00  4.20  0.90
 assign ((resid  76 and name HN   ))   ((resid  76 and name HD1  ))    6.00  4.20  0.90
 assign ((resid  76 and name HA   ))   ((resid  76 and name HD2  ))    5.92  4.12  0.89
 assign ((resid  76 and name HA   ))   ((resid  76 and name HD1  ))    5.92  4.12  0.89
 assign ((resid  76 and name HA   ))   ((resid  76 and name HE2  ))    6.50  4.70  0.98
 assign ((resid  76 and name HA   ))   ((resid  76 and name HE1  ))    6.50  4.70  0.98
 assign ((resid  79 and name HA   ))   ((resid  79 and name HG2* ))    3.00  1.20  0.45
 assign ((resid  79 and name HN   ))   ((resid  79 and name HG2* ))    4.16  2.36  0.62
 assign ((resid  82 and name HA   ))   ((resid  82 and name HG2* ))    3.11  1.31  0.47
 assign ((resid  82 and name HA   ))   ((resid  82 and name HG1* ))    3.26  1.46  0.49
 assign ((resid  83 and name HA   ))   ((resid  83 and name HB2  ))    2.96  1.16  0.44
 assign ((resid  84 and name HA   ))   ((resid  84 and name HD2  ))    4.76  2.96  0.71
 assign ((resid  80 and name HB1  ))   ((resid  84 and name HA   ))    4.71  2.91  0.71
 assign ((resid  84 and name HB2  ))   ((resid  84 and name HD2  ))    4.18  2.38  0.63
 assign ((resid  84 and name HB1  ))   ((resid  84 and name HD2  ))    4.18  2.38  0.63
 assign ((resid  84 and name HN   ))   ((resid  84 and name HD1  ))    5.57  3.77  0.84
 assign ((resid  84 and name HA   ))   ((resid  84 and name HD1  ))    4.76  2.96  0.71
 assign ((resid  84 and name HB2  ))   ((resid  84 and name HD1  ))    4.18  2.38  0.63
 assign ((resid  84 and name HB1  ))   ((resid  84 and name HD1  ))    4.18  2.38  0.63
 assign ((resid  86 and name HA   ))   ((resid  86 and name HG2  ))    3.89  2.09  0.58
 assign ((resid  41 and name HB1  ))   ((resid  41 and name HE*  ))    2.75  0.95  0.41
 assign ((resid  86 and name HN   ))   ((resid  86 and name HG2  ))    4.68  2.88  0.70
 assign ((resid  86 and name HN   ))   ((resid  86 and name HG1  ))    4.68  2.88  0.70
 assign ((resid  86 and name HA   ))   ((resid  86 and name HG1  ))    3.89  2.09  0.58
 assign ((resid  41 and name HG1  ))   ((resid  41 and name HE*  ))    3.66  1.86  0.55
 assign ((resid  86 and name HN   ))   ((resid  86 and name HE*  ))    5.26  3.46  0.79
 assign ((resid  86 and name HE*  ))   ((resid  90 and name HA   ))    3.56  1.76  0.53
 assign ((resid  86 and name HB2  ))   ((resid  86 and name HE*  ))    2.87  1.07  0.43
 assign ((resid  86 and name HB1  ))   ((resid  86 and name HE*  ))    2.87  1.07  0.43
 assign ((resid  86 and name HG2  ))   ((resid  86 and name HE*  ))    3.87  2.07  0.58
 assign ((resid  86 and name HG1  ))   ((resid  86 and name HE*  ))    3.87  2.07  0.58
 assign ((resid  87 and name HA   ))   ((resid  87 and name HD*  ))    3.76  1.96  0.56
 assign ((resid  91 and name HA   ))   ((resid  91 and name HB1  ))    2.78  0.98  0.42
 assign ((resid  91 and name HA   ))   ((resid  91 and name HG   ))    3.31  1.51  0.50
 assign ((resid  91 and name HB2  ))   ((resid  91 and name HG   ))    2.43  0.63  0.36
 assign ((resid  91 and name HA   ))   ((resid  91 and name HD1* ))    4.03  2.23  0.60
 assign ((resid  91 and name HB2  ))   ((resid  91 and name HD1* ))    2.74  0.94  0.41
 assign ((resid  91 and name HB1  ))   ((resid  91 and name HD1* ))    2.88  1.08  0.43
 assign ((resid  91 and name HA   ))   ((resid  91 and name HD2* ))    2.72  0.92  0.41
 assign ((resid  91 and name HB1  ))   ((resid  91 and name HD2* ))    2.85  1.05  0.43
 assign ((resid  12 and name HG2* ))   ((resid  13 and name HN   ))    5.24  3.44  0.79
 assign ((resid  12 and name HG1* ))   ((resid  13 and name HN   ))    5.24  3.44  0.79
 assign ((resid  13 and name HB*  ))   ((resid  14 and name HN   ))    4.85  3.05  0.73
 assign ((resid  16 and name HG1  ))   ((resid  17 and name HN   ))    5.38  3.58  0.81
 assign ((resid  21 and name HN   ))   ((resid  22 and name HG11 ))    5.19  3.39  0.78
 assign ((resid  20 and name HG2  ))   ((resid  21 and name HN   ))    5.12  3.32  0.77
 assign ((resid  20 and name HG1  ))   ((resid  21 and name HN   ))    5.12  3.32  0.77
 assign ((resid  22 and name HG11 ))   ((resid  23 and name HN   ))    5.91  4.11  0.89
 assign ((resid  22 and name HG12 ))   ((resid  23 and name HN   ))    6.50  4.70  0.98
 assign ((resid  22 and name HD1* ))   ((resid  23 and name HN   ))    4.39  2.59  0.66
 assign ((resid  26 and name HB1  ))   ((resid  27 and name HN   ))    3.90  2.10  0.59
 assign ((resid  27 and name HG1  ))   ((resid  28 and name HN   ))    6.03  4.23  0.90
 assign ((resid  28 and name HD1* ))   ((resid  29 and name HN   ))    5.64  3.84  0.85
 assign ((resid  29 and name HG   ))   ((resid  53 and name HN   ))    4.95  3.15  0.74
 assign ((resid  29 and name HD1* ))   ((resid  53 and name HN   ))    3.72  1.92  0.56
 assign ((resid  29 and name HD2* ))   ((resid  30 and name HN   ))    5.38  3.58  0.81
 assign ((resid  29 and name HD2* ))   ((resid  53 and name HN   ))    5.69  3.89  0.85
 assign ((resid  32 and name HA   ))   ((resid  33 and name HN   ))    3.49  1.69  0.52
 assign ((resid  32 and name HB1  ))   ((resid  33 and name HN   ))    4.65  2.85  0.70
 assign ((resid  33 and name HB2  ))   ((resid  34 and name HN   ))    4.68  2.88  0.70
 assign ((resid  33 and name HB1  ))   ((resid  34 and name HN   ))    4.68  2.88  0.70
 assign ((resid  36 and name HA   ))   ((resid  37 and name HN   ))    3.44  1.64  0.52
 assign ((resid  36 and name HB*  ))   ((resid  37 and name HN   ))    3.56  1.76  0.53
 assign ((resid  37 and name HB   ))   ((resid  38 and name HN   ))    6.50  4.70  0.98
 assign ((resid  37 and name HG2* ))   ((resid  38 and name HN   ))    5.46  3.66  0.82
 assign ((resid  37 and name HG1* ))   ((resid  38 and name HN   ))    4.29  2.49  0.64
 assign ((resid  41 and name HA   ))   ((resid  42 and name HN   ))    3.46  1.66  0.52
 assign ((resid  41 and name HB2  ))   ((resid  42 and name HN   ))    4.69  2.89  0.70
 assign ((resid  42 and name HB2  ))   ((resid  43 and name HN   ))    4.02  2.22  0.60
 assign ((resid  49 and name HG2  ))   ((resid  50 and name HN   ))    5.48  3.68  0.82
 assign ((resid  49 and name HG1  ))   ((resid  50 and name HN   ))    5.48  3.68  0.82
 assign ((resid  50 and name HB2  ))   ((resid  51 and name HN   ))    4.86  3.06  0.73
 assign ((resid  51 and name HG1* ))   ((resid  52 and name HN   ))    3.69  1.89  0.55
 assign ((resid  51 and name HG2* ))   ((resid  52 and name HN   ))    3.82  2.02  0.57
 assign ((resid  52 and name HE2  ))   ((resid  53 and name HN   ))    6.50  4.70  0.98
 assign ((resid  52 and name HE1  ))   ((resid  53 and name HN   ))    6.50  4.70  0.98
 assign ((resid  54 and name HA   ))   ((resid  55 and name HN   ))    2.72  0.92  0.41
 assign ((resid  55 and name HG2* ))   ((resid  56 and name HN   ))    4.20  2.40  0.63
 assign ((resid  62 and name HB2  ))   ((resid  63 and name HN   ))    6.50  4.70  0.98
 assign ((resid  68 and name HB2  ))   ((resid  69 and name HN   ))    4.39  2.59  0.66
 assign ((resid  72 and name HN   ))   ((resid  72 and name HG12 ))    3.62  1.82  0.54
 assign ((resid  74 and name HG   ))   ((resid  75 and name HN   ))    6.00  4.20  0.90
 assign ((resid  74 and name HD2* ))   ((resid  75 and name HN   ))    6.36  4.56  0.95
 assign ((resid  74 and name HD2* ))   ((resid  87 and name HZ   ))    6.50  4.70  0.98
 assign ((resid  74 and name HD1* ))   ((resid  87 and name HZ   ))    5.41  3.61  0.81
 assign ((resid  79 and name HB   ))   ((resid  80 and name HN   ))    3.84  2.04  0.58
 assign ((resid  83 and name HB1  ))   ((resid  84 and name HN   ))    6.50  4.70  0.98
 assign ((resid  84 and name HA   ))   ((resid  85 and name HN   ))    3.43  1.63  0.51
 assign ((resid  85 and name HB2  ))   ((resid  86 and name HN   ))    4.33  2.53  0.65
 assign ((resid  86 and name HE*  ))   ((resid  87 and name HN   ))    5.63  3.83  0.84
 assign ((resid  90 and name HA   ))   ((resid  91 and name HN   ))    2.63  0.83  0.39
 assign ((resid  12 and name HA   ))   ((resid  13 and name HB*  ))    4.43  2.63  0.66
 assign ((resid  15 and name HA   ))   ((resid  16 and name HD1  ))    3.46  1.66  0.52
 assign ((resid  16 and name HA   ))   ((resid  17 and name HB*  ))    4.12  2.32  0.62
 assign ((resid  16 and name HB2  ))   ((resid  75 and name HA   ))    4.24  2.44  0.64
 assign ((resid  16 and name HB2  ))   ((resid  76 and name HA   ))    5.09  3.29  0.76
 assign ((resid  16 and name HB1  ))   ((resid  76 and name HA   ))    5.09  3.29  0.76
 assign ((resid  17 and name HB*  ))   ((resid  75 and name HN   ))    5.55  3.75  0.83
 assign ((resid  17 and name HB*  ))   ((resid  87 and name HZ   ))    5.87  4.07  0.88
 assign ((resid  17 and name HB*  ))   ((resid  87 and name HD*  ))    3.32  1.52  0.50
 assign ((resid  17 and name HB*  ))   ((resid  22 and name HG11 ))    3.70  1.90  0.56
 assign ((resid  17 and name HB*  ))   ((resid  74 and name HB2  ))    3.95  2.15  0.59
 assign ((resid  17 and name HB*  ))   ((resid  74 and name HB1  ))    3.95  2.15  0.59
 assign ((resid  17 and name HB*  ))   ((resid  22 and name HG12 ))    3.52  1.72  0.53
 assign ((resid  17 and name HB*  ))   ((resid  74 and name HD1* ))    3.91  2.11  0.59
 assign ((resid  18 and name HA   ))   ((resid  19 and name HA   ))    4.56  2.76  0.68
 assign ((resid  19 and name HA   ))   ((resid  22 and name HG2* ))    4.41  2.61  0.66
 assign ((resid  19 and name HA   ))   ((resid  22 and name HD1* ))    3.32  1.52  0.50
 assign ((resid  19 and name HB2  ))   ((resid  22 and name HD1* ))    6.15  4.35  0.92
 assign ((resid  20 and name HA   ))   ((resid  23 and name HB1  ))    3.57  1.77  0.54
 assign ((resid  20 and name HA   ))   ((resid  23 and name HB2  ))    3.89  2.09  0.58
 assign ((resid  19 and name HG2  ))   ((resid  20 and name HA   ))    4.94  3.14  0.74
 assign ((resid  21 and name HB2  ))   ((resid  87 and name HE*  ))    5.67  3.87  0.85
 assign ((resid  21 and name HB1  ))   ((resid  87 and name HE*  ))    5.67  3.87  0.85
 assign ((resid  20 and name HB2  ))   ((resid  21 and name HA   ))    4.82  3.02  0.72
 assign ((resid  20 and name HB1  ))   ((resid  21 and name HA   ))    4.38  2.58  0.66
 assign ((resid  22 and name HA   ))   ((resid  25 and name HG   ))    3.80  2.00  0.57
 assign ((resid  22 and name HA   ))   ((resid  25 and name HD1* ))    3.39  1.59  0.51
 assign ((resid  22 and name HA   ))   ((resid  74 and name HD1* ))    4.42  2.62  0.66
 assign ((resid  19 and name HG2  ))   ((resid  22 and name HB   ))    4.50  2.70  0.68
 assign ((resid  17 and name HB*  ))   ((resid  22 and name HB   ))    5.16  3.36  0.77
 assign ((resid  22 and name HD1* ))   ((resid  74 and name HB1  ))    3.71  1.91  0.56
 assign ((resid  17 and name HB*  ))   ((resid  22 and name HD1* ))    3.36  1.56  0.50
 assign ((resid  22 and name HD1* ))   ((resid  74 and name HG   ))    4.70  2.90  0.70
 assign ((resid  22 and name HD1* ))   ((resid  75 and name HB1  ))    5.03  3.23  0.75
 assign ((resid  22 and name HD1* ))   ((resid  75 and name HG2  ))    3.67  1.87  0.55
 assign ((resid  22 and name HD1* ))   ((resid  75 and name HG1  ))    3.67  1.87  0.55
 assign ((resid  22 and name HG2* ))   ((resid  23 and name HB2  ))    5.95  4.15  0.89
 assign ((resid  22 and name HG12 ))   ((resid  25 and name HD1* ))    5.49  3.69  0.82
 assign ((resid  22 and name HD1* ))   ((resid  25 and name HD1* ))    4.53  2.73  0.68
 assign ((resid  22 and name HD1* ))   ((resid  74 and name HD1* ))    3.66  1.86  0.55
 assign ((resid  22 and name HG11 ))   ((resid  25 and name HD1* ))    6.50  4.70  0.98
 assign ((resid  22 and name HB   ))   ((resid  23 and name HA   ))    5.79  3.99  0.87
 assign ((resid  22 and name HG2* ))   ((resid  71 and name HB1  ))    3.93  2.13  0.59
 assign ((resid  22 and name HG2* ))   ((resid  71 and name HB2  ))    3.93  2.13  0.59
 assign ((resid  22 and name HD1* ))   ((resid  71 and name HB2  ))    5.18  3.38  0.78
 assign ((resid  22 and name HA   ))   ((resid  87 and name HZ   ))    5.17  3.37  0.78
 assign ((resid  22 and name HA   ))   ((resid  24 and name HN   ))    4.86  3.06  0.73
 assign ((resid  22 and name HA   ))   ((resid  87 and name HE*  ))    5.01  3.21  0.75
 assign ((resid  22 and name HB   ))   ((resid  24 and name HN   ))    5.86  4.06  0.88
 assign ((resid  22 and name HB   ))   ((resid  87 and name HE*  ))    6.50  4.70  0.98
 assign ((resid  22 and name HG2* ))   ((resid  25 and name HN   ))    4.68  2.88  0.70
 assign ((resid  22 and name HG2* ))   ((resid  87 and name HZ   ))    5.86  4.06  0.88
 assign ((resid  22 and name HG11 ))   ((resid  87 and name HE*  ))    5.54  3.74  0.83
 assign ((resid  22 and name HG2* ))   ((resid  74 and name HN   ))    4.70  2.90  0.70
 assign ((resid  19 and name HN   ))   ((resid  22 and name HD1* ))    5.34  3.54  0.80
 assign ((resid  17 and name HN   ))   ((resid  22 and name HD1* ))    4.49  2.69  0.67
 assign ((resid  22 and name HD1* ))   ((resid  87 and name HE*  ))    4.57  2.77  0.69
 assign ((resid  22 and name HG12 ))   ((resid  87 and name HE*  ))    5.85  4.05  0.88
 assign ((resid  23 and name HB2  ))   ((resid  24 and name HB*  ))    5.76  3.96  0.86
 assign ((resid  22 and name HG2* ))   ((resid  23 and name HA   ))    3.87  2.07  0.58
 assign ((resid  20 and name HB1  ))   ((resid  23 and name HB1  ))    5.85  4.05  0.88
 assign ((resid  22 and name HB   ))   ((resid  23 and name HB1  ))    6.17  4.37  0.93
 assign ((resid  23 and name HB1  ))   ((resid  24 and name HA   ))    4.76  2.96  0.71
 assign ((resid  24 and name HB*  ))   ((resid  25 and name HD2* ))    4.88  3.08  0.73
 assign ((resid  20 and name HB1  ))   ((resid  24 and name HB*  ))    4.92  3.12  0.74
 assign ((resid  23 and name HB1  ))   ((resid  24 and name HB*  ))    4.78  2.98  0.72
 assign ((resid  21 and name HA   ))   ((resid  24 and name HB*  ))    3.40  1.60  0.51
 assign ((resid  25 and name HB2  ))   ((resid  57 and name HG1  ))    4.72  2.92  0.71
 assign ((resid  25 and name HB1  ))   ((resid  57 and name HG1  ))    4.62  2.82  0.69
 assign ((resid  25 and name HG   ))   ((resid  87 and name HZ   ))    4.91  3.11  0.74
 assign ((resid  24 and name HN   ))   ((resid  25 and name HG   ))    5.43  3.63  0.81
 assign ((resid  25 and name HG   ))   ((resid  87 and name HE*  ))    5.73  3.93  0.86
 assign ((resid  25 and name HD1* ))   ((resid  87 and name HE*  ))    4.63  2.83  0.69
 assign ((resid  25 and name HD2* ))   ((resid  87 and name HZ   ))    3.58  1.78  0.54
 assign ((resid  25 and name HD2* ))   ((resid  87 and name HE*  ))    3.52  1.72  0.53
 assign ((resid  25 and name HD2* ))   ((resid  57 and name HG1  ))    4.42  2.62  0.66
 assign ((resid  26 and name HD2  ))   ((resid  57 and name HG1  ))    4.13  2.33  0.62
 assign ((resid  25 and name HD1* ))   ((resid  87 and name HZ   ))    5.02  3.22  0.75
 assign ((resid  25 and name HD1* ))   ((resid  57 and name HG1  ))    5.76  3.96  0.86
 assign ((resid  25 and name HA   ))   ((resid  26 and name HD2  ))    3.14  1.34  0.47
 assign ((resid  25 and name HA   ))   ((resid  26 and name HD1  ))    3.33  1.53  0.50
 assign ((resid  25 and name HG   ))   ((resid  26 and name HD2  ))    5.78  3.98  0.87
 assign ((resid  25 and name HG   ))   ((resid  26 and name HD1  ))    6.50  4.70  0.98
 assign ((resid  25 and name HD2* ))   ((resid  59 and name HA   ))    3.29  1.49  0.49
 assign ((resid  25 and name HD2* ))   ((resid  60 and name HD2  ))    4.17  2.37  0.63
 assign ((resid  25 and name HD2* ))   ((resid  26 and name HD2  ))    3.09  1.29  0.46
 assign ((resid  22 and name HA   ))   ((resid  25 and name HD2* ))    4.38  2.58  0.66
 assign ((resid  25 and name HD1* ))   ((resid  74 and name HD2* ))    4.78  2.98  0.72
 assign ((resid  25 and name HD1* ))   ((resid  59 and name HD2* ))    3.11  1.31  0.47
 assign ((resid  25 and name HD1* ))   ((resid  70 and name HG2* ))    5.16  3.36  0.77
 assign ((resid  25 and name HB2  ))   ((resid  26 and name HD2  ))    4.44  2.64  0.67
 assign ((resid  25 and name HD1* ))   ((resid  26 and name HD2  ))    4.77  2.97  0.72
 assign ((resid  25 and name HB1  ))   ((resid  26 and name HD2  ))    3.73  1.93  0.56
 assign ((resid  26 and name HG1  ))   ((resid  57 and name HG1  ))    4.32  2.52  0.65
 assign ((resid  26 and name HG2  ))   ((resid  57 and name HG1  ))    5.10  3.30  0.77
 assign ((resid  26 and name HB2  ))   ((resid  57 and name HG1  ))    4.63  2.83  0.69
 assign ((resid  26 and name HB1  ))   ((resid  58 and name HN   ))    5.15  3.35  0.77
 assign ((resid  26 and name HB1  ))   ((resid  57 and name HG1  ))    5.13  3.33  0.77
 assign ((resid  25 and name HD2* ))   ((resid  26 and name HG2  ))    4.04  2.24  0.61
 assign ((resid  25 and name HD2* ))   ((resid  26 and name HG1  ))    4.39  2.59  0.66
 assign ((resid  26 and name HB1  ))   ((resid  28 and name HD1* ))    4.98  3.18  0.75
 assign ((resid  26 and name HB2  ))   ((resid  28 and name HD1* ))    3.81  2.01  0.57
 assign ((resid  27 and name HB2  ))   ((resid  55 and name HG1* ))    4.16  2.36  0.62
 assign ((resid  27 and name HG1  ))   ((resid  67 and name HD2  ))    4.82  3.02  0.72
 assign ((resid  26 and name HA   ))   ((resid  27 and name HB2  ))    4.63  2.83  0.69
 assign ((resid  26 and name HA   ))   ((resid  27 and name HG1  ))    5.47  3.67  0.82
 assign ((resid  26 and name HA   ))   ((resid  27 and name HG2  ))    6.20  4.40  0.93
 assign ((resid  28 and name HG2* ))   ((resid  30 and name HN   ))    5.49  3.69  0.82
 assign ((resid  28 and name HG2* ))   ((resid  56 and name HN   ))    4.92  3.12  0.74
 assign ((resid  28 and name HD1* ))   ((resid  58 and name HN   ))    4.08  2.28  0.61
 assign ((resid  28 and name HD1* ))   ((resid  57 and name HA   ))    3.44  1.64  0.52
 assign ((resid  28 and name HB   ))   ((resid  57 and name HA   ))    4.82  3.02  0.72
 assign ((resid  27 and name HA   ))   ((resid  28 and name HB   ))    5.32  3.52  0.80
 assign ((resid  28 and name HB   ))   ((resid  29 and name HA   ))    5.90  4.10  0.89
 assign ((resid  28 and name HG2* ))   ((resid  55 and name HA   ))    5.95  4.15  0.89
 assign ((resid  28 and name HG2* ))   ((resid  57 and name HA   ))    6.34  4.54  0.95
 assign ((resid  28 and name HG2* ))   ((resid  29 and name HA   ))    4.90  3.10  0.74
 assign ((resid  28 and name HG12 ))   ((resid  57 and name HA   ))    5.51  3.71  0.83
 assign ((resid  27 and name HA   ))   ((resid  28 and name HG12 ))    5.88  4.08  0.88
 assign ((resid  28 and name HG11 ))   ((resid  57 and name HA   ))    4.16  2.36  0.62
 assign ((resid  27 and name HA   ))   ((resid  28 and name HG11 ))    5.13  3.33  0.77
 assign ((resid  28 and name HG11 ))   ((resid  57 and name HB   ))    6.13  4.33  0.92
 assign ((resid  28 and name HD1* ))   ((resid  57 and name HB   ))    4.95  3.15  0.74
 assign ((resid  26 and name HG1  ))   ((resid  28 and name HD1* ))    4.56  2.76  0.68
 assign ((resid  28 and name HA   ))   ((resid  56 and name HB*  ))    5.41  3.61  0.81
 assign ((resid  28 and name HG2* ))   ((resid  56 and name HB*  ))    3.54  1.74  0.53
 assign ((resid  28 and name HG2* ))   ((resid  29 and name HB1  ))    4.08  2.28  0.61
 assign ((resid  28 and name HG12 ))   ((resid  58 and name HB1  ))    6.12  4.32  0.92
 assign ((resid  28 and name HD1* ))   ((resid  56 and name HB*  ))    3.59  1.79  0.54
 assign ((resid  28 and name HD1* ))   ((resid  58 and name HB1  ))    3.81  2.01  0.57
 assign ((resid  29 and name HB1  ))   ((resid  31 and name HG2* ))    4.39  2.59  0.66
 assign ((resid  29 and name HG   ))   ((resid  31 and name HG2* ))    3.65  1.85  0.55
 assign ((resid  29 and name HD2* ))   ((resid  31 and name HG2* ))    3.53  1.73  0.53
 assign ((resid  29 and name HB2  ))   ((resid  55 and name HA   ))    5.25  3.45  0.79
 assign ((resid  28 and name HA   ))   ((resid  29 and name HB1  ))    4.41  2.61  0.66
 assign ((resid  29 and name HD1* ))   ((resid  54 and name HN   ))    4.41  2.61  0.66
 assign ((resid  30 and name HA   ))   ((resid  31 and name HG2* ))    4.35  2.55  0.65
 assign ((resid  30 and name HA   ))   ((resid  56 and name HB*  ))    4.72  2.92  0.71
 assign ((resid  30 and name HG2* ))   ((resid  37 and name HG2* ))    3.44  1.64  0.52
 assign ((resid  29 and name HA   ))   ((resid  30 and name HA   ))    4.57  2.77  0.69
 assign ((resid  30 and name HG2* ))   ((resid  54 and name HB1  ))    3.62  1.82  0.54
 assign ((resid  30 and name HG2* ))   ((resid  50 and name HB1  ))    3.76  1.96  0.56
 assign ((resid  29 and name HA   ))   ((resid  30 and name HG2* ))    4.23  2.43  0.63
 assign ((resid  30 and name HG1* ))   ((resid  31 and name HA   ))    3.88  2.08  0.58
 assign ((resid  30 and name HG1* ))   ((resid  51 and name HA   ))    4.38  2.58  0.66
 assign ((resid  30 and name HG2* ))   ((resid  51 and name HN   ))    4.53  2.73  0.68
 assign ((resid  30 and name HG2* ))   ((resid  54 and name HN   ))    4.36  2.56  0.65
 assign ((resid  56 and name HB*  ))   ((resid  65 and name HN   ))    4.59  2.79  0.69
 assign ((resid  30 and name HN   ))   ((resid  56 and name HB*  ))    4.59  2.79  0.69
 assign ((resid  31 and name HG2* ))   ((resid  53 and name HN   ))    5.17  3.37  0.78
 assign ((resid  56 and name HB*  ))   ((resid  66 and name HA   ))    4.17  2.37  0.63
 assign ((resid  30 and name HB   ))   ((resid  56 and name HB*  ))    4.45  2.65  0.67
 assign ((resid  30 and name HG2* ))   ((resid  56 and name HB*  ))    3.02  1.22  0.45
 assign ((resid  28 and name HB   ))   ((resid  56 and name HB*  ))    3.27  1.47  0.49
 assign ((resid  37 and name HG2* ))   ((resid  56 and name HB*  ))    3.61  1.81  0.54
 assign ((resid  32 and name HG2  ))   ((resid  52 and name HB2  ))    6.15  4.35  0.92
 assign ((resid  32 and name HG1  ))   ((resid  52 and name HB2  ))    6.15  4.35  0.92
 assign ((resid  32 and name HN   ))   ((resid  32 and name HG2  ))    5.32  3.52  0.80
 assign ((resid  32 and name HN   ))   ((resid  32 and name HG1  ))    5.32  3.52  0.80
 assign ((resid  34 and name HB2  ))   ((resid  37 and name HG2* ))    5.76  3.96  0.86
 assign ((resid  34 and name HB1  ))   ((resid  37 and name HG2* ))    5.76  3.96  0.86
 assign ((resid  35 and name HA2  ))   ((resid  36 and name HB*  ))    5.12  3.32  0.77
 assign ((resid  35 and name HA1  ))   ((resid  36 and name HB*  ))    5.12  3.32  0.77
 assign ((resid  36 and name HB*  ))   ((resid  41 and name HA   ))    4.99  3.19  0.75
 assign ((resid  36 and name HB*  ))   ((resid  41 and name HB1  ))    4.82  3.02  0.72
 assign ((resid  36 and name HB*  ))   ((resid  50 and name HB2  ))    6.26  4.46  0.94
 assign ((resid  36 and name HB*  ))   ((resid  37 and name HA   ))    5.04  3.24  0.76
 assign ((resid  28 and name HG2* ))   ((resid  37 and name HA   ))    5.95  4.15  0.89
 assign ((resid  30 and name HG1* ))   ((resid  37 and name HA   ))    6.50  4.70  0.98
 assign ((resid  30 and name HG1* ))   ((resid  37 and name HG2* ))    3.52  1.72  0.53
 assign ((resid  28 and name HD1* ))   ((resid  37 and name HG2* ))    5.22  3.42  0.78
 assign ((resid  37 and name HG2* ))   ((resid  50 and name HB2  ))    4.66  2.86  0.70
 assign ((resid  37 and name HG1* ))   ((resid  64 and name HB1  ))    3.79  1.99  0.57
 assign ((resid  30 and name HB   ))   ((resid  37 and name HG1* ))    6.50  4.70  0.98
 assign ((resid  37 and name HG1* ))   ((resid  56 and name HB*  ))    3.15  1.35  0.47
 assign ((resid  28 and name HD1* ))   ((resid  37 and name HG1* ))    3.68  1.88  0.55
 assign ((resid  28 and name HG2* ))   ((resid  37 and name HG1* ))    3.40  1.60  0.51
 assign ((resid  37 and name HB   ))   ((resid  56 and name HB*  ))    4.61  2.81  0.69
 assign ((resid  37 and name HA   ))   ((resid  64 and name HD*  ))    5.49  3.69  0.82
 assign ((resid  34 and name HD2  ))   ((resid  37 and name HG2* ))    5.97  4.17  0.90
 assign ((resid  37 and name HG2* ))   ((resid  64 and name HD*  ))    5.59  3.79  0.84
 assign ((resid  36 and name HA   ))   ((resid  37 and name HG2* ))    6.33  4.53  0.95
 assign ((resid  37 and name HG1* ))   ((resid  65 and name HN   ))    5.59  3.79  0.84
 assign ((resid  36 and name HN   ))   ((resid  37 and name HG2* ))    5.40  3.60  0.81
 assign ((resid  37 and name HG1* ))   ((resid  50 and name HD*  ))    5.19  3.39  0.78
 assign ((resid  37 and name HG1* ))   ((resid  56 and name HA   ))    5.86  4.06  0.88
 assign ((resid  37 and name HG1* ))   ((resid  64 and name HA   ))    6.17  4.37  0.93
 assign ((resid  36 and name HB*  ))   ((resid  39 and name HA   ))    4.83  3.03  0.72
 assign ((resid  41 and name HB1  ))   ((resid  50 and name HD*  ))    6.21  4.41  0.93
 assign ((resid  14 and name HD22 ))   ((resid  86 and name HE*  ))    5.69  3.89  0.85
 assign ((resid  36 and name HB*  ))   ((resid  41 and name HG2  ))    5.34  3.54  0.80
 assign ((resid  36 and name HB*  ))   ((resid  41 and name HG1  ))    5.34  3.54  0.80
 assign ((resid  36 and name HB*  ))   ((resid  41 and name HE*  ))    4.35  2.55  0.65
 assign ((resid  43 and name HB1  ))   ((resid  50 and name HE*  ))    6.50  4.70  0.98
 assign ((resid  42 and name HA   ))   ((resid  43 and name HB1  ))    5.92  4.12  0.89
 assign ((resid  43 and name HB1  ))   ((resid  49 and name HA   ))    6.50  4.70  0.98
 assign ((resid  43 and name HA   ))   ((resid  44 and name HD1  ))    3.82  2.02  0.57
 assign ((resid  44 and name HG2  ))   ((resid  82 and name HG2* ))    3.87  2.07  0.58
 assign ((resid  44 and name HG1  ))   ((resid  82 and name HG1* ))    6.50  4.70  0.98
 assign ((resid  44 and name HG2  ))   ((resid  81 and name HB2  ))    6.47  4.67  0.97
 assign ((resid  44 and name HG2  ))   ((resid  82 and name HG1* ))    6.18  4.38  0.93
 assign ((resid  44 and name HD2  ))   ((resid  65 and name HD*  ))    5.44  3.64  0.82
 assign ((resid  44 and name HD2  ))   ((resid  65 and name HE*  ))    5.82  4.02  0.87
 assign ((resid  44 and name HD2  ))   ((resid  65 and name HA   ))    5.09  3.29  0.76
 assign ((resid  44 and name HD1  ))   ((resid  65 and name HA   ))    6.45  4.65  0.97
 assign ((resid  44 and name HB2  ))   ((resid  65 and name HE*  ))    5.30  3.50  0.80
 assign ((resid  44 and name HB1  ))   ((resid  65 and name HE*  ))    5.30  3.50  0.80
 assign ((resid  44 and name HG2  ))   ((resid  65 and name HZ   ))    5.86  4.06  0.88
 assign ((resid  44 and name HG2  ))   ((resid  65 and name HE*  ))    4.31  2.51  0.65
 assign ((resid  44 and name HG1  ))   ((resid  65 and name HE*  ))    5.28  3.48  0.79
 assign ((resid  45 and name HG2* ))   ((resid  73 and name HN   ))    5.37  3.57  0.81
 assign ((resid  45 and name HG2* ))   ((resid  46 and name HA   ))    4.82  3.02  0.72
 assign ((resid  45 and name HG12 ))   ((resid  65 and name HD*  ))    6.50  4.70  0.98
 assign ((resid  45 and name HD1* ))   ((resid  65 and name HD*  ))    4.35  2.55  0.65
 assign ((resid  45 and name HD1* ))   ((resid  70 and name HN   ))    4.38  2.58  0.66
 assign ((resid  45 and name HG2* ))   ((resid  71 and name HN   ))    6.50  4.70  0.98
 assign ((resid  45 and name HG2* ))   ((resid  69 and name HB1  ))    4.15  2.35  0.62
 assign ((resid  45 and name HG2* ))   ((resid  46 and name HB1  ))    5.09  3.29  0.76
 assign ((resid  45 and name HG2* ))   ((resid  46 and name HB2  ))    5.09  3.29  0.76
 assign ((resid  45 and name HD1* ))   ((resid  70 and name HB   ))    3.94  2.14  0.59
 assign ((resid  45 and name HD1* ))   ((resid  69 and name HB1  ))    4.35  2.55  0.65
 assign ((resid  45 and name HD1* ))   ((resid  69 and name HB2  ))    4.35  2.55  0.65
 assign ((resid  45 and name HD1* ))   ((resid  73 and name HB2  ))    3.99  2.19  0.60
 assign ((resid  45 and name HD1* ))   ((resid  73 and name HB1  ))    4.30  2.50  0.65
 assign ((resid  45 and name HD1* ))   ((resid  65 and name HB1  ))    4.18  2.38  0.63
 assign ((resid  45 and name HD1* ))   ((resid  70 and name HA   ))    3.39  1.59  0.51
 assign ((resid  45 and name HD1* ))   ((resid  70 and name HG2* ))    3.57  1.77  0.54
 assign ((resid  45 and name HD1* ))   ((resid  81 and name HG2  ))    3.99  2.19  0.60
 assign ((resid  46 and name HN   ))   ((resid  47 and name HA   ))    4.83  3.03  0.72
 assign ((resid  44 and name HA   ))   ((resid  47 and name HA   ))    4.79  2.99  0.72
 assign ((resid  49 and name HG2  ))   ((resid  51 and name HG1* ))    4.64  2.84  0.70
 assign ((resid  49 and name HG1  ))   ((resid  51 and name HG1* ))    4.64  2.84  0.70
 assign ((resid  30 and name HG1* ))   ((resid  50 and name HB1  ))    3.42  1.62  0.51
 assign ((resid  37 and name HG2* ))   ((resid  50 and name HB1  ))    5.71  3.91  0.86
 assign ((resid  42 and name HA   ))   ((resid  50 and name HB1  ))    6.34  4.54  0.95
 assign ((resid  49 and name HA   ))   ((resid  50 and name HB1  ))    6.50  4.70  0.98
 assign ((resid  42 and name HA   ))   ((resid  50 and name HB2  ))    6.50  4.70  0.98
 assign ((resid  49 and name HA   ))   ((resid  50 and name HB2  ))    6.50  4.70  0.98
 assign ((resid  50 and name HA   ))   ((resid  51 and name HG1* ))    4.29  2.49  0.64
 assign ((resid  50 and name HA   ))   ((resid  51 and name HG2* ))    3.87  2.07  0.58
 assign ((resid  51 and name HG2* ))   ((resid  54 and name HN   ))    3.99  2.19  0.60
 assign ((resid  51 and name HG2* ))   ((resid  66 and name HD2  ))    6.27  4.47  0.94
 assign ((resid  50 and name HD*  ))   ((resid  51 and name HG2* ))    5.19  3.39  0.78
 assign ((resid  30 and name HB   ))   ((resid  52 and name HA   ))    4.13  2.33  0.62
 assign ((resid  29 and name HD1* ))   ((resid  52 and name HA   ))    4.87  3.07  0.73
 assign ((resid  30 and name HG1* ))   ((resid  52 and name HA   ))    3.36  1.56  0.50
 assign ((resid  32 and name HG2  ))   ((resid  52 and name HB1  ))    6.15  4.35  0.92
 assign ((resid  32 and name HG1  ))   ((resid  52 and name HB1  ))    6.15  4.35  0.92
 assign ((resid  31 and name HA   ))   ((resid  52 and name HB2  ))    5.23  3.43  0.78
 assign ((resid  31 and name HA   ))   ((resid  52 and name HB1  ))    5.23  3.43  0.78
 assign ((resid  31 and name HA   ))   ((resid  52 and name HD2  ))    5.57  3.77  0.84
 assign ((resid  31 and name HA   ))   ((resid  52 and name HD1  ))    5.57  3.77  0.84
 assign ((resid  29 and name HG   ))   ((resid  53 and name HA2  ))    6.50  4.70  0.98
 assign ((resid  52 and name HB1  ))   ((resid  53 and name HA2  ))    6.50  4.70  0.98
 assign ((resid  52 and name HB2  ))   ((resid  53 and name HA2  ))    6.50  4.70  0.98
 assign ((resid  52 and name HD2  ))   ((resid  53 and name HA2  ))    6.50  4.70  0.98
 assign ((resid  52 and name HD1  ))   ((resid  53 and name HA2  ))    6.50  4.70  0.98
 assign ((resid  30 and name HB   ))   ((resid  54 and name HB1  ))    4.66  2.86  0.70
 assign ((resid  30 and name HB   ))   ((resid  54 and name HB2  ))    4.29  2.49  0.64
 assign ((resid  30 and name HG2* ))   ((resid  54 and name HB2  ))    3.94  2.14  0.59
 assign ((resid  51 and name HG2* ))   ((resid  54 and name HB2  ))    5.68  3.88  0.85
 assign ((resid  50 and name HD*  ))   ((resid  54 and name HB1  ))    5.29  3.49  0.79
 assign ((resid  30 and name HN   ))   ((resid  54 and name HB1  ))    5.66  3.86  0.85
 assign ((resid  51 and name HN   ))   ((resid  54 and name HB1  ))    5.16  3.36  0.77
 assign ((resid  30 and name HN   ))   ((resid  54 and name HB2  ))    5.79  3.99  0.87
 assign ((resid  53 and name HN   ))   ((resid  54 and name HB2  ))    6.26  4.46  0.94
 assign ((resid  50 and name HD*  ))   ((resid  54 and name HB2  ))    5.08  3.28  0.76
 assign ((resid  30 and name HN   ))   ((resid  55 and name HG2* ))    4.62  2.82  0.69
 assign ((resid  54 and name HA   ))   ((resid  55 and name HB   ))    6.17  4.37  0.93
 assign ((resid  29 and name HA   ))   ((resid  55 and name HG2* ))    3.98  2.18  0.60
 assign ((resid  54 and name HA   ))   ((resid  55 and name HG2* ))    4.24  2.44  0.64
 assign ((resid  27 and name HA   ))   ((resid  55 and name HG1* ))    3.31  1.51  0.50
 assign ((resid  55 and name HG1* ))   ((resid  56 and name HA   ))    4.66  2.86  0.70
 assign ((resid  28 and name HN   ))   ((resid  55 and name HG2* ))    6.50  4.70  0.98
 assign ((resid  55 and name HG1* ))   ((resid  68 and name HD1  ))    3.86  2.06  0.58
 assign ((resid  27 and name HG2  ))   ((resid  55 and name HG1* ))    3.18  1.38  0.48
 assign ((resid  27 and name HB1  ))   ((resid  55 and name HG1* ))    3.20  1.40  0.48
 assign ((resid  55 and name HG1* ))   ((resid  67 and name HB2  ))    3.26  1.46  0.49
 assign ((resid  27 and name HG1  ))   ((resid  55 and name HG1* ))    4.37  2.57  0.66
 assign ((resid  27 and name HG2  ))   ((resid  55 and name HG2* ))    4.98  3.18  0.75
 assign ((resid  27 and name HB1  ))   ((resid  55 and name HG2* ))    4.90  3.10  0.74
 assign ((resid  29 and name HB2  ))   ((resid  55 and name HG2* ))    4.97  3.17  0.75
 assign ((resid  55 and name HG2* ))   ((resid  68 and name HD1  ))    4.91  3.11  0.74
 assign ((resid  55 and name HG2* ))   ((resid  68 and name HD2  ))    5.62  3.82  0.84
 assign ((resid  56 and name HA   ))   ((resid  66 and name HA   ))    3.49  1.69  0.52
 assign ((resid  29 and name HA   ))   ((resid  31 and name HG2* ))    5.57  3.77  0.84
 assign ((resid  29 and name HA   ))   ((resid  56 and name HB*  ))    5.95  4.15  0.89
 assign ((resid  56 and name HA   ))   ((resid  67 and name HB2  ))    5.66  3.86  0.85
 assign ((resid  56 and name HA   ))   ((resid  67 and name HB1  ))    5.54  3.74  0.83
 assign ((resid  55 and name HA   ))   ((resid  56 and name HA   ))    5.80  4.00  0.87
 assign ((resid  56 and name HA   ))   ((resid  57 and name HA   ))    6.23  4.43  0.93
 assign ((resid  57 and name HB   ))   ((resid  67 and name HN   ))    5.56  3.76  0.83
 assign ((resid  57 and name HG2* ))   ((resid  57 and name HG1  ))    3.75  1.95  0.56
 assign ((resid  56 and name HA   ))   ((resid  57 and name HG2* ))    5.04  3.24  0.76
 assign ((resid  57 and name HG2* ))   ((resid  64 and name HA   ))    5.36  3.56  0.80
 assign ((resid  57 and name HB   ))   ((resid  67 and name HB2  ))    3.71  1.91  0.56
 assign ((resid  57 and name HB   ))   ((resid  67 and name HB1  ))    4.81  3.01  0.72
 assign ((resid  57 and name HB   ))   ((resid  67 and name HA   ))    4.33  2.53  0.65
 assign ((resid  57 and name HG2* ))   ((resid  65 and name HB2  ))    3.73  1.93  0.56
 assign ((resid  57 and name HG2* ))   ((resid  59 and name HG   ))    4.56  2.76  0.68
 assign ((resid  57 and name HG2* ))   ((resid  70 and name HB   ))    3.78  1.98  0.57
 assign ((resid  25 and name HD1* ))   ((resid  57 and name HG2* ))    3.41  1.61  0.51
 assign ((resid  58 and name HB1  ))   ((resid  64 and name HD*  ))    6.00  4.20  0.90
 assign ((resid  28 and name HD1* ))   ((resid  58 and name HB2  ))    4.57  2.77  0.69
 assign ((resid  59 and name HB2  ))   ((resid  60 and name HD1  ))    4.87  3.07  0.73
 assign ((resid  59 and name HB2  ))   ((resid  60 and name HD2  ))    4.87  3.07  0.73
 assign ((resid  59 and name HB2  ))   ((resid  65 and name HE*  ))    6.49  4.69  0.97
 assign ((resid  59 and name HG   ))   ((resid  65 and name HE*  ))    4.96  3.16  0.74
 assign ((resid  59 and name HG   ))   ((resid  63 and name HN   ))    5.20  3.40  0.78
 assign ((resid  59 and name HD2* ))   ((resid  87 and name HZ   ))    6.03  4.23  0.90
 assign ((resid  59 and name HD2* ))   ((resid  87 and name HD*  ))    4.31  2.51  0.65
 assign ((resid  59 and name HD2* ))   ((resid  65 and name HE*  ))    5.29  3.49  0.79
 assign ((resid  59 and name HD2* ))   ((resid  63 and name HN   ))    5.76  3.96  0.86
 assign ((resid  59 and name HD1* ))   ((resid  70 and name HG2* ))    3.84  2.04  0.58
 assign ((resid  59 and name HG   ))   ((resid  70 and name HG2* ))    5.30  3.50  0.80
 assign ((resid  59 and name HD2* ))   ((resid  70 and name HG2* ))    3.47  1.67  0.52
 assign ((resid  59 and name HD2* ))   ((resid  74 and name HD2* ))    3.73  1.93  0.56
 assign ((resid  59 and name HD2* ))   ((resid  87 and name HB1  ))    4.99  3.19  0.75
 assign ((resid  59 and name HD2* ))   ((resid  60 and name HD1  ))    4.44  2.64  0.67
 assign ((resid  59 and name HD2* ))   ((resid  60 and name HD2  ))    4.44  2.64  0.67
 assign ((resid  59 and name HD2* ))   ((resid  80 and name HA   ))    5.25  3.45  0.79
 assign ((resid  25 and name HD2* ))   ((resid  60 and name HD1  ))    4.17  2.37  0.63
 assign ((resid  26 and name HG2  ))   ((resid  28 and name HD1* ))    4.70  2.90  0.70
 assign ((resid  26 and name HG2  ))   ((resid  57 and name HA   ))    4.13  2.33  0.62
 assign ((resid  60 and name HD2  ))   ((resid  87 and name HD*  ))    4.55  2.75  0.68
 assign ((resid  60 and name HG2  ))   ((resid  87 and name HD*  ))    4.76  2.96  0.71
 assign ((resid  60 and name HB2  ))   ((resid  61 and name HA   ))    4.46  2.66  0.67
 assign ((resid  63 and name HB2  ))   ((resid  65 and name HZ   ))    5.56  3.76  0.83
 assign ((resid  63 and name HB1  ))   ((resid  65 and name HZ   ))    4.80  3.00  0.72
 assign ((resid  63 and name HB1  ))   ((resid  65 and name HE*  ))    4.71  2.91  0.71
 assign ((resid  63 and name HB2  ))   ((resid  65 and name HE*  ))    4.89  3.09  0.73
 assign ((resid  63 and name HB2  ))   ((resid  82 and name HG2* ))    6.10  4.30  0.92
 assign ((resid  63 and name HB2  ))   ((resid  70 and name HG2* ))    6.50  4.70  0.98
 assign ((resid  63 and name HB2  ))   ((resid  82 and name HG1* ))    6.50  4.70  0.98
 assign ((resid  63 and name HB1  ))   ((resid  82 and name HB   ))    5.87  4.07  0.88
 assign ((resid  63 and name HB1  ))   ((resid  82 and name HG2* ))    5.00  3.20  0.75
 assign ((resid  63 and name HB1  ))   ((resid  70 and name HG2* ))    6.50  4.70  0.98
 assign ((resid  63 and name HB1  ))   ((resid  82 and name HG1* ))    6.50  4.70  0.98
 assign ((resid  64 and name HA   ))   ((resid  65 and name HB2  ))    5.93  4.13  0.89
 assign ((resid  58 and name HA   ))   ((resid  64 and name HA   ))    3.73  1.93  0.56
 assign ((resid  63 and name HA   ))   ((resid  64 and name HB1  ))    6.42  4.62  0.96
 assign ((resid  56 and name HB*  ))   ((resid  64 and name HB1  ))    5.79  3.99  0.87
 assign ((resid  63 and name HA   ))   ((resid  64 and name HB2  ))    5.29  3.49  0.79
 assign ((resid  56 and name HB*  ))   ((resid  64 and name HB2  ))    5.99  4.19  0.90
 assign ((resid  37 and name HB   ))   ((resid  64 and name HB2  ))    6.50  4.70  0.98
 assign ((resid  37 and name HG1* ))   ((resid  64 and name HB2  ))    4.35  2.55  0.65
 assign ((resid  57 and name HA   ))   ((resid  64 and name HB1  ))    6.50  4.70  0.98
 assign ((resid  59 and name HN   ))   ((resid  64 and name HB1  ))    5.93  4.13  0.89
 assign ((resid  59 and name HN   ))   ((resid  64 and name HB2  ))    5.77  3.97  0.87
 assign ((resid  57 and name HG2* ))   ((resid  65 and name HB1  ))    5.20  3.40  0.78
 assign ((resid  59 and name HD1* ))   ((resid  65 and name HB1  ))    5.71  3.91  0.86
 assign ((resid  65 and name HB1  ))   ((resid  70 and name HG2* ))    5.41  3.61  0.81
 assign ((resid  65 and name HB2  ))   ((resid  70 and name HB   ))    4.00  2.20  0.60
 assign ((resid  59 and name HD1* ))   ((resid  65 and name HB2  ))    4.89  3.09  0.73
 assign ((resid  45 and name HD1* ))   ((resid  65 and name HB2  ))    4.80  3.00  0.72
 assign ((resid  56 and name HA   ))   ((resid  66 and name HB2  ))    6.50  4.70  0.98
 assign ((resid  67 and name HN   ))   ((resid  68 and name HD2  ))    4.33  2.53  0.65
 assign ((resid  66 and name HB2  ))   ((resid  68 and name HD2  ))    4.33  2.53  0.65
 assign ((resid  66 and name HB2  ))   ((resid  68 and name HD1  ))    5.80  4.00  0.87
 assign ((resid  67 and name HB2  ))   ((resid  68 and name HD2  ))    4.89  3.09  0.73
 assign ((resid  55 and name HG1* ))   ((resid  68 and name HD2  ))    4.68  2.88  0.70
 assign ((resid  67 and name HB2  ))   ((resid  68 and name HD1  ))    4.44  2.64  0.67
 assign ((resid  69 and name HA   ))   ((resid  72 and name HN   ))    4.44  2.64  0.67
 assign ((resid  69 and name HA   ))   ((resid  72 and name HB   ))    4.53  2.73  0.68
 assign ((resid  45 and name HB   ))   ((resid  69 and name HA   ))    5.34  3.54  0.80
 assign ((resid  45 and name HG2* ))   ((resid  69 and name HA   ))    4.02  2.22  0.60
 assign ((resid  45 and name HD1* ))   ((resid  69 and name HA   ))    4.79  2.99  0.72
 assign ((resid  45 and name HG2* ))   ((resid  69 and name HB2  ))    4.15  2.35  0.62
 assign ((resid  66 and name HB2  ))   ((resid  69 and name HA   ))    5.33  3.53  0.80
 assign ((resid  70 and name HA   ))   ((resid  73 and name HD1  ))    4.50  2.70  0.68
 assign ((resid  57 and name HN   ))   ((resid  70 and name HG1* ))    5.27  3.47  0.79
 assign ((resid  70 and name HA   ))   ((resid  74 and name HN   ))    4.74  2.94  0.71
 assign ((resid  65 and name HD*  ))   ((resid  70 and name HG2* ))    4.57  2.77  0.69
 assign ((resid  70 and name HG1* ))   ((resid  72 and name HN   ))    5.37  3.57  0.81
 assign ((resid  70 and name HG1* ))   ((resid  73 and name HN   ))    5.89  4.09  0.88
 assign ((resid  65 and name HD*  ))   ((resid  70 and name HG1* ))    5.12  3.32  0.77
 assign ((resid  65 and name HD*  ))   ((resid  70 and name HB   ))    6.50  4.70  0.98
 assign ((resid  66 and name HA   ))   ((resid  70 and name HB   ))    5.86  4.06  0.88
 assign ((resid  70 and name HA   ))   ((resid  73 and name HB1  ))    3.48  1.68  0.52
 assign ((resid  57 and name HG2* ))   ((resid  70 and name HA   ))    6.00  4.20  0.90
 assign ((resid  59 and name HD1* ))   ((resid  70 and name HA   ))    6.46  4.66  0.97
 assign ((resid  65 and name HB1  ))   ((resid  70 and name HB   ))    4.09  2.29  0.61
 assign ((resid  65 and name HB1  ))   ((resid  70 and name HG1* ))    4.55  2.75  0.68
 assign ((resid  70 and name HG2* ))   ((resid  81 and name HD2  ))    4.37  2.57  0.66
 assign ((resid  70 and name HG2* ))   ((resid  73 and name HB1  ))    3.91  2.11  0.59
 assign ((resid  67 and name HA   ))   ((resid  70 and name HG2* ))    5.28  3.48  0.79
 assign ((resid  70 and name HG2* ))   ((resid  80 and name HA   ))    5.52  3.72  0.83
 assign ((resid  65 and name HB2  ))   ((resid  70 and name HG2* ))    4.65  2.85  0.70
 assign ((resid  70 and name HG2* ))   ((resid  74 and name HG   ))    3.50  1.70  0.53
 assign ((resid  70 and name HG2* ))   ((resid  74 and name HD2* ))    3.60  1.80  0.54
 assign ((resid  70 and name HG2* ))   ((resid  74 and name HD1* ))    3.01  1.21  0.45
 assign ((resid  70 and name HG1* ))   ((resid  74 and name HD1* ))    3.27  1.47  0.49
 assign ((resid  25 and name HD1* ))   ((resid  70 and name HG1* ))    3.43  1.63  0.51
 assign ((resid  70 and name HG1* ))   ((resid  74 and name HD2* ))    4.67  2.87  0.70
 assign ((resid  59 and name HG   ))   ((resid  70 and name HG1* ))    5.90  4.10  0.89
 assign ((resid  65 and name HB2  ))   ((resid  70 and name HG1* ))    3.77  1.97  0.57
 assign ((resid  22 and name HD1* ))   ((resid  71 and name HA   ))    5.15  3.35  0.77
 assign ((resid  68 and name HA   ))   ((resid  71 and name HA   ))    5.45  3.65  0.82
 assign ((resid  72 and name HA   ))   ((resid  75 and name HG1  ))    5.05  3.25  0.76
 assign ((resid  72 and name HA   ))   ((resid  75 and name HG2  ))    5.05  3.25  0.76
 assign ((resid  69 and name HA   ))   ((resid  72 and name HD1* ))    4.12  2.32  0.62
 assign ((resid  45 and name HD1* ))   ((resid  73 and name HA   ))    5.84  4.04  0.88
 assign ((resid  72 and name HG2* ))   ((resid  73 and name HB2  ))    6.50  4.70  0.98
 assign ((resid  72 and name HG2* ))   ((resid  73 and name HB1  ))    6.50  4.70  0.98
 assign ((resid  45 and name HG2* ))   ((resid  73 and name HB2  ))    6.34  4.54  0.95
 assign ((resid  72 and name HB   ))   ((resid  73 and name HA   ))    5.02  3.22  0.75
 assign ((resid  74 and name HD2* ))   ((resid  87 and name HN   ))    5.65  3.85  0.85
 assign ((resid  74 and name HD1* ))   ((resid  87 and name HD*  ))    3.79  1.99  0.57
 assign ((resid  17 and name HN   ))   ((resid  74 and name HD1* ))    6.50  4.70  0.98
 assign ((resid  70 and name HN   ))   ((resid  74 and name HD1* ))    6.50  4.70  0.98
 assign ((resid  22 and name HG12 ))   ((resid  74 and name HB1  ))    4.63  2.83  0.69
 assign ((resid  17 and name HB*  ))   ((resid  74 and name HD2* ))    3.66  1.86  0.55
 assign ((resid  74 and name HD2* ))   ((resid  87 and name HB2  ))    4.20  2.40  0.63
 assign ((resid  73 and name HB1  ))   ((resid  74 and name HD2* ))    6.26  4.46  0.94
 assign ((resid  74 and name HD2* ))   ((resid  77 and name HB1  ))    6.50  4.70  0.98
 assign ((resid  22 and name HG2* ))   ((resid  74 and name HD1* ))    3.62  1.82  0.54
 assign ((resid  22 and name HG12 ))   ((resid  74 and name HD1* ))    3.45  1.65  0.52
 assign ((resid  74 and name HD2* ))   ((resid  80 and name HA   ))    5.77  3.97  0.87
 assign ((resid  22 and name HD1* ))   ((resid  75 and name HA   ))    3.78  1.98  0.57
 assign ((resid  16 and name HB1  ))   ((resid  75 and name HA   ))    4.24  2.44  0.64
 assign ((resid  17 and name HB*  ))   ((resid  75 and name HA   ))    4.34  2.54  0.65
 assign ((resid  22 and name HD1* ))   ((resid  75 and name HB2  ))    5.03  3.23  0.75
 assign ((resid  72 and name HG2* ))   ((resid  76 and name HD2  ))    5.55  3.75  0.83
 assign ((resid  72 and name HG2* ))   ((resid  76 and name HD1  ))    5.55  3.75  0.83
 assign ((resid  76 and name HN   ))   ((resid  77 and name HA   ))    4.97  3.17  0.75
 assign ((resid  73 and name HD1  ))   ((resid  77 and name HB2  ))    6.50  4.70  0.98
 assign ((resid  73 and name HD1  ))   ((resid  77 and name HB1  ))    6.50  4.70  0.98
 assign ((resid  74 and name HD2* ))   ((resid  77 and name HB2  ))    6.50  4.70  0.98
 assign ((resid  17 and name HB*  ))   ((resid  78 and name HA1  ))    4.31  2.51  0.65
 assign ((resid  74 and name HD2* ))   ((resid  78 and name HA1  ))    3.82  2.02  0.57
 assign ((resid  17 and name HB*  ))   ((resid  78 and name HA2  ))    4.31  2.51  0.65
 assign ((resid  74 and name HD2* ))   ((resid  78 and name HA2  ))    3.82  2.02  0.57
 assign ((resid  79 and name HB   ))   ((resid  85 and name HN   ))    5.68  3.88  0.85
 assign ((resid  79 and name HG2* ))   ((resid  85 and name HN   ))    4.68  2.88  0.70
 assign ((resid  79 and name HG2* ))   ((resid  84 and name HN   ))    4.16  2.36  0.62
 assign ((resid  73 and name HE1  ))   ((resid  79 and name HG2* ))    6.22  4.42  0.93
 assign ((resid  79 and name HB   ))   ((resid  84 and name HB2  ))    5.78  3.98  0.87
 assign ((resid  79 and name HB   ))   ((resid  84 and name HB1  ))    5.78  3.98  0.87
 assign ((resid  79 and name HB   ))   ((resid  84 and name HA   ))    3.57  1.77  0.54
 assign ((resid  79 and name HG2* ))   ((resid  84 and name HA   ))    3.75  1.95  0.56
 assign ((resid  79 and name HG2* ))   ((resid  86 and name HA   ))    3.81  2.01  0.57
 assign ((resid  14 and name HB1  ))   ((resid  79 and name HG2* ))    4.64  2.84  0.70
 assign ((resid  79 and name HB   ))   ((resid  86 and name HA   ))    5.47  3.67  0.82
 assign ((resid  59 and name HD1* ))   ((resid  80 and name HA   ))    3.96  2.16  0.59
 assign ((resid  65 and name HZ   ))   ((resid  81 and name HD2  ))    4.97  3.17  0.75
 assign ((resid  73 and name HD1  ))   ((resid  81 and name HD2  ))    5.42  3.62  0.81
 assign ((resid  65 and name HZ   ))   ((resid  81 and name HD1  ))    6.20  4.40  0.93
 assign ((resid  73 and name HD1  ))   ((resid  81 and name HA   ))    6.31  4.51  0.95
 assign ((resid  73 and name HZ3  ))   ((resid  81 and name HA   ))    6.50  4.70  0.98
 assign ((resid  65 and name HZ   ))   ((resid  81 and name HB1  ))    6.50  4.70  0.98
 assign ((resid  65 and name HE*  ))   ((resid  81 and name HB1  ))    6.24  4.44  0.94
 assign ((resid  73 and name HD1  ))   ((resid  81 and name HG2  ))    6.35  4.55  0.95
 assign ((resid  59 and name HD1* ))   ((resid  81 and name HD2  ))    5.29  3.49  0.79
 assign ((resid  59 and name HD1* ))   ((resid  81 and name HD1  ))    4.92  3.12  0.74
 assign ((resid  45 and name HD1* ))   ((resid  81 and name HD1  ))    5.06  3.26  0.76
 assign ((resid  70 and name HG2* ))   ((resid  81 and name HD1  ))    5.19  3.39  0.78
 assign ((resid  45 and name HD1* ))   ((resid  81 and name HD2  ))    6.50  4.70  0.98
 assign ((resid  80 and name HA   ))   ((resid  81 and name HD2  ))    3.75  1.95  0.56
 assign ((resid  80 and name HA   ))   ((resid  81 and name HD1  ))    3.80  2.00  0.57
 assign ((resid  45 and name HD1* ))   ((resid  81 and name HB2  ))    5.01  3.21  0.75
 assign ((resid  45 and name HD1* ))   ((resid  81 and name HB1  ))    5.06  3.26  0.76
 assign ((resid  70 and name HG2* ))   ((resid  81 and name HB1  ))    6.50  4.70  0.98
 assign ((resid  70 and name HG2* ))   ((resid  81 and name HG2  ))    5.49  3.69  0.82
 assign ((resid  82 and name HG1* ))   ((resid  83 and name HA   ))    4.30  2.50  0.65
 assign ((resid  44 and name HB1  ))   ((resid  82 and name HG2* ))    4.12  2.32  0.62
 assign ((resid  44 and name HG1  ))   ((resid  82 and name HG2* ))    3.62  1.82  0.54
 assign ((resid  44 and name HB2  ))   ((resid  82 and name HG2* ))    4.12  2.32  0.62
 assign ((resid  65 and name HZ   ))   ((resid  82 and name HB   ))    6.09  4.29  0.91
 assign ((resid  65 and name HZ   ))   ((resid  82 and name HG2* ))    3.67  1.87  0.55
 assign ((resid  64 and name HN   ))   ((resid  82 and name HG2* ))    6.22  4.42  0.93
 assign ((resid  82 and name HG2* ))   ((resid  84 and name HN   ))    6.50  4.70  0.98
 assign ((resid  65 and name HE*  ))   ((resid  82 and name HG2* ))    3.61  1.81  0.54
 assign ((resid  82 and name HG1* ))   ((resid  84 and name HN   ))    6.50  4.70  0.98
 assign ((resid  65 and name HZ   ))   ((resid  82 and name HG1* ))    5.98  4.18  0.90
 assign ((resid  65 and name HE*  ))   ((resid  82 and name HG1* ))    5.97  4.17  0.90
 assign ((resid  63 and name HD2  ))   ((resid  82 and name HG2* ))    5.15  3.35  0.77
 assign ((resid  82 and name HG1* ))   ((resid  83 and name HB2  ))    4.59  2.79  0.69
 assign ((resid  82 and name HG1* ))   ((resid  83 and name HB1  ))    4.38  2.58  0.66
 assign ((resid  63 and name HE1  ))   ((resid  83 and name HB2  ))    3.76  1.96  0.56
 assign ((resid  80 and name HN   ))   ((resid  84 and name HA   ))    4.23  2.43  0.63
 assign ((resid  79 and name HA   ))   ((resid  84 and name HA   ))    4.91  3.11  0.74
 assign ((resid  80 and name HB2  ))   ((resid  84 and name HA   ))    4.71  2.91  0.71
 assign ((resid  79 and name HG2* ))   ((resid  84 and name HD2  ))    5.99  4.19  0.90
 assign ((resid  79 and name HG2* ))   ((resid  84 and name HD1  ))    5.99  4.19  0.90
 assign ((resid  79 and name HA   ))   ((resid  86 and name HA   ))    3.85  2.05  0.58
 assign ((resid  86 and name HB2  ))   ((resid  90 and name HD1  ))    4.65  2.85  0.70
 assign ((resid  86 and name HB1  ))   ((resid  90 and name HD1  ))    4.65  2.85  0.70
 assign ((resid  86 and name HG2  ))   ((resid  89 and name HA   ))    5.71  3.91  0.86
 assign ((resid  86 and name HE*  ))   ((resid  90 and name HD1  ))    3.66  1.86  0.55
 assign ((resid  14 and name HD21 ))   ((resid  86 and name HE*  ))    5.69  3.89  0.85
 assign ((resid  59 and name HD2* ))   ((resid  87 and name HB2  ))    4.99  3.19  0.75
 assign ((resid  74 and name HD2* ))   ((resid  87 and name HB1  ))    4.20  2.40  0.63
 assign ((resid  87 and name HB2  ))   ((resid  88 and name HA   ))    5.69  3.89  0.85
 assign ((resid  87 and name HB1  ))   ((resid  88 and name HA   ))    5.69  3.89  0.85
 assign ((resid  90 and name HA   ))   ((resid  91 and name HB2  ))    5.17  3.37  0.78
 assign ((resid  73 and name HA   ))   ((resid  75 and name HN   ))    4.82  3.02  0.72
 assign ((resid  30 and name HG2* ))   ((resid  50 and name HE*  ))    5.84  4.04  0.88
 assign ((resid  64 and name HA   ))   ((resid  64 and name HE*  ))    5.63  3.83  0.84
 assign ((resid  58 and name HB1  ))   ((resid  64 and name HE*  ))    4.20  2.40  0.63
 assign ((resid  12 and name HB   ))   ((resid  13 and name HB*  ))    5.50  3.70  0.83
 assign ((resid  14 and name HB2  ))   ((resid  79 and name HG2* ))    4.64  2.84  0.70
 assign ((resid  14 and name HB1  ))   ((resid  15 and name HD2  ))    4.99  3.19  0.75
 assign ((resid  14 and name HB1  ))   ((resid  15 and name HD1  ))    4.99  3.19  0.75
 assign ((resid  14 and name HB2  ))   ((resid  15 and name HD1  ))    4.99  3.19  0.75
 assign ((resid  14 and name HB2  ))   ((resid  15 and name HD2  ))    4.99  3.19  0.75
 assign ((resid  15 and name HB2  ))   ((resid  16 and name HD1  ))    3.88  2.08  0.58
 assign ((resid  15 and name HB2  ))   ((resid  16 and name HD2  ))    3.88  2.08  0.58
 assign ((resid  15 and name HB1  ))   ((resid  16 and name HD2  ))    3.88  2.08  0.58
 assign ((resid  15 and name HB1  ))   ((resid  16 and name HD1  ))    3.88  2.08  0.58
 assign ((resid  14 and name HA   ))   ((resid  15 and name HG2  ))    5.37  3.57  0.81
 assign ((resid  14 and name HA   ))   ((resid  15 and name HG1  ))    5.37  3.57  0.81
 assign ((resid  15 and name HA   ))   ((resid  16 and name HD2  ))    3.46  1.66  0.52
 assign ((resid  18 and name HB2  ))   ((resid  20 and name HN   ))    5.77  3.97  0.87
 assign ((resid  18 and name HB1  ))   ((resid  20 and name HN   ))    5.77  3.97  0.87
 assign ((resid  13 and name HB*  ))   ((resid  14 and name HA   ))    4.70  2.90  0.70
 assign ((resid  14 and name HA   ))   ((resid  15 and name HD2  ))    3.19  1.39  0.48
 assign ((resid  14 and name HA   ))   ((resid  15 and name HD1  ))    3.19  1.39  0.48
 assign ((resid  16 and name HG2  ))   ((resid  76 and name HA   ))    5.97  4.17  0.90
 assign ((resid  15 and name HA   ))   ((resid  16 and name HG1  ))    4.82  3.02  0.72
 assign ((resid  15 and name HA   ))   ((resid  16 and name HG2  ))    4.99  3.19  0.75
 assign ((resid  16 and name HG1  ))   ((resid  75 and name HA   ))    5.71  3.91  0.86
 assign ((resid  17 and name HB*  ))   ((resid  87 and name HE*  ))    3.48  1.68  0.52
 assign ((resid  19 and name HA   ))   ((resid  22 and name HG11 ))    6.23  4.43  0.93
 assign ((resid  19 and name HA   ))   ((resid  22 and name HG12 ))    6.50  4.70  0.98
 assign ((resid  17 and name HB*  ))   ((resid  22 and name HG2* ))    4.47  2.67  0.67
 assign ((resid  26 and name HG2  ))   ((resid  58 and name HB2  ))    5.68  3.88  0.85
 assign ((resid  26 and name HG1  ))   ((resid  58 and name HB2  ))    4.76  2.96  0.71
 assign ((resid  30 and name HG1* ))   ((resid  50 and name HB2  ))    3.95  2.15  0.59
 assign ((resid  30 and name HG1* ))   ((resid  52 and name HN   ))    4.37  2.57  0.66
 assign ((resid  30 and name HG1* ))   ((resid  32 and name HN   ))    4.96  3.16  0.74
 assign ((resid  30 and name HG1* ))   ((resid  66 and name HD2  ))    5.44  3.64  0.82
 assign ((resid  30 and name HG2* ))   ((resid  66 and name HD2  ))    4.90  3.10  0.74
 assign ((resid  30 and name HG1* ))   ((resid  54 and name HN   ))    4.01  2.21  0.60
 assign ((resid  30 and name HG2* ))   ((resid  56 and name HA   ))    5.52  3.72  0.83
 assign ((resid  36 and name HA   ))   ((resid  41 and name HB1  ))    4.88  3.08  0.73
 assign ((resid  42 and name HA   ))   ((resid  50 and name HE*  ))    5.75  3.95  0.86
 assign ((resid  45 and name HD1* ))   ((resid  81 and name HG1  ))    3.73  1.93  0.56
 assign ((resid  45 and name HD1* ))   ((resid  70 and name HG1* ))    5.12  3.32  0.77
 assign ((resid  45 and name HD1* ))   ((resid  82 and name HG2* ))    5.80  4.00  0.87
 assign ((resid  41 and name HB2  ))   ((resid  50 and name HB2  ))    6.21  4.41  0.93
 assign ((resid  51 and name HG2* ))   ((resid  54 and name HB1  ))    5.15  3.35  0.77
 assign ((resid  29 and name HB2  ))   ((resid  55 and name HG1* ))    5.39  3.59  0.81
 assign ((resid  50 and name HE*  ))   ((resid  56 and name HA   ))    5.58  3.78  0.84
 assign ((resid  57 and name HA   ))   ((resid  57 and name HG1  ))    3.60  1.80  0.54
 assign ((resid  57 and name HG2* ))   ((resid  59 and name HN   ))    6.11  4.31  0.92
 assign ((resid  26 and name HG1  ))   ((resid  58 and name HB1  ))    6.40  4.60  0.96
 assign ((resid  67 and name HA   ))   ((resid  70 and name HN   ))    4.66  2.86  0.70
 assign ((resid  67 and name HA   ))   ((resid  70 and name HG1* ))    3.30  1.50  0.50
 assign ((resid  57 and name HG2* ))   ((resid  67 and name HA   ))    3.33  1.53  0.50
 assign ((resid  55 and name HG1* ))   ((resid  67 and name HB1  ))    4.23  2.43  0.63
 assign ((resid  55 and name HG1* ))   ((resid  67 and name HD2  ))    4.08  2.28  0.61
 assign ((resid  55 and name HG1* ))   ((resid  67 and name HG2  ))    4.87  3.07  0.73
 assign ((resid  55 and name HG1* ))   ((resid  67 and name HD1  ))    4.08  2.28  0.61
 assign ((resid  27 and name HG2  ))   ((resid  67 and name HD1  ))    4.36  2.56  0.65
 assign ((resid  27 and name HG2  ))   ((resid  67 and name HD2  ))    4.36  2.56  0.65
 assign ((resid  57 and name HB   ))   ((resid  67 and name HG2  ))    5.19  3.39  0.78
 assign ((resid  57 and name HB   ))   ((resid  67 and name HG1  ))    5.19  3.39  0.78
 assign ((resid  57 and name HG2* ))   ((resid  70 and name HG2* ))    3.82  2.02  0.57
 assign ((resid  57 and name HG2* ))   ((resid  70 and name HG1* ))    2.62  0.82  0.39
 assign ((resid  67 and name HG2  ))   ((resid  70 and name HG1* ))    4.56  2.76  0.68
 assign ((resid  72 and name HG2* ))   ((resid  73 and name HA   ))    4.20  2.40  0.63
 assign ((resid  73 and name HA   ))   ((resid  76 and name HG2  ))    6.11  4.31  0.92
 assign ((resid  73 and name HA   ))   ((resid  76 and name HG1  ))    6.11  4.31  0.92
 assign ((resid  70 and name HG2* ))   ((resid  81 and name HG1  ))    4.62  2.82  0.69
 assign ((resid  65 and name HD*  ))   ((resid  81 and name HG1  ))    6.10  4.30  0.92
 assign ((resid  65 and name HE*  ))   ((resid  81 and name HG1  ))    6.50  4.70  0.98
 assign ((resid  65 and name HZ   ))   ((resid  81 and name HG1  ))    6.35  4.55  0.95
 assign ((resid  22 and name HG11 ))   ((resid  74 and name HD1* ))    4.04  2.24  0.61
 assign ((resid  74 and name HD2* ))   ((resid  81 and name HD1  ))    5.13  3.33  0.77
 assign ((resid  71 and name HA   ))   ((resid  74 and name HD1* ))    6.50  4.70  0.98
 assign ((resid  74 and name HD2* ))   ((resid  87 and name HE*  ))    3.81  2.01  0.57
 assign ((resid  74 and name HD1* ))   ((resid  87 and name HE*  ))    4.35  2.55  0.65
 assign ((resid  16 and name HG1  ))   ((resid  76 and name HA   ))    4.57  2.77  0.69
 assign ((resid  73 and name HA   ))   ((resid  76 and name HE2  ))    5.89  4.09  0.88
 assign ((resid  73 and name HA   ))   ((resid  76 and name HE1  ))    5.89  4.09  0.88
 assign ((resid  65 and name HE*  ))   ((resid  81 and name HD1  ))    6.44  4.64  0.97
 assign ((resid  65 and name HE*  ))   ((resid  81 and name HD2  ))    6.50  4.70  0.98
 assign ((resid  87 and name HA   ))   ((resid  88 and name HB2  ))    5.78  3.98  0.87
 assign ((resid  87 and name HA   ))   ((resid  88 and name HB1  ))    5.64  3.84  0.85
 assign ((resid  87 and name HA   ))   ((resid  88 and name HG2  ))    4.97  3.17  0.75
 assign ((resid  88 and name HA   ))   ((resid  89 and name HD1  ))    3.47  1.67  0.52
 assign ((resid  88 and name HA   ))   ((resid  89 and name HG2  ))    5.28  3.48  0.79
 assign ((resid  88 and name HA   ))   ((resid  89 and name HG1  ))    5.28  3.48  0.79
 assign ((resid  87 and name HD*  ))   ((resid  88 and name HA   ))    4.03  2.23  0.60
 assign ((resid  87 and name HD*  ))   ((resid  88 and name HG1  ))    6.50  4.70  0.98
 assign ((resid  87 and name HE*  ))   ((resid  88 and name HG1  ))    6.50  4.70  0.98
 assign ((resid  87 and name HD*  ))   ((resid  88 and name HG2  ))    6.32  4.52  0.95
 assign ((resid  87 and name HE*  ))   ((resid  88 and name HB1  ))    5.63  3.83  0.84
 assign ((resid  89 and name HA   ))   ((resid  90 and name HD2  ))    3.10  1.30  0.47
 assign ((resid  17 and name HA   ))   ((resid  88 and name HD1  ))    4.68  2.88  0.70
 assign ((resid  17 and name HB*  ))   ((resid  88 and name HD1  ))    4.18  2.38  0.63
 assign ((resid  17 and name HB*  ))   ((resid  88 and name HD2  ))    4.18  2.38  0.63
 assign ((resid  17 and name HA   ))   ((resid  88 and name HD2  ))    4.68  2.88  0.70
 assign ((resid  87 and name HD*  ))   ((resid  88 and name HD1  ))    5.05  3.25  0.76
 assign ((resid  87 and name HD*  ))   ((resid  88 and name HD2  ))    5.05  3.25  0.76
 assign ((resid  87 and name HD*  ))   ((resid  89 and name HD1  ))    4.65  2.85  0.70
 assign ((resid  87 and name HD*  ))   ((resid  89 and name HD2  ))    5.26  3.46  0.79
 assign ((resid  87 and name HA   ))   ((resid  89 and name HD2  ))    4.64  2.84  0.70
 assign ((resid  88 and name HB2  ))   ((resid  89 and name HD1  ))    4.10  2.30  0.62
 assign ((resid  88 and name HB1  ))   ((resid  89 and name HD1  ))    4.51  2.71  0.68
 assign ((resid  89 and name HB2  ))   ((resid  90 and name HD2  ))    3.93  2.13  0.59
 assign ((resid  86 and name HE*  ))   ((resid  89 and name HA   ))    4.18  2.38  0.63
 assign ((resid  87 and name HA   ))   ((resid  88 and name HA   ))    3.28  1.48  0.49
 assign ((resid  87 and name HA   ))   ((resid  89 and name HD1  ))    4.20  2.40  0.63
 assign ((resid  18 and name HB2  ))   ((resid  21 and name HN   ))    6.50  4.70  0.98
 assign ((resid  18 and name HB1  ))   ((resid  21 and name HN   ))    6.50  4.70  0.98
 assign ((resid  22 and name HG2* ))   ((resid  70 and name HG2* ))    6.43  4.63  0.96
 assign ((resid  36 and name HB*  ))   ((resid  37 and name HG2* ))    4.84  3.04  0.73
 assign ((resid  36 and name HB*  ))   ((resid  37 and name HG1* ))    5.51  3.71  0.83
 assign ((resid  36 and name HB*  ))   ((resid  38 and name HN   ))    4.54  2.74  0.68
 assign ((resid  59 and name HB2  ))   ((resid  63 and name HB2  ))    5.57  3.77  0.84
 assign ((resid  27 and name HA   ))   ((resid  57 and name HA   ))    3.97  2.17  0.60
 assign ((resid  27 and name HA   ))   ((resid  57 and name HB   ))    4.71  2.91  0.71
 assign ((resid  27 and name HA   ))   ((resid  57 and name HG2* ))    5.55  3.75  0.83
 assign ((resid  28 and name HN   ))   ((resid  57 and name HA   ))    3.76  1.96  0.56
 assign ((resid  29 and name HA   ))   ((resid  55 and name HA   ))    3.26  1.46  0.49
 assign ((resid  30 and name HN   ))   ((resid  55 and name HA   ))    3.81  2.01  0.57
 assign ((resid  31 and name HA   ))   ((resid  52 and name HA   ))    3.72  1.92  0.56
 assign ((resid  32 and name HA   ))   ((resid  51 and name HA   ))    4.02  2.22  0.60
 assign ((resid  32 and name HA   ))   ((resid  52 and name HA   ))    6.50  4.70  0.98
 assign ((resid  32 and name HA   ))   ((resid  51 and name HG1* ))    5.07  3.27  0.76
 assign ((resid  36 and name HA   ))   ((resid  41 and name HA   ))    4.01  2.21  0.60
 assign ((resid  29 and name HD1* ))   ((resid  53 and name HA2  ))    3.37  1.57  0.51
 assign ((resid  59 and name HD1* ))   ((resid  65 and name HE*  ))    4.01  2.21  0.60
 assign ((resid  59 and name HD1* ))   ((resid  87 and name HD*  ))    4.89  3.09  0.73
 assign ((resid  59 and name HD1* ))   ((resid  65 and name HZ   ))    4.94  3.14  0.74
 assign ((resid  29 and name HD1* ))   ((resid  31 and name HG2* ))    3.73  1.93  0.56
 assign ((resid  89 and name HA   ))   ((resid  90 and name HD1  ))    3.16  1.36  0.47
 assign ((resid  89 and name HB1  ))   ((resid  90 and name HD2  ))    3.93  2.13  0.59
 assign ((resid  18 and name HA   ))   ((resid  19 and name HB2  ))    4.58  2.78  0.69
 assign ((resid  18 and name HA   ))   ((resid  19 and name HB1  ))    4.94  3.14  0.74
 assign ((resid  60 and name HG2  ))   ((resid  87 and name HA   ))    5.11  3.31  0.77
 assign ((resid  60 and name HG1  ))   ((resid  87 and name HA   ))    5.11  3.31  0.77
 assign ((resid  25 and name HA   ))   ((resid  26 and name HG1  ))    4.54  2.74  0.68
 assign ((resid  28 and name HD1* ))   ((resid  64 and name HA   ))    6.50  4.70  0.98
 assign ((resid  30 and name HG1* ))   ((resid  54 and name HB2  ))    4.75  2.95  0.71
 assign ((resid  40 and name HA   ))   ((resid  41 and name HE*  ))    4.73  2.93  0.71
 assign ((resid  59 and name HD1* ))   ((resid  87 and name HE*  ))    5.56  3.76  0.83
 assign ((resid  57 and name HG2* ))   ((resid  66 and name HA   ))    4.36  2.56  0.65
 assign ((resid  72 and name HG2* ))   ((resid  76 and name HE2  ))    3.97  2.17  0.60
 assign ((resid  72 and name HG2* ))   ((resid  76 and name HE1  ))    3.97  2.17  0.60
 assign ((resid  14 and name HD22 ))   ((resid  86 and name HA   ))    4.50  2.70  0.68
 assign ((resid  90 and name HB2  ))   ((resid  91 and name HA   ))    4.80  3.00  0.72
 assign ((resid  90 and name HA   ))   ((resid  91 and name HD2* ))    4.50  2.70  0.68
 assign ((resid  22 and name HG2* ))   ((resid  71 and name HA   ))    3.65  1.85  0.55
 assign ((resid  26 and name HB1  ))   ((resid  28 and name HG11 ))    5.36  3.56  0.80
 assign ((resid  26 and name HB2  ))   ((resid  28 and name HG12 ))    4.98  3.18  0.75
 assign ((resid  26 and name HB2  ))   ((resid  28 and name HG11 ))    3.76  1.96  0.56
 assign ((resid  28 and name HB   ))   ((resid  37 and name HG1* ))    6.50  4.70  0.98
 assign ((resid  30 and name HG1* ))   ((resid  50 and name HA   ))    4.82  3.02  0.72
 assign ((resid  32 and name HB2  ))   ((resid  52 and name HB1  ))    5.69  3.89  0.85
 assign ((resid  32 and name HB1  ))   ((resid  52 and name HB1  ))    5.69  3.89  0.85
 assign ((resid  32 and name HB1  ))   ((resid  52 and name HB2  ))    5.69  3.89  0.85
 assign ((resid  32 and name HB2  ))   ((resid  52 and name HB2  ))    5.69  3.89  0.85
 assign ((resid  37 and name HG1* ))   ((resid  38 and name HA2  ))    6.50  4.70  0.98
 assign ((resid  37 and name HG1* ))   ((resid  38 and name HA1  ))    6.50  4.70  0.98
 assign ((resid  43 and name HB1  ))   ((resid  66 and name HN   ))    6.50  4.70  0.98
 assign ((resid  43 and name HN   ))   ((resid  49 and name HA   ))    3.83  2.03  0.57
 assign ((resid  25 and name HD2* ))   ((resid  59 and name HD2* ))    3.08  1.28  0.46
 assign ((resid  57 and name HG2* ))   ((resid  59 and name HD2* ))    3.46  1.66  0.52
 assign ((resid  59 and name HG   ))   ((resid  65 and name HD*  ))    4.58  2.78  0.69
 assign ((resid  59 and name HD1* ))   ((resid  65 and name HD*  ))    4.52  2.72  0.68
 assign ((resid  27 and name HG1  ))   ((resid  67 and name HD1  ))    4.82  3.02  0.72
 assign ((resid  55 and name HG1* ))   ((resid  67 and name HG1  ))    4.87  3.07  0.73
 assign ((resid  73 and name HB1  ))   ((resid  74 and name HG   ))    6.50  4.70  0.98
 assign ((resid  79 and name HG2* ))   ((resid  86 and name HN   ))    6.28  4.48  0.94
 assign ((resid  81 and name HB1  ))   ((resid  82 and name HG2* ))    4.85  3.05  0.73
 assign ((resid  81 and name HB2  ))   ((resid  82 and name HG2* ))    3.49  1.69  0.52
 assign ((resid  86 and name HG1  ))   ((resid  89 and name HA   ))    5.71  3.91  0.86
 assign ((resid  79 and name HG2* ))   ((resid  86 and name HE*  ))    5.30  3.50  0.80
 assign ((resid  21 and name HB2  ))   ((resid  88 and name HD1  ))    6.50  4.70  0.98
 assign ((resid  21 and name HB1  ))   ((resid  88 and name HD1  ))    6.50  4.70  0.98
 assign ((resid  21 and name HB2  ))   ((resid  88 and name HD2  ))    6.50  4.70  0.98
 assign ((resid  21 and name HB1  ))   ((resid  88 and name HD2  ))    6.50  4.70  0.98
 assign ((resid  22 and name HD1* ))   ((resid  71 and name HB1  ))    5.18  3.38  0.78
 assign ((resid  29 and name HD1* ))   ((resid  53 and name HA1  ))    4.61  2.81  0.69
 assign ((resid  42 and name HA   ))   ((resid  50 and name HN   ))    3.59  1.79  0.54
 assign ((resid  61 and name HA   ))   ((resid  62 and name HD2  ))    5.78  3.98  0.87
 assign ((resid  25 and name HB1  ))   ((resid  57 and name HB   ))    6.50  4.70  0.98
 assign ((resid  55 and name HB   ))   ((resid  67 and name HB2  ))    5.09  3.29  0.76
 assign ((resid  66 and name HA   ))   ((resid  68 and name HD1  ))    5.58  3.78  0.84
 assign ((resid  66 and name HA   ))   ((resid  68 and name HD2  ))    6.50  4.70  0.98
 assign ((resid  81 and name HG2  ))   ((resid  82 and name HG2* ))    4.57  2.77  0.69
 assign ((resid  23 and name HA   ))   ((resid  67 and name HE1  ))    4.71  2.91  0.71
 assign ((resid  23 and name HA   ))   ((resid  67 and name HE2  ))    4.71  2.91  0.71
 assign ((resid  24 and name HB*  ))   ((resid  25 and name HB1  ))    6.37  4.57  0.96
 assign ((resid  67 and name HG1  ))   ((resid  70 and name HG1* ))    4.56  2.76  0.68
 assign ((resid  27 and name HG2  ))   ((resid  67 and name HB1  ))    6.50  4.70  0.98
 assign ((resid  60 and name HG2  ))   ((resid  89 and name HD1  ))    4.77  2.97  0.72
 assign ((resid  60 and name HG1  ))   ((resid  89 and name HD1  ))    4.77  2.97  0.72
 assign ((resid  60 and name HG2  ))   ((resid  89 and name HD2  ))    5.49  3.69  0.82
 assign ((resid  60 and name HG1  ))   ((resid  89 and name HD2  ))    5.49  3.69  0.82
 assign ((resid  88 and name HA   ))   ((resid  89 and name HD2  ))    3.71  1.91  0.56
 assign ((resid  88 and name HB2  ))   ((resid  89 and name HD2  ))    3.51  1.71  0.53
 assign ((resid  88 and name HG2  ))   ((resid  89 and name HD1  ))    5.52  3.72  0.83
 assign ((resid  88 and name HG2  ))   ((resid  89 and name HD2  ))    4.47  2.67  0.67
 assign ((resid  50 and name HB2  ))   ((resid  66 and name HE2  ))    6.50  4.70  0.98
 assign ((resid  50 and name HB1  ))   ((resid  66 and name HE2  ))    6.50  4.70  0.98
 assign ((resid  37 and name HG1* ))   ((resid  57 and name HN   ))    5.39  3.59  0.81
 assign ((resid  34 and name HA   ))   ((resid  34 and name HD2  ))    4.55  2.75  0.68
 assign ((resid  50 and name HA   ))   ((resid  50 and name HD*  ))    2.95  1.15  0.44
 assign ((resid  62 and name HA   ))   ((resid  62 and name HD2  ))    4.79  2.99  0.72
 assign ((resid  63 and name HA   ))   ((resid  63 and name HD2  ))    3.05  1.25  0.46
 assign ((resid  63 and name HB1  ))   ((resid  63 and name HD2  ))    3.97  2.17  0.60
 assign ((resid  64 and name HA   ))   ((resid  64 and name HD*  ))    3.27  1.47  0.49
 assign ((resid  66 and name HA   ))   ((resid  66 and name HD2  ))    3.72  1.92  0.56
 assign ((resid  66 and name HB2  ))   ((resid  66 and name HD2  ))    3.96  2.16  0.59
 assign ((resid  55 and name HN   ))   ((resid  66 and name HD2  ))    4.23  2.43  0.63
 assign ((resid  73 and name HB1  ))   ((resid  73 and name HD1  ))    3.31  1.51  0.50
 assign ((resid  87 and name HD*  ))   ((resid  87 and name HZ   ))    3.95  2.15  0.59
 assign ((resid  34 and name HD2  ))   ((resid  35 and name HN   ))    5.76  3.96  0.86
 assign ((resid  50 and name HD*  ))   ((resid  66 and name HD2  ))    3.76  1.96  0.56
 assign ((resid  50 and name HN   ))   ((resid  50 and name HD*  ))    3.35  1.55  0.50
 assign ((resid  50 and name HD*  ))   ((resid  51 and name HN   ))    3.91  2.11  0.59
 assign ((resid  50 and name HE*  ))   ((resid  66 and name HA   ))    4.17  2.37  0.63
 assign ((resid  50 and name HE*  ))   ((resid  65 and name HA   ))    4.23  2.43  0.63
 assign ((resid  41 and name HA   ))   ((resid  50 and name HD*  ))    3.75  1.95  0.56
 assign ((resid  36 and name HA   ))   ((resid  50 and name HD*  ))    4.28  2.48  0.64
 assign ((resid  42 and name HA   ))   ((resid  50 and name HD*  ))    4.67  2.87  0.70
 assign ((resid  41 and name HB2  ))   ((resid  50 and name HD*  ))    6.14  4.34  0.92
 assign ((resid  43 and name HB2  ))   ((resid  50 and name HD*  ))    4.31  2.51  0.65
 assign ((resid  50 and name HA   ))   ((resid  50 and name HE*  ))    4.63  2.83  0.69
 assign ((resid  41 and name HA   ))   ((resid  50 and name HE*  ))    4.74  2.94  0.71
 assign ((resid  43 and name HA   ))   ((resid  50 and name HE*  ))    5.20  3.40  0.78
 assign ((resid  36 and name HA   ))   ((resid  50 and name HE*  ))    6.50  4.70  0.98
 assign ((resid  50 and name HE*  ))   ((resid  64 and name HB2  ))    5.87  4.07  0.88
 assign ((resid  50 and name HE*  ))   ((resid  64 and name HB1  ))    5.73  3.93  0.86
 assign ((resid  43 and name HB2  ))   ((resid  50 and name HE*  ))    3.80  2.00  0.57
 assign ((resid  37 and name HB   ))   ((resid  50 and name HE*  ))    4.27  2.47  0.64
 assign ((resid  50 and name HE*  ))   ((resid  56 and name HB*  ))    3.32  1.52  0.50
 assign ((resid  37 and name HB   ))   ((resid  50 and name HD*  ))    5.37  3.57  0.81
 assign ((resid  50 and name HD*  ))   ((resid  56 and name HB*  ))    3.66  1.86  0.55
 assign ((resid  30 and name HG1* ))   ((resid  50 and name HD*  ))    3.61  1.81  0.54
 assign ((resid  30 and name HG2* ))   ((resid  50 and name HD*  ))    3.78  1.98  0.57
 assign ((resid  37 and name HG2* ))   ((resid  50 and name HD*  ))    3.68  1.88  0.55
 assign ((resid  50 and name HD*  ))   ((resid  66 and name HE2  ))    3.89  2.09  0.58
 assign ((resid  37 and name HG1* ))   ((resid  50 and name HE*  ))    4.89  3.09  0.73
 assign ((resid  37 and name HG2* ))   ((resid  50 and name HE*  ))    4.50  2.70  0.68
 assign ((resid  62 and name HN   ))   ((resid  62 and name HD2  ))    4.77  2.97  0.72
 assign ((resid  63 and name HD2  ))   ((resid  82 and name HG1* ))    4.17  2.37  0.63
 assign ((resid  63 and name HD2  ))   ((resid  64 and name HN   ))    4.14  2.34  0.62
 assign ((resid  50 and name HA   ))   ((resid  66 and name HD2  ))    5.36  3.56  0.80
 assign ((resid  54 and name HB2  ))   ((resid  66 and name HD2  ))    4.13  2.33  0.62
 assign ((resid  54 and name HB1  ))   ((resid  66 and name HD2  ))    3.00  1.20  0.45
 assign ((resid  56 and name HA   ))   ((resid  66 and name HD2  ))    4.87  3.07  0.73
 assign ((resid  50 and name HE*  ))   ((resid  66 and name HD2  ))    4.03  2.23  0.60
 assign ((resid  51 and name HN   ))   ((resid  66 and name HD2  ))    6.03  4.23  0.90
 assign ((resid  66 and name HD2  ))   ((resid  67 and name HN   ))    5.15  3.35  0.77
 assign ((resid  73 and name HD1  ))   ((resid  74 and name HN   ))    4.66  2.86  0.70
 assign ((resid  73 and name HB2  ))   ((resid  73 and name HE3  ))    3.56  1.76  0.53
 assign ((resid  73 and name HZ2  ))   ((resid  81 and name HA   ))    3.81  2.01  0.57
 assign ((resid  73 and name HD1  ))   ((resid  81 and name HD1  ))    3.93  2.13  0.59
 assign ((resid  73 and name HD1  ))   ((resid  80 and name HA   ))    6.50  4.70  0.98
 assign ((resid  73 and name HD1  ))   ((resid  74 and name HA   ))    4.04  2.24  0.61
 assign ((resid  73 and name HD1  ))   ((resid  74 and name HG   ))    3.49  1.69  0.52
 assign ((resid  73 and name HD1  ))   ((resid  74 and name HD2* ))    3.11  1.31  0.47
 assign ((resid  45 and name HD1* ))   ((resid  73 and name HD1  ))    4.91  3.11  0.74
 assign ((resid  73 and name HD1  ))   ((resid  74 and name HD1* ))    5.42  3.62  0.81
 assign ((resid  70 and name HG2* ))   ((resid  73 and name HD1  ))    3.65  1.85  0.55
 assign ((resid  45 and name HG2* ))   ((resid  73 and name HE3  ))    4.71  2.91  0.71
 assign ((resid  45 and name HD1* ))   ((resid  73 and name HE3  ))    5.62  3.82  0.84
 assign ((resid  73 and name HZ2  ))   ((resid  79 and name HG2* ))    5.99  4.19  0.90
 assign ((resid  73 and name HZ2  ))   ((resid  81 and name HB2  ))    5.52  3.72  0.83
 assign ((resid  45 and name HG2* ))   ((resid  73 and name HZ3  ))    5.49  3.69  0.82
 assign ((resid  60 and name HD1  ))   ((resid  87 and name HD*  ))    4.55  2.75  0.68
 assign ((resid  60 and name HG1  ))   ((resid  87 and name HD*  ))    4.76  2.96  0.71
 assign ((resid  87 and name HD*  ))   ((resid  88 and name HB1  ))    5.09  3.29  0.76
 assign ((resid  74 and name HD2* ))   ((resid  87 and name HD*  ))    3.99  2.19  0.60
 assign ((resid  25 and name HD2* ))   ((resid  87 and name HD*  ))    4.46  2.66  0.67
 assign ((resid  59 and name HD2* ))   ((resid  87 and name HE*  ))    3.95  2.15  0.59
 assign ((resid  63 and name HA   ))   ((resid  64 and name HD*  ))    3.40  1.60  0.51
 assign ((resid  58 and name HA   ))   ((resid  64 and name HD*  ))    4.00  2.20  0.60
 assign ((resid  38 and name HA2  ))   ((resid  64 and name HE*  ))    4.83  3.03  0.72
 assign ((resid  38 and name HA1  ))   ((resid  64 and name HE*  ))    4.83  3.03  0.72
 assign ((resid  58 and name HB2  ))   ((resid  64 and name HD*  ))    4.19  2.39  0.63
 assign ((resid  37 and name HB   ))   ((resid  64 and name HD*  ))    4.00  2.20  0.60
 assign ((resid  56 and name HB*  ))   ((resid  64 and name HD*  ))    3.65  1.85  0.55
 assign ((resid  28 and name HD1* ))   ((resid  64 and name HD*  ))    3.24  1.44  0.49
 assign ((resid  28 and name HG2* ))   ((resid  64 and name HD*  ))    4.69  2.89  0.70
 assign ((resid  37 and name HG1* ))   ((resid  64 and name HD*  ))    2.85  1.05  0.43
 assign ((resid  58 and name HG1  ))   ((resid  64 and name HE*  ))    4.39  2.59  0.66
 assign ((resid  26 and name HG1  ))   ((resid  64 and name HE*  ))    6.50  4.70  0.98
 assign ((resid  59 and name HB2  ))   ((resid  64 and name HE*  ))    6.50  4.70  0.98
 assign ((resid  58 and name HB2  ))   ((resid  64 and name HE*  ))    3.84  2.04  0.58
 assign ((resid  58 and name HG2  ))   ((resid  64 and name HE*  ))    4.39  2.59  0.66
 assign ((resid  28 and name HD1* ))   ((resid  64 and name HE*  ))    2.83  1.03  0.42
 assign ((resid  28 and name HG2* ))   ((resid  64 and name HE*  ))    4.12  2.32  0.62
 assign ((resid  37 and name HG1* ))   ((resid  64 and name HE*  ))    3.55  1.75  0.53
 assign ((resid  30 and name HB   ))   ((resid  66 and name HD2  ))    5.87  4.07  0.88
 assign ((resid  56 and name HB*  ))   ((resid  66 and name HD2  ))    4.87  3.07  0.73
 assign ((resid  64 and name HD*  ))   ((resid  65 and name HN   ))    4.44  2.64  0.67
 assign ((resid  59 and name HN   ))   ((resid  64 and name HD*  ))    4.95  3.15  0.74
 assign ((resid  73 and name HD1  ))   ((resid  79 and name HN   ))    5.07  3.27  0.76
 assign ((resid  59 and name HB1  ))   ((resid  87 and name HD*  ))    6.50  4.70  0.98
 assign ((resid  60 and name HB2  ))   ((resid  87 and name HD*  ))    6.50  4.70  0.98
 assign ((resid  50 and name HD*  ))   ((resid  66 and name HE1  ))    4.51  2.71  0.68
 assign ((resid  51 and name HN   ))   ((resid  66 and name HE1  ))    5.91  4.11  0.89
 assign ((resid  50 and name HE*  ))   ((resid  66 and name HE1  ))    6.50  4.70  0.98
 assign ((resid  43 and name HB1  ))   ((resid  66 and name HE1  ))    3.66  1.86  0.55
 assign ((resid  43 and name HB2  ))   ((resid  66 and name HE1  ))    4.05  2.25  0.61
 assign ((resid  63 and name HB2  ))   ((resid  63 and name HE1  ))    4.95  3.15  0.74
 assign ((resid  63 and name HE1  ))   ((resid  83 and name HB1  ))    2.61  0.81  0.39
 assign ((resid  63 and name HE1  ))   ((resid  82 and name HB   ))    6.50  4.70  0.98
 assign ((resid  63 and name HE1  ))   ((resid  82 and name HG2* ))    5.47  3.67  0.82
 assign ((resid  63 and name HE1  ))   ((resid  82 and name HG1* ))    3.90  2.10  0.59
 assign ((resid  37 and name HA   ))   ((resid  64 and name HE*  ))    5.64  3.84  0.85
 assign ((resid  73 and name HD1  ))   ((resid  81 and name HG1  ))    4.71  2.91  0.71
 assign ((resid  45 and name HG11 ))   ((resid  65 and name HD*  ))    6.50  4.70  0.98
 assign ((resid  58 and name HA   ))   ((resid  64 and name HE*  ))    5.21  3.41  0.78
 assign ((resid  11 and name HG*  ))   ((resid  11 and name HE*  ))    3.61  1.81  0.54
 assign ((resid  12 and name HN   ))   ((resid  12 and name HG*  ))    3.52  1.72  0.53
 assign ((resid  12 and name HA   ))   ((resid  12 and name HG*  ))    2.87  1.07  0.43
 assign ((resid  12 and name HG*  ))   ((resid  13 and name HN   ))    3.95  2.15  0.59
 assign ((resid  12 and name HG*  ))   ((resid  13 and name HA   ))    4.24  2.44  0.64
 assign ((resid  12 and name HG*  ))   ((resid  13 and name HB*  ))    3.97  2.17  0.60
 assign ((resid  14 and name HA   ))   ((resid  14 and name HD2* ))    4.60  2.80  0.69
 assign ((resid  14 and name HA   ))   ((resid  15 and name HG*  ))    4.61  2.81  0.69
 assign ((resid  14 and name HB*  ))   ((resid  14 and name HD2* ))    3.07  1.27  0.46
 assign ((resid  14 and name HB*  ))   ((resid  15 and name HG*  ))    4.93  3.13  0.74
 assign ((resid  14 and name HB*  ))   ((resid  15 and name HD*  ))    3.41  1.61  0.51
 assign ((resid  14 and name HB*  ))   ((resid  79 and name HG2* ))    3.88  2.08  0.58
 assign ((resid  14 and name HB*  ))   ((resid  86 and name HB*  ))    6.04  4.24  0.91
 assign ((resid  14 and name HD2* ))   ((resid  15 and name HD*  ))    5.79  3.99  0.87
 assign ((resid  14 and name HD2* ))   ((resid  86 and name HA   ))    3.93  2.13  0.59
 assign ((resid  14 and name HD2* ))   ((resid  86 and name HB*  ))    4.08  2.28  0.61
 assign ((resid  14 and name HD2* ))   ((resid  86 and name HG*  ))    5.48  3.68  0.82
 assign ((resid  14 and name HD2* ))   ((resid  86 and name HE*  ))    4.86  3.06  0.73
 assign ((resid  14 and name HD2* ))   ((resid  87 and name HN   ))    5.19  3.39  0.78
 assign ((resid  14 and name HD2* ))   ((resid  90 and name HD1  ))    6.27  4.47  0.94
 assign ((resid  15 and name HB*  ))   ((resid  16 and name HD*  ))    2.96  1.16  0.44
 assign ((resid  15 and name HD*  ))   ((resid  86 and name HG*  ))    5.42  3.62  0.81
 assign ((resid  15 and name HD*  ))   ((resid  86 and name HE*  ))    6.06  4.26  0.91
 assign ((resid  16 and name HA   ))   ((resid  78 and name HA*  ))    3.66  1.86  0.55
 assign ((resid  16 and name HB*  ))   ((resid  17 and name HN   ))    3.46  1.66  0.52
 assign ((resid  16 and name HB*  ))   ((resid  17 and name HB*  ))    5.96  4.16  0.89
 assign ((resid  16 and name HB*  ))   ((resid  22 and name HD1* ))    4.99  3.19  0.75
 assign ((resid  16 and name HB*  ))   ((resid  75 and name HA   ))    3.41  1.61  0.51
 assign ((resid  16 and name HB*  ))   ((resid  76 and name HA   ))    4.31  2.51  0.65
 assign ((resid  16 and name HB*  ))   ((resid  77 and name HN   ))    6.27  4.47  0.94
 assign ((resid  17 and name HN   ))   ((resid  74 and name HB*  ))    5.54  3.74  0.83
 assign ((resid  17 and name HN   ))   ((resid  78 and name HA*  ))    4.17  2.37  0.63
 assign ((resid  17 and name HA   ))   ((resid  18 and name HB*  ))    5.27  3.47  0.79
 assign ((resid  17 and name HA   ))   ((resid  88 and name HD*  ))    4.01  2.21  0.60
 assign ((resid  17 and name HB*  ))   ((resid  74 and name HB*  ))    3.43  1.63  0.51
 assign ((resid  17 and name HB*  ))   ((resid  78 and name HA*  ))    3.57  1.77  0.54
 assign ((resid  17 and name HB*  ))   ((resid  87 and name HB*  ))    5.40  3.60  0.81
 assign ((resid  17 and name HB*  ))   ((resid  88 and name HD*  ))    3.51  1.71  0.53
 assign ((resid  18 and name HN   ))   ((resid  18 and name HB*  ))    3.34  1.54  0.50
 assign ((resid  18 and name HN   ))   ((resid  21 and name HB*  ))    4.52  2.72  0.68
 assign ((resid  18 and name HB*  ))   ((resid  19 and name HN   ))    4.14  2.34  0.62
 assign ((resid  18 and name HB*  ))   ((resid  20 and name HN   ))    5.01  3.21  0.75
 assign ((resid  19 and name HN   ))   ((resid  19 and name HD*  ))    4.67  2.87  0.70
 assign ((resid  19 and name HA   ))   ((resid  19 and name HD*  ))    4.20  2.40  0.63
 assign ((resid  19 and name HB2  ))   ((resid  19 and name HD*  ))    3.36  1.56  0.50
 assign ((resid  19 and name HB2  ))   ((resid  19 and name HE*  ))    4.56  2.76  0.68
 assign ((resid  19 and name HB1  ))   ((resid  19 and name HD*  ))    2.37  0.57  0.36
 assign ((resid  19 and name HB1  ))   ((resid  19 and name HE*  ))    3.21  1.41  0.48
 assign ((resid  19 and name HG2  ))   ((resid  19 and name HE*  ))    3.72  1.92  0.56
 assign ((resid  19 and name HG1  ))   ((resid  19 and name HD*  ))    2.57  0.77  0.39
 assign ((resid  19 and name HG1  ))   ((resid  19 and name HE*  ))    3.47  1.67  0.52
 assign ((resid  19 and name HD*  ))   ((resid  19 and name HE*  ))    2.34  0.54  0.35
 assign ((resid  19 and name HD*  ))   ((resid  20 and name HN   ))    4.16  2.36  0.62
 assign ((resid  19 and name HD*  ))   ((resid  20 and name HA   ))    5.13  3.33  0.77
 assign ((resid  19 and name HD*  ))   ((resid  23 and name HN   ))    6.27  4.47  0.94
 assign ((resid  20 and name HN   ))   ((resid  20 and name HG*  ))    3.26  1.46  0.49
 assign ((resid  20 and name HN   ))   ((resid  21 and name HB*  ))    5.26  3.46  0.79
 assign ((resid  20 and name HA   ))   ((resid  20 and name HG*  ))    3.09  1.29  0.46
 assign ((resid  21 and name HN   ))   ((resid  21 and name HB*  ))    3.35  1.55  0.50
 assign ((resid  21 and name HB*  ))   ((resid  22 and name HN   ))    4.10  2.30  0.62
 assign ((resid  21 and name HB*  ))   ((resid  24 and name HB*  ))    4.92  3.12  0.74
 assign ((resid  21 and name HB*  ))   ((resid  87 and name HE*  ))    4.84  3.04  0.73
 assign ((resid  21 and name HB*  ))   ((resid  87 and name HZ   ))    5.15  3.35  0.77
 assign ((resid  21 and name HB*  ))   ((resid  88 and name HB1  ))    5.41  3.61  0.81
 assign ((resid  21 and name HB*  ))   ((resid  88 and name HG1  ))    4.75  2.95  0.71
 assign ((resid  21 and name HB*  ))   ((resid  88 and name HD*  ))    4.97  3.17  0.75
 assign ((resid  22 and name HB   ))   ((resid  71 and name HB*  ))    5.69  3.89  0.85
 assign ((resid  22 and name HG2* ))   ((resid  67 and name HG*  ))    4.36  2.56  0.65
 assign ((resid  22 and name HG2* ))   ((resid  67 and name HE*  ))    4.13  2.33  0.62
 assign ((resid  22 and name HG2* ))   ((resid  71 and name HB*  ))    3.20  1.40  0.48
 assign ((resid  22 and name HG2* ))   ((resid  74 and name HB*  ))    4.75  2.95  0.71
 assign ((resid  22 and name HG2* ))   ((resid  75 and name HG*  ))    5.04  3.24  0.76
 assign ((resid  22 and name HG2* ))   ((resid  75 and name HE*  ))    4.65  2.85  0.70
 assign ((resid  22 and name HG12 ))   ((resid  74 and name HB*  ))    3.83  2.03  0.57
 assign ((resid  22 and name HD1* ))   ((resid  71 and name HB*  ))    4.46  2.66  0.67
 assign ((resid  22 and name HD1* ))   ((resid  74 and name HB*  ))    3.09  1.29  0.46
 assign ((resid  22 and name HD1* ))   ((resid  75 and name HB*  ))    4.43  2.63  0.66
 assign ((resid  22 and name HD1* ))   ((resid  75 and name HG*  ))    3.18  1.38  0.48
 assign ((resid  22 and name HD1* ))   ((resid  75 and name HE*  ))    3.90  2.10  0.59
 assign ((resid  23 and name HA   ))   ((resid  67 and name HE*  ))    4.06  2.26  0.61
 assign ((resid  25 and name HN   ))   ((resid  67 and name HE*  ))    4.81  3.01  0.72
 assign ((resid  25 and name HB2  ))   ((resid  67 and name HG*  ))    4.95  3.15  0.74
 assign ((resid  25 and name HB1  ))   ((resid  67 and name HG*  ))    5.14  3.34  0.77
 assign ((resid  25 and name HB1  ))   ((resid  67 and name HD*  ))    6.27  4.47  0.94
 assign ((resid  25 and name HB1  ))   ((resid  67 and name HE*  ))    4.90  3.10  0.74
 assign ((resid  25 and name HD1* ))   ((resid  67 and name HG*  ))    4.74  2.94  0.71
 assign ((resid  25 and name HD1* ))   ((resid  67 and name HE*  ))    4.43  2.63  0.66
 assign ((resid  25 and name HD2* ))   ((resid  60 and name HD*  ))    3.50  1.70  0.53
 assign ((resid  25 and name HD2* ))   ((resid  67 and name HE*  ))    6.27  4.47  0.94
 assign ((resid  26 and name HG1  ))   ((resid  58 and name HG*  ))    4.77  2.97  0.72
 assign ((resid  27 and name HB2  ))   ((resid  67 and name HE*  ))    6.27  4.47  0.94
 assign ((resid  27 and name HG2  ))   ((resid  67 and name HD*  ))    3.61  1.81  0.54
 assign ((resid  27 and name HG2  ))   ((resid  67 and name HE*  ))    6.27  4.47  0.94
 assign ((resid  27 and name HG1  ))   ((resid  67 and name HD*  ))    3.98  2.18  0.60
 assign ((resid  27 and name HG1  ))   ((resid  67 and name HE*  ))    6.04  4.24  0.91
 assign ((resid  30 and name HG1* ))   ((resid  52 and name HB*  ))    5.09  3.29  0.76
 assign ((resid  31 and name HA   ))   ((resid  52 and name HB*  ))    4.59  2.79  0.69
 assign ((resid  31 and name HA   ))   ((resid  52 and name HG*  ))    3.58  1.78  0.54
 assign ((resid  31 and name HA   ))   ((resid  52 and name HD*  ))    4.70  2.90  0.70
 assign ((resid  32 and name HN   ))   ((resid  32 and name HG*  ))    4.54  2.74  0.68
 assign ((resid  32 and name HA   ))   ((resid  32 and name HG*  ))    3.68  1.88  0.55
 assign ((resid  32 and name HA   ))   ((resid  52 and name HB*  ))    4.86  3.06  0.73
 assign ((resid  32 and name HB*  ))   ((resid  33 and name HN   ))    3.96  2.16  0.59
 assign ((resid  32 and name HB*  ))   ((resid  52 and name HB*  ))    4.22  2.42  0.63
 assign ((resid  32 and name HG*  ))   ((resid  33 and name HN   ))    4.77  2.97  0.72
 assign ((resid  32 and name HG*  ))   ((resid  52 and name HN   ))    4.99  3.19  0.75
 assign ((resid  32 and name HG*  ))   ((resid  52 and name HB*  ))    4.42  2.62  0.66
 assign ((resid  32 and name HG*  ))   ((resid  52 and name HG*  ))    6.04  4.24  0.91
 assign ((resid  32 and name HG*  ))   ((resid  52 and name HD*  ))    4.32  2.52  0.65
 assign ((resid  32 and name HG*  ))   ((resid  52 and name HE*  ))    4.42  2.62  0.66
 assign ((resid  33 and name HN   ))   ((resid  33 and name HB*  ))    3.44  1.64  0.52
 assign ((resid  33 and name HB*  ))   ((resid  34 and name HN   ))    3.98  2.18  0.60
 assign ((resid  34 and name HB*  ))   ((resid  37 and name HG2* ))    5.05  3.25  0.76
 assign ((resid  35 and name HA*  ))   ((resid  36 and name HB*  ))    4.45  2.65  0.67
 assign ((resid  36 and name HB*  ))   ((resid  41 and name HG*  ))    4.65  2.85  0.70
 assign ((resid  37 and name HA   ))   ((resid  38 and name HA*  ))    4.85  3.05  0.73
 assign ((resid  37 and name HG1* ))   ((resid  58 and name HG*  ))    6.27  4.47  0.94
 assign ((resid  38 and name HA*  ))   ((resid  39 and name HB*  ))    5.59  3.79  0.84
 assign ((resid  38 and name HA*  ))   ((resid  40 and name HN   ))    6.27  4.47  0.94
 assign ((resid  38 and name HA*  ))   ((resid  64 and name HD*  ))    6.27  4.47  0.94
 assign ((resid  38 and name HA*  ))   ((resid  64 and name HE*  ))    4.18  2.38  0.63
 assign ((resid  39 and name HN   ))   ((resid  39 and name HB*  ))    3.43  1.63  0.51
 assign ((resid  39 and name HN   ))   ((resid  39 and name HG*  ))    4.40  2.60  0.66
 assign ((resid  39 and name HA   ))   ((resid  39 and name HE*  ))    5.54  3.74  0.83
 assign ((resid  39 and name HB*  ))   ((resid  39 and name HG*  ))    2.23  0.43  0.33
 assign ((resid  39 and name HB*  ))   ((resid  39 and name HE*  ))    3.12  1.32  0.47
 assign ((resid  39 and name HG*  ))   ((resid  39 and name HE*  ))    2.91  1.11  0.44
 assign ((resid  39 and name HG*  ))   ((resid  40 and name HN   ))    3.41  1.61  0.51
 assign ((resid  39 and name HE*  ))   ((resid  63 and name HD2  ))    4.25  2.45  0.64
 assign ((resid  40 and name HN   ))   ((resid  40 and name HB*  ))    3.34  1.54  0.50
 assign ((resid  40 and name HN   ))   ((resid  40 and name HG*  ))    3.89  2.09  0.58
 assign ((resid  40 and name HA   ))   ((resid  40 and name HG*  ))    3.21  1.41  0.48
 assign ((resid  40 and name HB*  ))   ((resid  40 and name HG*  ))    2.31  0.51  0.35
 assign ((resid  40 and name HB*  ))   ((resid  41 and name HN   ))    3.26  1.46  0.49
 assign ((resid  40 and name HB*  ))   ((resid  41 and name HG*  ))    5.83  4.03  0.87
 assign ((resid  40 and name HB*  ))   ((resid  42 and name HN   ))    3.41  1.61  0.51
 assign ((resid  40 and name HB*  ))   ((resid  50 and name HD*  ))    5.62  3.82  0.84
 assign ((resid  40 and name HB*  ))   ((resid  50 and name HE*  ))    4.18  2.38  0.63
 assign ((resid  40 and name HG*  ))   ((resid  41 and name HN   ))    3.95  2.15  0.59
 assign ((resid  40 and name HG*  ))   ((resid  42 and name HN   ))    6.27  4.47  0.94
 assign ((resid  40 and name HG*  ))   ((resid  50 and name HE*  ))    6.27  4.47  0.94
 assign ((resid  41 and name HN   ))   ((resid  42 and name HB*  ))    5.36  3.56  0.80
 assign ((resid  41 and name HA   ))   ((resid  41 and name HG*  ))    3.64  1.84  0.55
 assign ((resid  41 and name HG*  ))   ((resid  42 and name HN   ))    5.16  3.36  0.77
 assign ((resid  41 and name HG*  ))   ((resid  42 and name HA   ))    4.97  3.17  0.75
 assign ((resid  41 and name HG*  ))   ((resid  42 and name HB*  ))    5.10  3.30  0.77
 assign ((resid  42 and name HN   ))   ((resid  42 and name HB*  ))    3.39  1.59  0.51
 assign ((resid  42 and name HB*  ))   ((resid  43 and name HN   ))    3.34  1.54  0.50
 assign ((resid  42 and name HB*  ))   ((resid  47 and name HN   ))    6.15  4.35  0.92
 assign ((resid  42 and name HB*  ))   ((resid  47 and name HA   ))    5.10  3.30  0.77
 assign ((resid  42 and name HB*  ))   ((resid  48 and name HN   ))    4.64  2.84  0.70
 assign ((resid  42 and name HB*  ))   ((resid  49 and name HN   ))    5.16  3.36  0.77
 assign ((resid  42 and name HB*  ))   ((resid  49 and name HA   ))    3.78  1.98  0.57
 assign ((resid  42 and name HB*  ))   ((resid  50 and name HN   ))    5.29  3.49  0.79
 assign ((resid  43 and name HB2  ))   ((resid  48 and name HB*  ))    4.85  3.05  0.73
 assign ((resid  43 and name HB1  ))   ((resid  48 and name HB*  ))    5.31  3.51  0.80
 assign ((resid  44 and name HB*  ))   ((resid  65 and name HE*  ))    4.50  2.70  0.68
 assign ((resid  44 and name HB*  ))   ((resid  82 and name HG1* ))    5.90  4.10  0.89
 assign ((resid  44 and name HB*  ))   ((resid  82 and name HG2* ))    3.60  1.80  0.54
 assign ((resid  44 and name HG2  ))   ((resid  45 and name HG1* ))    3.93  2.13  0.59
 assign ((resid  44 and name HD2  ))   ((resid  45 and name HG1* ))    5.58  3.78  0.84
 assign ((resid  44 and name HD1  ))   ((resid  45 and name HG1* ))    6.27  4.47  0.94
 assign ((resid  45 and name HN   ))   ((resid  45 and name HG1* ))    3.52  1.72  0.53
 assign ((resid  45 and name HN   ))   ((resid  69 and name HB*  ))    5.51  3.71  0.83
 assign ((resid  45 and name HA   ))   ((resid  45 and name HG1* ))    3.41  1.61  0.51
 assign ((resid  45 and name HB   ))   ((resid  46 and name HB*  ))    4.80  3.00  0.72
 assign ((resid  45 and name HB   ))   ((resid  69 and name HB*  ))    3.95  2.15  0.59
 assign ((resid  45 and name HG2* ))   ((resid  45 and name HG1* ))    3.34  1.54  0.50
 assign ((resid  45 and name HG2* ))   ((resid  46 and name HB*  ))    4.24  2.44  0.64
 assign ((resid  45 and name HG2* ))   ((resid  69 and name HB*  ))    3.53  1.73  0.53
 assign ((resid  45 and name HG1* ))   ((resid  46 and name HN   ))    5.30  3.50  0.80
 assign ((resid  45 and name HG1* ))   ((resid  65 and name HE*  ))    5.33  3.53  0.80
 assign ((resid  45 and name HG1* ))   ((resid  81 and name HG1  ))    4.48  2.68  0.67
 assign ((resid  45 and name HD1* ))   ((resid  46 and name HB*  ))    6.27  4.47  0.94
 assign ((resid  45 and name HD1* ))   ((resid  69 and name HB*  ))    3.55  1.75  0.53
 assign ((resid  46 and name HN   ))   ((resid  69 and name HB*  ))    4.88  3.08  0.73
 assign ((resid  46 and name HB*  ))   ((resid  48 and name HN   ))    5.99  4.19  0.90
 assign ((resid  46 and name HB*  ))   ((resid  48 and name HB*  ))    5.41  3.61  0.81
 assign ((resid  47 and name HB*  ))   ((resid  48 and name HN   ))    4.32  2.52  0.65
 assign ((resid  48 and name HN   ))   ((resid  48 and name HB*  ))    2.94  1.14  0.44
 assign ((resid  48 and name HA   ))   ((resid  49 and name HG*  ))    4.45  2.65  0.67
 assign ((resid  48 and name HB*  ))   ((resid  49 and name HN   ))    4.07  2.27  0.61
 assign ((resid  48 and name HB*  ))   ((resid  49 and name HG*  ))    5.40  3.60  0.81
 assign ((resid  48 and name HB*  ))   ((resid  66 and name HE1  ))    3.61  1.81  0.54
 assign ((resid  49 and name HN   ))   ((resid  49 and name HB*  ))    2.96  1.16  0.44
 assign ((resid  49 and name HN   ))   ((resid  49 and name HG*  ))    3.14  1.34  0.47
 assign ((resid  49 and name HA   ))   ((resid  49 and name HG*  ))    3.73  1.93  0.56
 assign ((resid  49 and name HB*  ))   ((resid  50 and name HN   ))    3.35  1.55  0.50
 assign ((resid  49 and name HB*  ))   ((resid  51 and name HG1* ))    4.84  3.04  0.73
 assign ((resid  49 and name HG*  ))   ((resid  50 and name HN   ))    4.76  2.96  0.71
 assign ((resid  49 and name HG*  ))   ((resid  51 and name HG1* ))    4.06  2.26  0.61
 assign ((resid  49 and name HG*  ))   ((resid  51 and name HG2* ))    5.46  3.66  0.82
 assign ((resid  52 and name HN   ))   ((resid  52 and name HG*  ))    4.51  2.71  0.68
 assign ((resid  52 and name HN   ))   ((resid  52 and name HE*  ))    4.78  2.98  0.72
 assign ((resid  52 and name HA   ))   ((resid  52 and name HG*  ))    3.34  1.54  0.50
 assign ((resid  52 and name HA   ))   ((resid  52 and name HD*  ))    4.84  3.04  0.73
 assign ((resid  52 and name HA   ))   ((resid  52 and name HE*  ))    5.52  3.72  0.83
 assign ((resid  52 and name HB*  ))   ((resid  52 and name HD*  ))    3.26  1.46  0.49
 assign ((resid  52 and name HB*  ))   ((resid  52 and name HE*  ))    4.08  2.28  0.61
 assign ((resid  52 and name HB*  ))   ((resid  53 and name HN   ))    3.82  2.02  0.57
 assign ((resid  52 and name HG*  ))   ((resid  52 and name HE*  ))    2.81  1.01  0.42
 assign ((resid  52 and name HG*  ))   ((resid  53 and name HN   ))    3.60  1.80  0.54
 assign ((resid  52 and name HG*  ))   ((resid  53 and name HA2  ))    4.47  2.67  0.67
 assign ((resid  52 and name HD*  ))   ((resid  53 and name HN   ))    4.77  2.97  0.72
 assign ((resid  52 and name HE*  ))   ((resid  53 and name HN   ))    5.71  3.91  0.86
 assign ((resid  55 and name HG1* ))   ((resid  67 and name HG*  ))    4.20  2.40  0.63
 assign ((resid  55 and name HG1* ))   ((resid  67 and name HD*  ))    3.44  1.64  0.52
 assign ((resid  55 and name HG1* ))   ((resid  67 and name HE*  ))    5.63  3.83  0.84
 assign ((resid  55 and name HG1* ))   ((resid  68 and name HB*  ))    6.27  4.47  0.94
 assign ((resid  55 and name HG1* ))   ((resid  68 and name HG*  ))    6.28  4.48  0.94
 assign ((resid  55 and name HG2* ))   ((resid  67 and name HD*  ))    4.72  2.92  0.71
 assign ((resid  55 and name HG2* ))   ((resid  68 and name HG*  ))    6.28  4.48  0.94
 assign ((resid  57 and name HB   ))   ((resid  67 and name HG*  ))    4.36  2.56  0.65
 assign ((resid  57 and name HB   ))   ((resid  67 and name HD*  ))    4.73  2.93  0.71
 assign ((resid  57 and name HB   ))   ((resid  67 and name HE*  ))    6.00  4.20  0.90
 assign ((resid  57 and name HG2* ))   ((resid  67 and name HG*  ))    3.97  2.17  0.60
 assign ((resid  58 and name HA   ))   ((resid  58 and name HG*  ))    3.30  1.50  0.50
 assign ((resid  58 and name HG*  ))   ((resid  59 and name HN   ))    3.72  1.92  0.56
 assign ((resid  58 and name HG*  ))   ((resid  62 and name HN   ))    5.10  3.30  0.77
 assign ((resid  58 and name HG*  ))   ((resid  62 and name HA   ))    5.35  3.55  0.80
 assign ((resid  58 and name HG*  ))   ((resid  63 and name HN   ))    5.66  3.86  0.85
 assign ((resid  58 and name HG*  ))   ((resid  64 and name HA   ))    5.35  3.55  0.80
 assign ((resid  58 and name HG*  ))   ((resid  64 and name HD*  ))    3.89  2.09  0.58
 assign ((resid  59 and name HN   ))   ((resid  60 and name HD*  ))    6.28  4.48  0.94
 assign ((resid  59 and name HA   ))   ((resid  60 and name HD*  ))    3.26  1.46  0.49
 assign ((resid  59 and name HB2  ))   ((resid  60 and name HD*  ))    4.22  2.42  0.63
 assign ((resid  59 and name HB1  ))   ((resid  60 and name HD*  ))    3.29  1.49  0.49
 assign ((resid  59 and name HD1* ))   ((resid  60 and name HD*  ))    4.59  2.79  0.69
 assign ((resid  59 and name HD1* ))   ((resid  80 and name HB*  ))    4.50  2.70  0.68
 assign ((resid  59 and name HD2* ))   ((resid  60 and name HD*  ))    3.80  2.00  0.57
 assign ((resid  59 and name HD2* ))   ((resid  61 and name HB*  ))    6.27  4.47  0.94
 assign ((resid  59 and name HD2* ))   ((resid  80 and name HB*  ))    5.13  3.33  0.77
 assign ((resid  60 and name HG*  ))   ((resid  61 and name HN   ))    4.42  2.62  0.66
 assign ((resid  60 and name HG*  ))   ((resid  87 and name HA   ))    4.35  2.55  0.65
 assign ((resid  60 and name HG*  ))   ((resid  87 and name HD*  ))    4.05  2.25  0.61
 assign ((resid  60 and name HG*  ))   ((resid  87 and name HE*  ))    4.83  3.03  0.72
 assign ((resid  60 and name HG*  ))   ((resid  89 and name HD2  ))    4.79  2.99  0.72
 assign ((resid  60 and name HG*  ))   ((resid  89 and name HD1  ))    4.08  2.28  0.61
 assign ((resid  60 and name HD*  ))   ((resid  61 and name HN   ))    3.88  2.08  0.58
 assign ((resid  60 and name HD*  ))   ((resid  87 and name HD*  ))    3.77  1.97  0.57
 assign ((resid  60 and name HD*  ))   ((resid  87 and name HE*  ))    3.73  1.93  0.56
 assign ((resid  61 and name HA   ))   ((resid  85 and name HB*  ))    5.37  3.57  0.81
 assign ((resid  61 and name HB*  ))   ((resid  85 and name HB*  ))    4.34  2.54  0.65
 assign ((resid  62 and name HB*  ))   ((resid  62 and name HD2  ))    3.12  1.32  0.47
 assign ((resid  65 and name HB1  ))   ((resid  69 and name HB*  ))    6.27  4.47  0.94
 assign ((resid  66 and name HN   ))   ((resid  69 and name HB*  ))    4.20  2.40  0.63
 assign ((resid  66 and name HB2  ))   ((resid  68 and name HG*  ))    4.71  2.91  0.71
 assign ((resid  66 and name HB2  ))   ((resid  69 and name HB*  ))    4.18  2.38  0.63
 assign ((resid  66 and name HB1  ))   ((resid  68 and name HB*  ))    5.25  3.45  0.79
 assign ((resid  66 and name HB1  ))   ((resid  68 and name HG*  ))    6.28  4.48  0.94
 assign ((resid  66 and name HB1  ))   ((resid  69 and name HB*  ))    4.01  2.21  0.60
 assign ((resid  66 and name HD2  ))   ((resid  68 and name HG*  ))    5.96  4.16  0.89
 assign ((resid  67 and name HN   ))   ((resid  67 and name HG*  ))    4.88  3.08  0.73
 assign ((resid  67 and name HN   ))   ((resid  67 and name HD*  ))    5.54  3.74  0.83
 assign ((resid  67 and name HA   ))   ((resid  67 and name HD*  ))    4.56  2.76  0.68
 assign ((resid  67 and name HB2  ))   ((resid  67 and name HD*  ))    3.39  1.59  0.51
 assign ((resid  67 and name HB1  ))   ((resid  67 and name HD*  ))    3.65  1.85  0.55
 assign ((resid  67 and name HB1  ))   ((resid  67 and name HE*  ))    5.20  3.40  0.78
 assign ((resid  67 and name HG*  ))   ((resid  67 and name HE*  ))    3.05  1.25  0.46
 assign ((resid  67 and name HG*  ))   ((resid  68 and name HD1  ))    5.39  3.59  0.81
 assign ((resid  67 and name HG*  ))   ((resid  70 and name HG1* ))    3.71  1.91  0.56
 assign ((resid  67 and name HD*  ))   ((resid  68 and name HD1  ))    5.35  3.55  0.80
 assign ((resid  68 and name HA   ))   ((resid  71 and name HB*  ))    3.87  2.07  0.58
 assign ((resid  68 and name HB*  ))   ((resid  71 and name HN   ))    5.88  4.08  0.88
 assign ((resid  68 and name HB*  ))   ((resid  71 and name HB*  ))    5.61  3.81  0.84
 assign ((resid  68 and name HB*  ))   ((resid  72 and name HD1* ))    5.34  3.54  0.80
 assign ((resid  68 and name HG*  ))   ((resid  69 and name HN   ))    3.63  1.83  0.54
 assign ((resid  68 and name HG*  ))   ((resid  70 and name HN   ))    5.73  3.93  0.86
 assign ((resid  69 and name HN   ))   ((resid  69 and name HB*  ))    3.11  1.31  0.47
 assign ((resid  69 and name HA   ))   ((resid  72 and name HG1* ))    6.27  4.47  0.94
 assign ((resid  69 and name HB*  ))   ((resid  70 and name HN   ))    3.58  1.78  0.54
 assign ((resid  70 and name HG1* ))   ((resid  71 and name HB*  ))    4.23  2.43  0.63
 assign ((resid  70 and name HG2* ))   ((resid  74 and name HB*  ))    4.82  3.02  0.72
 assign ((resid  71 and name HN   ))   ((resid  71 and name HB*  ))    3.17  1.37  0.48
 assign ((resid  71 and name HA   ))   ((resid  74 and name HB*  ))    6.27  4.47  0.94
 assign ((resid  71 and name HB*  ))   ((resid  72 and name HN   ))    3.49  1.69  0.52
 assign ((resid  71 and name HB*  ))   ((resid  72 and name HG1* ))    6.04  4.24  0.91
 assign ((resid  71 and name HB*  ))   ((resid  74 and name HB*  ))    5.54  3.74  0.83
 assign ((resid  71 and name HB*  ))   ((resid  74 and name HD1* ))    5.16  3.36  0.77
 assign ((resid  71 and name HB*  ))   ((resid  75 and name HE*  ))    6.04  4.24  0.91
 assign ((resid  72 and name HN   ))   ((resid  72 and name HG1* ))    3.15  1.35  0.47
 assign ((resid  72 and name HA   ))   ((resid  72 and name HG1* ))    3.04  1.24  0.46
 assign ((resid  72 and name HA   ))   ((resid  75 and name HB*  ))    3.61  1.81  0.54
 assign ((resid  72 and name HA   ))   ((resid  75 and name HG*  ))    4.32  2.52  0.65
 assign ((resid  72 and name HA   ))   ((resid  75 and name HE*  ))    3.89  2.09  0.58
 assign ((resid  72 and name HG2* ))   ((resid  72 and name HG1* ))    2.73  0.93  0.41
 assign ((resid  72 and name HG2* ))   ((resid  75 and name HE*  ))    4.52  2.72  0.68
 assign ((resid  72 and name HG2* ))   ((resid  76 and name HD*  ))    4.83  3.03  0.72
 assign ((resid  72 and name HG2* ))   ((resid  76 and name HE*  ))    3.38  1.58  0.51
 assign ((resid  72 and name HG1* ))   ((resid  73 and name HN   ))    5.55  3.75  0.83
 assign ((resid  72 and name HG1* ))   ((resid  75 and name HE*  ))    5.30  3.50  0.80
 assign ((resid  72 and name HD1* ))   ((resid  75 and name HE*  ))    5.47  3.67  0.82
 assign ((resid  73 and name HN   ))   ((resid  74 and name HB*  ))    6.27  4.47  0.94
 assign ((resid  73 and name HN   ))   ((resid  76 and name HE*  ))    6.27  4.47  0.94
 assign ((resid  73 and name HA   ))   ((resid  76 and name HB*  ))    4.13  2.33  0.62
 assign ((resid  73 and name HA   ))   ((resid  76 and name HG*  ))    5.31  3.51  0.80
 assign ((resid  73 and name HA   ))   ((resid  76 and name HE*  ))    5.11  3.31  0.77
 assign ((resid  73 and name HE3  ))   ((resid  76 and name HD*  ))    6.27  4.47  0.94
 assign ((resid  73 and name HE3  ))   ((resid  76 and name HE*  ))    5.56  3.76  0.83
 assign ((resid  73 and name HE3  ))   ((resid  77 and name HB*  ))    6.27  4.47  0.94
 assign ((resid  73 and name HE1  ))   ((resid  77 and name HB*  ))    5.74  3.94  0.86
 assign ((resid  73 and name HZ3  ))   ((resid  76 and name HE*  ))    6.27  4.47  0.94
 assign ((resid  73 and name HZ3  ))   ((resid  77 and name HB*  ))    6.27  4.47  0.94
 assign ((resid  73 and name HZ2  ))   ((resid  77 and name HB*  ))    4.78  2.98  0.72
 assign ((resid  73 and name HH2  ))   ((resid  77 and name HB*  ))    6.27  4.47  0.94
 assign ((resid  74 and name HN   ))   ((resid  74 and name HB*  ))    3.27  1.47  0.49
 assign ((resid  74 and name HB*  ))   ((resid  74 and name HG   ))    2.60  0.80  0.39
 assign ((resid  74 and name HB*  ))   ((resid  74 and name HD1* ))    3.25  1.45  0.49
 assign ((resid  74 and name HB*  ))   ((resid  74 and name HD2* ))    3.28  1.48  0.49
 assign ((resid  74 and name HB*  ))   ((resid  75 and name HN   ))    4.13  2.33  0.62
 assign ((resid  74 and name HB*  ))   ((resid  87 and name HD*  ))    6.27  4.47  0.94
 assign ((resid  74 and name HD1* ))   ((resid  87 and name HB*  ))    5.16  3.36  0.77
 assign ((resid  74 and name HD2* ))   ((resid  78 and name HA*  ))    3.24  1.44  0.49
 assign ((resid  74 and name HD2* ))   ((resid  87 and name HB*  ))    3.56  1.76  0.53
 assign ((resid  75 and name HN   ))   ((resid  75 and name HB*  ))    2.95  1.15  0.44
 assign ((resid  75 and name HN   ))   ((resid  75 and name HG*  ))    3.28  1.48  0.49
 assign ((resid  75 and name HN   ))   ((resid  75 and name HE*  ))    5.12  3.32  0.77
 assign ((resid  75 and name HN   ))   ((resid  76 and name HB*  ))    5.56  3.76  0.83
 assign ((resid  75 and name HN   ))   ((resid  76 and name HG*  ))    5.78  3.98  0.87
 assign ((resid  75 and name HA   ))   ((resid  75 and name HG*  ))    3.07  1.27  0.46
 assign ((resid  75 and name HB*  ))   ((resid  75 and name HE*  ))    3.65  1.85  0.55
 assign ((resid  75 and name HB*  ))   ((resid  77 and name HN   ))    6.27  4.47  0.94
 assign ((resid  75 and name HG*  ))   ((resid  75 and name HE*  ))    2.94  1.14  0.44
 assign ((resid  75 and name HG*  ))   ((resid  76 and name HN   ))    6.27  4.47  0.94
 assign ((resid  76 and name HN   ))   ((resid  76 and name HB*  ))    2.92  1.12  0.44
 assign ((resid  76 and name HN   ))   ((resid  76 and name HG*  ))    3.64  1.84  0.55
 assign ((resid  76 and name HN   ))   ((resid  76 and name HD*  ))    5.15  3.35  0.77
 assign ((resid  76 and name HN   ))   ((resid  76 and name HE*  ))    5.61  3.81  0.84
 assign ((resid  76 and name HN   ))   ((resid  77 and name HB*  ))    6.27  4.47  0.94
 assign ((resid  76 and name HA   ))   ((resid  76 and name HG*  ))    3.57  1.77  0.54
 assign ((resid  76 and name HA   ))   ((resid  76 and name HD*  ))    5.06  3.26  0.76
 assign ((resid  76 and name HB*  ))   ((resid  76 and name HD*  ))    3.18  1.38  0.48
 assign ((resid  76 and name HB*  ))   ((resid  76 and name HE*  ))    4.21  2.41  0.63
 assign ((resid  76 and name HB*  ))   ((resid  77 and name HN   ))    3.14  1.34  0.47
 assign ((resid  76 and name HB*  ))   ((resid  77 and name HA   ))    4.84  3.04  0.73
 assign ((resid  76 and name HB*  ))   ((resid  77 and name HB*  ))    4.81  3.01  0.72
 assign ((resid  76 and name HG*  ))   ((resid  76 and name HE*  ))    3.22  1.42  0.48
 assign ((resid  76 and name HG*  ))   ((resid  77 and name HN   ))    4.28  2.48  0.64
 assign ((resid  76 and name HG*  ))   ((resid  77 and name HB*  ))    5.50  3.70  0.83
 assign ((resid  77 and name HB*  ))   ((resid  79 and name HN   ))    5.92  4.12  0.89
 assign ((resid  77 and name HB*  ))   ((resid  79 and name HG2* ))    6.27  4.47  0.94
 assign ((resid  78 and name HA*  ))   ((resid  87 and name HB*  ))    5.56  3.76  0.83
 assign ((resid  78 and name HA*  ))   ((resid  87 and name HD*  ))    6.17  4.37  0.93
 assign ((resid  79 and name HA   ))   ((resid  87 and name HB*  ))    6.27  4.47  0.94
 assign ((resid  79 and name HB   ))   ((resid  84 and name HB*  ))    4.94  3.14  0.74
 assign ((resid  79 and name HB   ))   ((resid  84 and name HG*  ))    5.88  4.08  0.88
 assign ((resid  79 and name HG2* ))   ((resid  84 and name HB*  ))    5.30  3.50  0.80
 assign ((resid  79 and name HG2* ))   ((resid  84 and name HG*  ))    4.50  2.70  0.68
 assign ((resid  79 and name HG2* ))   ((resid  84 and name HD*  ))    5.23  3.43  0.78
 assign ((resid  79 and name HG2* ))   ((resid  86 and name HB*  ))    4.48  2.68  0.67
 assign ((resid  79 and name HG2* ))   ((resid  86 and name HG*  ))    4.29  2.49  0.64
 assign ((resid  80 and name HN   ))   ((resid  85 and name HB*  ))    5.11  3.31  0.77
 assign ((resid  80 and name HB*  ))   ((resid  82 and name HN   ))    6.27  4.47  0.94
 assign ((resid  80 and name HB*  ))   ((resid  83 and name HN   ))    3.81  2.01  0.57
 assign ((resid  80 and name HB*  ))   ((resid  84 and name HN   ))    3.40  1.60  0.51
 assign ((resid  80 and name HB*  ))   ((resid  84 and name HA   ))    3.86  2.06  0.58
 assign ((resid  80 and name HB*  ))   ((resid  85 and name HN   ))    3.19  1.39  0.48
 assign ((resid  83 and name HN   ))   ((resid  85 and name HB*  ))    6.13  4.33  0.92
 assign ((resid  84 and name HN   ))   ((resid  84 and name HG*  ))    4.30  2.50  0.65
 assign ((resid  84 and name HN   ))   ((resid  85 and name HB*  ))    5.67  3.87  0.85
 assign ((resid  84 and name HA   ))   ((resid  84 and name HG*  ))    3.57  1.77  0.54
 assign ((resid  84 and name HA   ))   ((resid  85 and name HB*  ))    6.27  4.47  0.94
 assign ((resid  84 and name HB*  ))   ((resid  84 and name HD*  ))    3.23  1.43  0.48
 assign ((resid  85 and name HN   ))   ((resid  85 and name HB*  ))    2.97  1.17  0.45
 assign ((resid  85 and name HA   ))   ((resid  86 and name HB*  ))    5.18  3.38  0.78
 assign ((resid  85 and name HB*  ))   ((resid  86 and name HN   ))    3.77  1.97  0.57
 assign ((resid  86 and name HN   ))   ((resid  86 and name HG*  ))    3.97  2.17  0.60
 assign ((resid  86 and name HA   ))   ((resid  86 and name HG*  ))    3.25  1.45  0.49
 assign ((resid  86 and name HB*  ))   ((resid  87 and name HN   ))    3.76  1.96  0.56
 assign ((resid  86 and name HB*  ))   ((resid  89 and name HA   ))    4.14  2.34  0.62
 assign ((resid  86 and name HG*  ))   ((resid  86 and name HE*  ))    3.36  1.56  0.50
 assign ((resid  86 and name HG*  ))   ((resid  90 and name HD2  ))    5.84  4.04  0.88
 assign ((resid  86 and name HG*  ))   ((resid  90 and name HD1  ))    5.72  3.92  0.86
 assign ((resid  87 and name HD*  ))   ((resid  88 and name HD*  ))    4.17  2.37  0.63
 assign ((resid  88 and name HA   ))   ((resid  89 and name HG*  ))    4.54  2.74  0.68
 assign ((resid  88 and name HB2  ))   ((resid  89 and name HG*  ))    5.39  3.59  0.81
 assign ((resid  89 and name HB*  ))   ((resid  90 and name HD2  ))    3.19  1.39  0.48
 assign ((resid  89 and name HB*  ))   ((resid  90 and name HD1  ))    3.64  1.84  0.55
!
! ACO file produced by PDBStat
! Version:  5.1-Exp Compiled 2008-08-11 on (europa)
!
 dihedral
   assign (resid  18 and name C   )   (resid  19 and name N   )
          (resid  19 and name CA  )   (resid  19 and name C   )   1.0    -58.50    20.00   2 
   assign (resid  19 and name N   )   (resid  19 and name CA  )
          (resid  19 and name C   )   (resid  20 and name N   )   1.0    -35.80    20.00   2 
   assign (resid  19 and name C   )   (resid  20 and name N   )
          (resid  20 and name CA  )   (resid  20 and name C   )   1.0    -61.90    20.00   2 
   assign (resid  20 and name N   )   (resid  20 and name CA  )
          (resid  20 and name C   )   (resid  21 and name N   )   1.0    -38.50    20.00   2 
   assign (resid  20 and name C   )   (resid  21 and name N   )
          (resid  21 and name CA  )   (resid  21 and name C   )   1.0    -66.50    20.00   2 
   assign (resid  21 and name N   )   (resid  21 and name CA  )
          (resid  21 and name C   )   (resid  22 and name N   )   1.0    -39.10    20.00   2 
   assign (resid  21 and name C   )   (resid  22 and name N   )
          (resid  22 and name CA  )   (resid  22 and name C   )   1.0    -67.40    20.00   2 
   assign (resid  22 and name N   )   (resid  22 and name CA  )
          (resid  22 and name C   )   (resid  23 and name N   )   1.0    -41.90    20.00   2 
   assign (resid  22 and name C   )   (resid  23 and name N   )
          (resid  23 and name CA  )   (resid  23 and name C   )   1.0    -62.60    20.00   2 
   assign (resid  23 and name N   )   (resid  23 and name CA  )
          (resid  23 and name C   )   (resid  24 and name N   )   1.0    -32.15    20.05   2 
   assign (resid  23 and name C   )   (resid  24 and name N   )
          (resid  24 and name CA  )   (resid  24 and name C   )   1.0    -81.00    28.50   2 
   assign (resid  24 and name N   )   (resid  24 and name CA  )
          (resid  24 and name C   )   (resid  25 and name N   )   1.0    -14.60    20.00   2 
   assign (resid  26 and name C   )   (resid  27 and name N   )
          (resid  27 and name CA  )   (resid  27 and name C   )   1.0   -100.50    31.20   2 
   assign (resid  27 and name N   )   (resid  27 and name CA  )
          (resid  27 and name C   )   (resid  28 and name N   )   1.0    124.30    21.30   2 
   assign (resid  27 and name C   )   (resid  28 and name N   )
          (resid  28 and name CA  )   (resid  28 and name C   )   1.0   -104.00    21.10   2 
   assign (resid  28 and name N   )   (resid  28 and name CA  )
          (resid  28 and name C   )   (resid  29 and name N   )   1.0    121.00    20.00   2 
   assign (resid  28 and name C   )   (resid  29 and name N   )
          (resid  29 and name CA  )   (resid  29 and name C   )   1.0    -88.45    21.75   2 
   assign (resid  29 and name N   )   (resid  29 and name CA  )
          (resid  29 and name C   )   (resid  30 and name N   )   1.0    120.85    23.65   2 
   assign (resid  29 and name C   )   (resid  30 and name N   )
          (resid  30 and name CA  )   (resid  30 and name C   )   1.0    -80.30    21.60   2 
   assign (resid  30 and name N   )   (resid  30 and name CA  )
          (resid  30 and name C   )   (resid  31 and name N   )   1.0    126.05    38.15   2 
   assign (resid  30 and name C   )   (resid  31 and name N   )
          (resid  31 and name CA  )   (resid  31 and name C   )   1.0   -103.35    43.35   2 
   assign (resid  31 and name N   )   (resid  31 and name CA  )
          (resid  31 and name C   )   (resid  32 and name N   )   1.0    130.75    42.05   2 
   assign (resid  41 and name C   )   (resid  42 and name N   )
          (resid  42 and name CA  )   (resid  42 and name C   )   1.0   -127.95    54.45   2 
   assign (resid  42 and name N   )   (resid  42 and name CA  )
          (resid  42 and name C   )   (resid  43 and name N   )   1.0    140.70    34.70   2 
   assign (resid  42 and name C   )   (resid  43 and name N   )
          (resid  43 and name CA  )   (resid  43 and name C   )   1.0   -111.55    41.85   2 
   assign (resid  43 and name N   )   (resid  43 and name CA  )
          (resid  43 and name C   )   (resid  44 and name N   )   1.0    113.90    51.90   2 
   assign (resid  48 and name C   )   (resid  49 and name N   )
          (resid  49 and name CA  )   (resid  49 and name C   )   1.0    -90.10    70.00   2 
   assign (resid  49 and name N   )   (resid  49 and name CA  )
          (resid  49 and name C   )   (resid  50 and name N   )   1.0    147.85    42.15   2 
   assign (resid  49 and name C   )   (resid  50 and name N   )
          (resid  50 and name CA  )   (resid  50 and name C   )   1.0    -82.75    51.55   2 
   assign (resid  50 and name N   )   (resid  50 and name CA  )
          (resid  50 and name C   )   (resid  51 and name N   )   1.0    133.00    48.30   2 
   assign (resid  53 and name C   )   (resid  54 and name N   )
          (resid  54 and name CA  )   (resid  54 and name C   )   1.0    -67.00    20.00   2 
   assign (resid  54 and name N   )   (resid  54 and name CA  )
          (resid  54 and name C   )   (resid  55 and name N   )   1.0    146.10    20.00   2 
   assign (resid  54 and name C   )   (resid  55 and name N   )
          (resid  55 and name CA  )   (resid  55 and name C   )   1.0   -101.80    53.80   2 
   assign (resid  55 and name N   )   (resid  55 and name CA  )
          (resid  55 and name C   )   (resid  56 and name N   )   1.0    121.65    33.25   2 
   assign (resid  55 and name C   )   (resid  56 and name N   )
          (resid  56 and name CA  )   (resid  56 and name C   )   1.0   -107.50    25.30   2 
   assign (resid  56 and name N   )   (resid  56 and name CA  )
          (resid  56 and name C   )   (resid  57 and name N   )   1.0    147.00    29.90   2 
   assign (resid  56 and name C   )   (resid  57 and name N   )
          (resid  57 and name CA  )   (resid  57 and name C   )   1.0   -121.90    30.70   2 
   assign (resid  57 and name N   )   (resid  57 and name CA  )
          (resid  57 and name C   )   (resid  58 and name N   )   1.0    139.75    41.55   2 
   assign (resid  57 and name C   )   (resid  58 and name N   )
          (resid  58 and name CA  )   (resid  58 and name C   )   1.0   -127.50    20.00   2 
   assign (resid  58 and name N   )   (resid  58 and name CA  )
          (resid  58 and name C   )   (resid  59 and name N   )   1.0    146.00    28.50   2 
   assign (resid  58 and name C   )   (resid  59 and name N   )
          (resid  59 and name CA  )   (resid  59 and name C   )   1.0    -71.50    21.60   2 
   assign (resid  59 and name N   )   (resid  59 and name CA  )
          (resid  59 and name C   )   (resid  60 and name N   )   1.0    136.05    39.45   2 
   assign (resid  63 and name C   )   (resid  64 and name N   )
          (resid  64 and name CA  )   (resid  64 and name C   )   1.0   -118.15    42.95   2 
   assign (resid  64 and name N   )   (resid  64 and name CA  )
          (resid  64 and name C   )   (resid  65 and name N   )   1.0    158.45    25.15   2 
   assign (resid  64 and name C   )   (resid  65 and name N   )
          (resid  65 and name CA  )   (resid  65 and name C   )   1.0   -137.20    20.00   2 
   assign (resid  65 and name N   )   (resid  65 and name CA  )
          (resid  65 and name C   )   (resid  66 and name N   )   1.0    154.55    20.65   2 
   assign (resid  66 and name C   )   (resid  67 and name N   )
          (resid  67 and name CA  )   (resid  67 and name C   )   1.0    -52.30    20.00   2 
   assign (resid  67 and name N   )   (resid  67 and name CA  )
          (resid  67 and name C   )   (resid  68 and name N   )   1.0    -46.70    20.00   2 
   assign (resid  68 and name C   )   (resid  69 and name N   )
          (resid  69 and name CA  )   (resid  69 and name C   )   1.0    -64.20    20.00   2 
   assign (resid  69 and name N   )   (resid  69 and name CA  )
          (resid  69 and name C   )   (resid  70 and name N   )   1.0    -32.85    20.45   2 
   assign (resid  69 and name C   )   (resid  70 and name N   )
          (resid  70 and name CA  )   (resid  70 and name C   )   1.0    -74.50    25.70   2 
   assign (resid  70 and name N   )   (resid  70 and name CA  )
          (resid  70 and name C   )   (resid  71 and name N   )   1.0    -35.60    22.10   2 
   assign (resid  70 and name C   )   (resid  71 and name N   )
          (resid  71 and name CA  )   (resid  71 and name C   )   1.0    -60.70    20.00   2 
   assign (resid  71 and name N   )   (resid  71 and name CA  )
          (resid  71 and name C   )   (resid  72 and name N   )   1.0    -46.70    20.00   2 
   assign (resid  71 and name C   )   (resid  72 and name N   )
          (resid  72 and name CA  )   (resid  72 and name C   )   1.0    -62.90    20.00   2 
   assign (resid  72 and name N   )   (resid  72 and name CA  )
          (resid  72 and name C   )   (resid  73 and name N   )   1.0    -43.30    20.00   2 
   assign (resid  72 and name C   )   (resid  73 and name N   )
          (resid  73 and name CA  )   (resid  73 and name C   )   1.0    -63.00    20.00   2 
   assign (resid  73 and name N   )   (resid  73 and name CA  )
          (resid  73 and name C   )   (resid  74 and name N   )   1.0    -36.75    25.35   2 
   assign (resid  73 and name C   )   (resid  74 and name N   )
          (resid  74 and name CA  )   (resid  74 and name C   )   1.0    -69.75    20.65   2 
   assign (resid  74 and name N   )   (resid  74 and name CA  )
          (resid  74 and name C   )   (resid  75 and name N   )   1.0    -31.05    28.65   2 
   assign (resid  74 and name C   )   (resid  75 and name N   )
          (resid  75 and name CA  )   (resid  75 and name C   )   1.0    -76.40    42.30   2 
   assign (resid  75 and name N   )   (resid  75 and name CA  )
          (resid  75 and name C   )   (resid  76 and name N   )   1.0    -32.20    33.20   2 
   assign (resid  75 and name C   )   (resid  76 and name N   )
          (resid  76 and name CA  )   (resid  76 and name C   )   1.0    -81.40    39.10   2 
   assign (resid  76 and name N   )   (resid  76 and name CA  )
          (resid  76 and name C   )   (resid  77 and name N   )   1.0    -27.80    51.40   2 
   assign (resid  78 and name C   )   (resid  79 and name N   )
          (resid  79 and name CA  )   (resid  79 and name C   )   1.0   -124.25    25.05   2 
   assign (resid  79 and name N   )   (resid  79 and name CA  )
          (resid  79 and name C   )   (resid  80 and name N   )   1.0    135.45    30.35   2 
   assign (resid  79 and name C   )   (resid  80 and name N   )
          (resid  80 and name CA  )   (resid  80 and name C   )   1.0   -120.10    45.50   2 
   assign (resid  80 and name N   )   (resid  80 and name CA  )
          (resid  80 and name C   )   (resid  81 and name N   )   1.0    118.70    36.40   2 
 end
assign (resid 143 and name "ZN+2" )(resid 43 and name SG ) 2.25 0.0 0.15  
assign (resid 143 and name "ZN+2" )(resid 46 and name SG ) 2.25 0.0 0.15  
assign (resid 143 and name "ZN+2" )(resid 66 and name ND1 ) 1.95 0.0 0.15  
assign (resid 143 and name "ZN+2" )(resid 69 and name SG ) 2.25 0.0 0.15  
assign (resid 143 and name "ZN+2" )(resid 66 and name NE2 ) 3.75 0.0 0.75
assign (resid 43 and name SG )(resid 46 and name SG ) 3.65 0.0 0.25  
assign (resid 43 and name SG )(resid 66 and name ND1 ) 3.45 0.0 0.35  
assign (resid 43 and name SG )(resid 69 and name SG ) 3.65 0.0 0.25
assign (resid 46 and name SG )(resid 66 and name ND1 ) 3.45 0.0 0.35  
assign (resid 46 and name SG )(resid 69 and name SG ) 3.65 0.0 0.25  
assign (resid 143 and name "ZN+2" )(resid 43 and name CB ) 3.0 0.0 0.60
assign (resid 143 and name "ZN+2" )(resid 46 and name CB ) 3.0 0.0 0.60
assign (resid 143 and name "ZN+2" )(resid 69 and name CB ) 3.0 0.0 0.60
assign (resid 66 and name ND1 )(resid 69 and name SG ) 3.45 0.0 0.35 
assign (resid 161 and name "ZN+2" )(resid 61 and name SG ) 2.25 0.0 0.15  
assign (resid 161 and name "ZN+2" )(resid 80 and name SG ) 2.25 0.0 0.15  
assign (resid 161 and name "ZN+2" )(resid 63 and name ND1 ) 1.95 0.0 0.15  
assign (resid 161 and name "ZN+2" )(resid 83 and name SG ) 2.25 0.0 0.15
assign (resid 161 and name "ZN+2" )(resid 63 and name NE2 ) 3.75 0.0 0.75  
assign (resid 61 and name SG )(resid 80 and name SG ) 3.65 0.0 0.25  
assign (resid 61 and name SG )(resid 63 and name ND1 ) 3.45 0.0 0.35  
assign (resid 61 and name SG )(resid 83 and name SG ) 3.65 0.0 0.25
assign (resid 80 and name SG )(resid 63 and name ND1 ) 3.45 0.0 0.35  
assign (resid 80 and name SG )(resid 83 and name SG ) 3.65 0.0 0.25  
assign (resid 63 and name ND1 )(resid 83 and name SG ) 3.45 0.0 0.35 
assign (resid 161 and name "ZN+2" )(resid 61 and name CB ) 3.0 0.0 0.60
assign (resid 161 and name "ZN+2" )(resid 80 and name CB ) 3.0 0.0 0.60
assign (resid 161 and name "ZN+2" )(resid 83 and name CB ) 3.0 0.0 0.60


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   MET   1           1H       MET   1 -23.187  14.973   3.334
    2    H2   MET   1           2H       MET   1 -22.385  15.836   2.115
    3    H3   MET   1           3H       MET   1 -24.057  15.596   2.016
    4    HA   MET   1           HA       MET   1 -23.498  17.846   2.698
    5    HB2  MET   1           2HB      MET   1 -24.831  16.134   4.807
    6    HB3  MET   1           3HB      MET   1 -24.864  17.890   4.805
    7    HG2  MET   1           2HG      MET   1 -26.909  17.213   3.893
    8    HG3  MET   1           3HG      MET   1 -25.934  17.742   2.525
    9    HE1  MET   1           3HE      MET   1 -25.787  14.373   4.581
   10    HE2  MET   1           1HE      MET   1 -26.802  13.332   3.582
   11    HE3  MET   1           2HE      MET   1 -27.511  14.709   4.425
   12    H    GLY   2           H        GLY   2 -21.612  18.741   3.232
   13    HA2  GLY   2           2HA      GLY   2 -20.337  17.862   5.748
   14    HA3  GLY   2           3HA      GLY   2 -19.490  18.628   4.410
   15    H    HIS   3           H        HIS   3 -22.108  19.213   6.726
   16    HA   HIS   3           HA       HIS   3 -21.877  22.079   6.337
   17    HB2  HIS   3           2HB      HIS   3 -24.078  20.835   6.671
   18    HB3  HIS   3           3HB      HIS   3 -23.614  20.663   8.361
   19    HD1  HIS   3           HD1      HIS   3 -24.921  23.091   5.887
   20    HD2  HIS   3           HD2      HIS   3 -23.613  23.097   9.839
   21    HE1  HIS   3           HE1      HIS   3 -25.678  25.290   6.853
   22    HE2  HIS   3           HE2      HIS   3 -24.952  25.238   9.267
   23    H    HIS   4           H        HIS   4 -21.253  19.685   8.869
   24    HA   HIS   4           HA       HIS   4 -19.707  21.765  10.270
   25    HB2  HIS   4           2HB      HIS   4 -19.947  20.520  12.337
   26    HB3  HIS   4           3HB      HIS   4 -21.537  20.809  11.650
   27    HD1  HIS   4           HD1      HIS   4 -19.302  18.154  12.833
   28    HD2  HIS   4           HD2      HIS   4 -22.748  18.435  10.521
   29    HE1  HIS   4           HE1      HIS   4 -20.246  15.822  12.727
   30    HE2  HIS   4           HE2      HIS   4 -22.230  15.989  11.178
   31    H    HIS   5           H        HIS   5 -17.577  21.589  10.176
   32    HA   HIS   5           HA       HIS   5 -16.511  19.160   8.945
   33    HB2  HIS   5           2HB      HIS   5 -15.394  21.957   9.153
   34    HB3  HIS   5           3HB      HIS   5 -14.473  20.595   8.526
   35    HD1  HIS   5           HD1      HIS   5 -16.132  23.345   7.246
   36    HD2  HIS   5           HD2      HIS   5 -16.369  19.274   6.403
   37    HE1  HIS   5           HE1      HIS   5 -17.127  23.179   4.936
   38    HE2  HIS   5           HE2      HIS   5 -17.196  20.709   4.422
   39    H    HIS   6           H        HIS   6 -16.312  17.814  10.728
   40    HA   HIS   6           HA       HIS   6 -14.410  18.613  12.788
   41    HB2  HIS   6           2HB      HIS   6 -16.439  17.186  13.322
   42    HB3  HIS   6           3HB      HIS   6 -15.677  15.892  12.404
   43    HD1  HIS   6           HD1      HIS   6 -14.623  14.257  13.946
   44    HD2  HIS   6           HD2      HIS   6 -14.346  18.147  15.385
   45    HE1  HIS   6           HE1      HIS   6 -13.412  14.085  16.141
   46    HE2  HIS   6           HE2      HIS   6 -13.488  16.414  17.099
   47    H    HIS   7           H        HIS   7 -12.621  18.942  11.505
   48    HA   HIS   7           HA       HIS   7 -11.845  17.156   9.436
   49    HB2  HIS   7           2HB      HIS   7 -11.380  19.577   9.386
   50    HB3  HIS   7           3HB      HIS   7 -10.284  19.390  10.749
   51    HD1  HIS   7           HD1      HIS   7  -8.019  19.770   9.828
   52    HD2  HIS   7           HD2      HIS   7 -10.321  17.337   7.356
   53    HE1  HIS   7           HE1      HIS   7  -6.494  19.066   7.952
   54    HE2  HIS   7           HE2      HIS   7  -7.871  17.507   6.527
   55    H    HIS   8           H        HIS   8 -10.839  17.624  12.771
   56    HA   HIS   8           HA       HIS   8  -8.734  15.617  12.435
   57    HB2  HIS   8           2HB      HIS   8  -8.276  17.774  13.650
   58    HB3  HIS   8           3HB      HIS   8  -9.386  17.235  14.904
   59    HD1  HIS   8           HD1      HIS   8  -8.241  16.177  16.824
   60    HD2  HIS   8           HD2      HIS   8  -6.129  15.672  13.272
   61    HE1  HIS   8           HE1      HIS   8  -6.132  14.948  17.447
   62    HE2  HIS   8           HE2      HIS   8  -4.946  14.523  15.262
   63    H    SER   9           H        SER   9  -9.633  13.639  12.419
   64    HA   SER   9           HA       SER   9 -11.786  12.974  14.248
   65    HB2  SER   9           2HB      SER   9 -11.677  12.178  11.841
   66    HB3  SER   9           3HB      SER   9 -10.339  11.137  12.326
   67    HG   SER   9           HG       SER   9 -12.039   9.841  12.603
   68    H    HIS  10           H        HIS  10 -11.622  10.956  15.546
   69    HA   HIS  10           HA       HIS  10 -10.666   9.591  17.091
   70    HB2  HIS  10           2HB      HIS  10  -8.186  10.265  15.533
   71    HB3  HIS  10           3HB      HIS  10  -8.078   9.366  17.039
   72    HD1  HIS  10           HD1      HIS  10  -7.478   7.089  16.249
   73    HD2  HIS  10           HD2      HIS  10 -10.673   8.695  14.127
   74    HE1  HIS  10           HE1      HIS  10  -8.303   5.236  14.763
   75    HE2  HIS  10           HE2      HIS  10 -10.333   6.180  13.610
   76    H    MET  11           H        MET  11 -10.075   9.816  19.194
   77    HA   MET  11           HA       MET  11  -9.301  12.474  20.096
   78    HB2  MET  11           2HB      MET  11  -9.983   9.940  21.599
   79    HB3  MET  11           3HB      MET  11  -9.500  11.436  22.385
   80    HG2  MET  11           2HG      MET  11 -11.435  12.570  21.447
   81    HG3  MET  11           3HG      MET  11 -11.915  11.087  20.623
   82    HE1  MET  11           3HE      MET  11 -14.336  11.240  21.697
   83    HE2  MET  11           1HE      MET  11 -13.867  12.737  22.503
   84    HE3  MET  11           2HE      MET  11 -14.627  11.440  23.425
   85    H    VAL  12           H        VAL  12  -7.989   9.291  19.688
   86    HA   VAL  12           HA       VAL  12  -5.349  10.321  20.474
   87    HB   VAL  12           HB       VAL  12  -6.012   8.550  21.999
   88   HG11  VAL  12          1HG1      VAL  12  -6.388   6.846  19.544
   89   HG12  VAL  12          2HG1      VAL  12  -7.648   7.400  20.648
   90   HG13  VAL  12          3HG1      VAL  12  -6.425   6.259  21.206
   91   HG21  VAL  12          3HG2      VAL  12  -4.145   6.996  21.678
   92   HG22  VAL  12          1HG2      VAL  12  -3.660   8.668  21.394
   93   HG23  VAL  12          2HG2      VAL  12  -3.942   7.588  20.030
   94    H    ALA  13           H        ALA  13  -3.729  10.158  18.996
   95    HA   ALA  13           HA       ALA  13  -4.588   9.722  16.277
   96    HB1  ALA  13           3HB      ALA  13  -2.398  10.605  15.660
   97    HB2  ALA  13           1HB      ALA  13  -1.901  10.569  17.352
   98    HB3  ALA  13           2HB      ALA  13  -3.197  11.648  16.836
   99    H    ASN  14           H        ASN  14  -3.594   8.339  14.780
  100    HA   ASN  14           HA       ASN  14  -2.717   5.821  15.928
  101    HB2  ASN  14           2HB      ASN  14  -3.488   6.666  13.134
  102    HB3  ASN  14           3HB      ASN  14  -2.808   5.081  13.482
  103   HD21  ASN  14          1HD2      ASN  14  -4.667   4.076  12.769
  104   HD22  ASN  14          2HD2      ASN  14  -6.124   4.043  13.703
  105    HA   PRO  15           HA       PRO  15   1.533   6.813  15.085
  106    HB2  PRO  15           2HB      PRO  15   2.623   4.466  15.813
  107    HB3  PRO  15           3HB      PRO  15   1.958   5.595  17.000
  108    HG2  PRO  15           2HG      PRO  15   0.745   3.112  15.859
  109    HG3  PRO  15           3HG      PRO  15   0.718   3.707  17.529
  110    HD2  PRO  15           2HD      PRO  15  -1.358   4.006  15.756
  111    HD3  PRO  15           3HD      PRO  15  -1.066   5.084  17.134
  112    HA   PRO  16           HA       PRO  16   2.212   5.157  11.010
  113    HB2  PRO  16           2HB      PRO  16   4.818   5.862  10.728
  114    HB3  PRO  16           3HB      PRO  16   3.493   7.025  10.615
  115    HG2  PRO  16           2HG      PRO  16   5.305   6.433  12.921
  116    HG3  PRO  16           3HG      PRO  16   4.745   8.002  12.313
  117    HD2  PRO  16           2HD      PRO  16   3.647   6.796  14.477
  118    HD3  PRO  16           3HD      PRO  16   2.711   7.831  13.381
  119    H    ALA  17           H        ALA  17   3.271   3.446   9.981
  120    HA   ALA  17           HA       ALA  17   4.170   1.364  11.778
  121    HB1  ALA  17           3HB      ALA  17   4.065  -0.082   9.820
  122    HB2  ALA  17           1HB      ALA  17   3.783   1.319   8.787
  123    HB3  ALA  17           2HB      ALA  17   2.579   0.853   9.988
  124    H    SER  18           H        SER  18   6.055   0.002  11.109
  125    HA   SER  18           HA       SER  18   8.325   1.717  10.448
  126    HB2  SER  18           2HB      SER  18   8.324  -1.163  11.385
  127    HB3  SER  18           3HB      SER  18   9.697  -0.054  11.354
  128    HG   SER  18           HG       SER  18   7.543   0.919  12.747
  129    H    LYS  19           H        LYS  19   9.868   1.091   8.844
  130    HA   LYS  19           HA       LYS  19   8.694   0.375   6.400
  131    HB2  LYS  19           2HB      LYS  19  10.782   1.743   6.719
  132    HB3  LYS  19           3HB      LYS  19  11.639   0.255   7.087
  133    HG2  LYS  19           2HG      LYS  19  10.161   0.536   4.506
  134    HG3  LYS  19           3HG      LYS  19  11.754   1.261   4.705
  135    HD2  LYS  19           2HD      LYS  19  11.412  -1.588   5.487
  136    HD3  LYS  19           3HD      LYS  19  11.425  -1.201   3.768
  137    HE2  LYS  19           2HE      LYS  19  13.657  -1.756   4.451
  138    HE3  LYS  19           3HE      LYS  19  13.585  -0.035   4.091
  139    HZ1  LYS  19           3HZ      LYS  19  13.602  -1.281   6.794
  140    HZ2  LYS  19           1HZ      LYS  19  13.409   0.379   6.502
  141    HZ3  LYS  19           2HZ      LYS  19  14.850  -0.392   6.071
  142    H    GLU  20           H        GLU  20  10.475  -1.506   8.766
  143    HA   GLU  20           HA       GLU  20  10.989  -3.808   7.289
  144    HB2  GLU  20           2HB      GLU  20  10.431  -3.444  10.233
  145    HB3  GLU  20           3HB      GLU  20  10.944  -4.972   9.536
  146    HG2  GLU  20           2HG      GLU  20  12.805  -3.765  10.540
  147    HG3  GLU  20           3HG      GLU  20  13.029  -3.976   8.807
  148    H    SER  21           H        SER  21   8.101  -2.889   9.108
  149    HA   SER  21           HA       SER  21   6.774  -5.385   8.766
  150    HB2  SER  21           2HB      SER  21   5.556  -2.693   9.415
  151    HB3  SER  21           3HB      SER  21   4.858  -4.280   9.743
  152    HG   SER  21           HG       SER  21   6.439  -4.654  11.258
  153    H    ILE  22           H        ILE  22   7.039  -2.486   6.874
  154    HA   ILE  22           HA       ILE  22   4.754  -3.080   5.203
  155    HB   ILE  22           HB       ILE  22   6.951  -1.067   4.694
  156   HG12  ILE  22          2HG1      ILE  22   4.292  -0.605   6.065
  157   HG13  ILE  22          3HG1      ILE  22   5.824  -0.766   6.919
  158   HG21  ILE  22          1HG2      ILE  22   4.115  -1.253   3.676
  159   HG22  ILE  22          2HG2      ILE  22   5.576  -1.600   2.751
  160   HG23  ILE  22          3HG2      ILE  22   5.257   0.040   3.313
  161   HD11  ILE  22          3HD1      ILE  22   5.189   1.562   6.667
  162   HD12  ILE  22          1HD1      ILE  22   5.133   1.370   4.915
  163   HD13  ILE  22          2HD1      ILE  22   6.668   1.214   5.771
  164    H    ASP  23           H        ASP  23   8.268  -3.315   5.025
  165    HA   ASP  23           HA       ASP  23   8.385  -4.142   2.313
  166    HB2  ASP  23           2HB      ASP  23  10.308  -3.180   3.541
  167    HB3  ASP  23           3HB      ASP  23  10.383  -4.631   4.533
  168    H    ALA  24           H        ALA  24   7.582  -5.733   5.229
  169    HA   ALA  24           HA       ALA  24   8.108  -8.406   4.281
  170    HB1  ALA  24           3HB      ALA  24   6.548  -7.487   6.692
  171    HB2  ALA  24           1HB      ALA  24   8.272  -7.859   6.662
  172    HB3  ALA  24           2HB      ALA  24   7.090  -9.133   6.364
  173    H    LEU  25           H        LEU  25   5.767  -6.170   3.566
  174    HA   LEU  25           HA       LEU  25   3.484  -7.896   3.430
  175    HB2  LEU  25           2HB      LEU  25   4.060  -5.231   2.133
  176    HB3  LEU  25           3HB      LEU  25   2.519  -6.058   2.032
  177    HG   LEU  25           HG       LEU  25   3.802  -5.063   4.576
  178   HD11  LEU  25          1HD1      LEU  25   2.009  -3.399   4.561
  179   HD12  LEU  25          2HD1      LEU  25   1.465  -4.000   2.995
  180   HD13  LEU  25          3HD1      LEU  25   3.049  -3.241   3.145
  181   HD21  LEU  25          3HD2      LEU  25   1.097  -6.299   4.072
  182   HD22  LEU  25          1HD2      LEU  25   1.635  -5.594   5.595
  183   HD23  LEU  25          2HD2      LEU  25   2.431  -7.034   4.961
  184    HA   PRO  26           HA       PRO  26   4.207 -10.066  -0.314
  185    HB2  PRO  26           2HB      PRO  26   1.715  -9.991  -1.471
  186    HB3  PRO  26           3HB      PRO  26   2.167 -11.086  -0.161
  187    HG2  PRO  26           2HG      PRO  26   0.698  -8.484  -0.037
  188    HG3  PRO  26           3HG      PRO  26   0.383  -9.992   0.841
  189    HD2  PRO  26           2HD      PRO  26   1.622  -7.918   2.009
  190    HD3  PRO  26           3HD      PRO  26   2.070  -9.597   2.378
  191    H    GLU  27           H        GLU  27   5.298  -9.330  -1.997
  192    HA   GLU  27           HA       GLU  27   4.644  -6.751  -3.166
  193    HB2  GLU  27           2HB      GLU  27   6.875  -8.673  -3.849
  194    HB3  GLU  27           3HB      GLU  27   6.718  -7.019  -4.428
  195    HG2  GLU  27           2HG      GLU  27   6.855  -6.256  -2.059
  196    HG3  GLU  27           3HG      GLU  27   7.216  -7.920  -1.604
  197    H    ILE  28           H        ILE  28   3.314  -6.564  -4.798
  198    HA   ILE  28           HA       ILE  28   2.828  -8.908  -6.508
  199    HB   ILE  28           HB       ILE  28   1.014  -6.556  -5.939
  200   HG12  ILE  28          2HG1      ILE  28   0.786  -9.447  -5.070
  201   HG13  ILE  28          3HG1      ILE  28   1.299  -8.120  -4.032
  202   HG21  ILE  28          1HG2      ILE  28  -0.690  -7.838  -7.159
  203   HG22  ILE  28          2HG2      ILE  28   0.525  -9.051  -7.563
  204   HG23  ILE  28          3HG2      ILE  28   0.678  -7.409  -8.186
  205   HD11  ILE  28          3HD1      ILE  28  -1.019  -8.704  -3.641
  206   HD12  ILE  28          1HD1      ILE  28  -1.396  -8.404  -5.339
  207   HD13  ILE  28          2HD1      ILE  28  -0.887  -7.073  -4.300
  208    H    LEU  29           H        LEU  29   4.167  -8.651  -8.219
  209    HA   LEU  29           HA       LEU  29   4.753  -6.157  -9.435
  210    HB2  LEU  29           2HB      LEU  29   6.231  -8.076  -9.696
  211    HB3  LEU  29           3HB      LEU  29   4.961  -8.977 -10.499
  212    HG   LEU  29           HG       LEU  29   5.020  -7.357 -12.368
  213   HD11  LEU  29          1HD1      LEU  29   6.887  -5.784 -12.530
  214   HD12  LEU  29          2HD1      LEU  29   7.386  -6.209 -10.893
  215   HD13  LEU  29          3HD1      LEU  29   5.837  -5.409 -11.164
  216   HD21  LEU  29          3HD2      LEU  29   7.660  -8.651 -11.694
  217   HD22  LEU  29          1HD2      LEU  29   7.163  -8.105 -13.296
  218   HD23  LEU  29          2HD2      LEU  29   6.295  -9.421 -12.504
  219    H    VAL  30           H        VAL  30   3.325  -4.937 -10.484
  220    HA   VAL  30           HA       VAL  30   0.810  -5.949 -11.353
  221    HB   VAL  30           HB       VAL  30   2.068  -3.296 -12.078
  222   HG11  VAL  30          1HG1      VAL  30  -0.813  -4.189 -12.030
  223   HG12  VAL  30          2HG1      VAL  30   0.161  -3.902 -13.472
  224   HG13  VAL  30          3HG1      VAL  30  -0.244  -2.561 -12.399
  225   HG21  VAL  30          3HG2      VAL  30   2.016  -3.550  -9.663
  226   HG22  VAL  30          1HG2      VAL  30   0.314  -4.008  -9.730
  227   HG23  VAL  30          2HG2      VAL  30   0.806  -2.377 -10.182
  228    H    THR  31           H        THR  31   0.635  -7.240 -13.041
  229    HA   THR  31           HA       THR  31   2.467  -7.042 -15.276
  230    HB   THR  31           HB       THR  31   1.171  -9.033 -16.124
  231    HG1  THR  31           HG1      THR  31  -0.582  -9.633 -15.105
  232   HG21  THR  31          3HG2      THR  31   2.090 -10.596 -14.464
  233   HG22  THR  31          1HG2      THR  31   2.342  -9.255 -13.346
  234   HG23  THR  31          2HG2      THR  31   3.243  -9.321 -14.860
  235    H    GLU  32           H        GLU  32   1.369  -7.315 -17.528
  236    HA   GLU  32           HA       GLU  32  -0.096  -4.867 -17.845
  237    HB2  GLU  32           2HB      GLU  32   0.095  -5.328 -20.262
  238    HB3  GLU  32           3HB      GLU  32   1.636  -5.387 -19.421
  239    HG2  GLU  32           2HG      GLU  32   1.379  -7.887 -19.356
  240    HG3  GLU  32           3HG      GLU  32   0.008  -7.690 -20.450
  241    H    ASP  33           H        ASP  33  -1.071  -8.033 -17.292
  242    HA   ASP  33           HA       ASP  33  -3.636  -7.682 -18.633
  243    HB2  ASP  33           2HB      ASP  33  -4.161  -9.926 -17.938
  244    HB3  ASP  33           3HB      ASP  33  -2.519  -9.930 -18.569
  245    H    HIS  34           H        HIS  34  -2.243  -6.585 -15.895
  246    HA   HIS  34           HA       HIS  34  -4.739  -6.669 -14.344
  247    HB2  HIS  34           2HB      HIS  34  -1.867  -6.456 -13.511
  248    HB3  HIS  34           3HB      HIS  34  -3.136  -5.829 -12.466
  249    HD1  HIS  34           HD1      HIS  34  -1.432  -8.933 -13.437
  250    HD2  HIS  34           HD2      HIS  34  -4.979  -7.847 -11.553
  251    HE1  HIS  34           HE1      HIS  34  -2.244 -11.005 -12.267
  252    HE2  HIS  34           HE2      HIS  34  -4.436 -10.352 -11.206
  253    H    GLY  35           H        GLY  35  -5.749  -4.958 -15.402
  254    HA2  GLY  35           2HA      GLY  35  -4.513  -2.339 -15.417
  255    HA3  GLY  35           3HA      GLY  35  -6.167  -2.722 -15.888
  256    H    ALA  36           H        ALA  36  -6.617  -4.207 -13.403
  257    HA   ALA  36           HA       ALA  36  -6.467  -2.108 -11.359
  258    HB1  ALA  36           3HB      ALA  36  -8.956  -3.673 -12.057
  259    HB2  ALA  36           1HB      ALA  36  -8.694  -1.955 -12.356
  260    HB3  ALA  36           2HB      ALA  36  -8.788  -2.558 -10.701
  261    H    VAL  37           H        VAL  37  -6.150  -2.906  -9.288
  262    HA   VAL  37           HA       VAL  37  -5.854  -5.834  -9.114
  263    HB   VAL  37           HB       VAL  37  -4.198  -3.811  -7.598
  264   HG11  VAL  37          1HG1      VAL  37  -2.774  -5.737  -7.082
  265   HG12  VAL  37          2HG1      VAL  37  -3.891  -6.792  -7.950
  266   HG13  VAL  37          3HG1      VAL  37  -4.417  -5.964  -6.483
  267   HG21  VAL  37          3HG2      VAL  37  -3.459  -5.398 -10.058
  268   HG22  VAL  37          1HG2      VAL  37  -2.356  -4.403  -9.107
  269   HG23  VAL  37          2HG2      VAL  37  -3.694  -3.652  -9.976
  270    H    GLY  38           H        GLY  38  -7.893  -6.165  -8.244
  271    HA2  GLY  38           2HA      GLY  38  -9.325  -6.560  -6.494
  272    HA3  GLY  38           3HA      GLY  38  -8.023  -6.082  -5.418
  273    H    GLN  39           H        GLN  39  -8.868  -3.731  -7.720
  274    HA   GLN  39           HA       GLN  39 -10.902  -2.413  -6.185
  275    HB2  GLN  39           2HB      GLN  39  -9.543  -0.427  -5.620
  276    HB3  GLN  39           3HB      GLN  39  -8.964  -1.872  -4.802
  277    HG2  GLN  39           2HG      GLN  39  -7.160  -2.090  -6.409
  278    HG3  GLN  39           3HG      GLN  39  -7.757  -0.688  -7.294
  279   HE21  GLN  39          1HE2      GLN  39  -7.790  -0.835  -3.819
  280   HE22  GLN  39          2HE2      GLN  39  -6.529   0.312  -3.561
  281    H    GLU  40           H        GLU  40 -10.255   0.223  -7.139
  282    HA   GLU  40           HA       GLU  40 -11.099   0.097  -9.848
  283    HB2  GLU  40           2HB      GLU  40  -9.940   2.361  -8.208
  284    HB3  GLU  40           3HB      GLU  40 -10.609   2.555  -9.820
  285    HG2  GLU  40           2HG      GLU  40 -12.776   2.138  -9.113
  286    HG3  GLU  40           3HG      GLU  40 -12.243   1.346  -7.631
  287    H    MET  41           H        MET  41  -9.705   1.553 -11.459
  288    HA   MET  41           HA       MET  41  -7.235   0.075 -11.767
  289    HB2  MET  41           2HB      MET  41  -7.125   0.975 -13.977
  290    HB3  MET  41           3HB      MET  41  -8.801   0.533 -13.687
  291    HG2  MET  41           2HG      MET  41  -7.691   3.323 -13.463
  292    HG3  MET  41           3HG      MET  41  -8.540   2.680 -14.866
  293    HE1  MET  41           3HE      MET  41 -12.142   2.136 -13.542
  294    HE2  MET  41           1HE      MET  41 -10.842   0.946 -13.632
  295    HE3  MET  41           2HE      MET  41 -11.070   2.105 -14.941
  296    H    CYS  42           H        CYS  42  -7.988   2.670  -9.987
  297    HA   CYS  42           HA       CYS  42  -5.544   4.156 -10.674
  298    HB2  CYS  42           2HB      CYS  42  -8.086   5.221  -9.434
  299    HB3  CYS  42           3HB      CYS  42  -6.655   6.167  -9.828
  300    HG   CYS  42           HG       CYS  42  -8.765   4.650 -12.062
  301    H    CYS  43           H        CYS  43  -4.037   4.343  -9.182
  302    HA   CYS  43           HA       CYS  43  -4.474   3.525  -6.432
  303    HB2  CYS  43           2HB      CYS  43  -2.337   2.954  -7.392
  304    HB3  CYS  43           3HB      CYS  43  -2.077   4.601  -7.941
  305    HA   PRO  44           HA       PRO  44  -6.234   7.585  -5.678
  306    HB2  PRO  44           2HB      PRO  44  -6.104   7.289  -2.891
  307    HB3  PRO  44           3HB      PRO  44  -7.472   6.877  -3.927
  308    HG2  PRO  44           2HG      PRO  44  -5.346   5.121  -2.804
  309    HG3  PRO  44           3HG      PRO  44  -7.059   4.771  -3.099
  310    HD2  PRO  44           2HD      PRO  44  -5.146   3.816  -4.709
  311    HD3  PRO  44           3HD      PRO  44  -6.714   4.349  -5.352
  312    H    ILE  45           H        ILE  45  -3.423   6.407  -3.891
  313    HA   ILE  45           HA       ILE  45  -2.543   8.868  -2.867
  314    HB   ILE  45           HB       ILE  45  -0.819   6.491  -3.594
  315   HG12  ILE  45          2HG1      ILE  45  -2.277   7.073  -1.003
  316   HG13  ILE  45          3HG1      ILE  45  -2.753   5.853  -2.178
  317   HG21  ILE  45          1HG2      ILE  45   0.474   8.482  -3.089
  318   HG22  ILE  45          2HG2      ILE  45   0.634   7.307  -1.783
  319   HG23  ILE  45          3HG2      ILE  45  -0.420   8.707  -1.586
  320   HD11  ILE  45          3HD1      ILE  45  -0.672   4.653  -1.786
  321   HD12  ILE  45          1HD1      ILE  45  -1.579   4.870  -0.290
  322   HD13  ILE  45          2HD1      ILE  45  -0.175   5.883  -0.625
  323    H    CYS  46           H        CYS  46  -2.217   7.443  -6.028
  324    HA   CYS  46           HA       CYS  46  -0.209   9.466  -6.791
  325    HB2  CYS  46           2HB      CYS  46  -0.879   6.854  -8.163
  326    HB3  CYS  46           3HB      CYS  46   0.397   7.971  -8.629
  327    H    CYS  47           H        CYS  47  -3.448   8.801  -7.020
  328    HA   CYS  47           HA       CYS  47  -5.120   9.001  -8.544
  329    HB2  CYS  47           2HB      CYS  47  -5.343  11.224  -9.528
  330    HB3  CYS  47           3HB      CYS  47  -4.815  11.329  -7.857
  331    HG   CYS  47           HG       CYS  47  -2.054  11.365  -9.404
  332    H    SER  48           H        SER  48  -3.044   7.382  -9.470
  333    HA   SER  48           HA       SER  48  -3.245   7.791 -12.361
  334    HB2  SER  48           2HB      SER  48  -0.993   8.531 -11.562
  335    HB3  SER  48           3HB      SER  48  -0.717   6.905 -10.942
  336    HG   SER  48           HG       SER  48  -1.443   7.275 -13.641
  337    H    GLU  49           H        GLU  49  -2.784   5.777 -13.566
  338    HA   GLU  49           HA       GLU  49  -4.415   3.724 -12.366
  339    HB2  GLU  49           2HB      GLU  49  -4.415   2.774 -14.663
  340    HB3  GLU  49           3HB      GLU  49  -4.970   4.440 -14.584
  341    HG2  GLU  49           2HG      GLU  49  -2.415   4.918 -15.106
  342    HG3  GLU  49           3HG      GLU  49  -2.527   3.307 -15.809
  343    H    TYR  50           H        TYR  50  -3.899   1.406 -12.986
  344    HA   TYR  50           HA       TYR  50  -1.160   0.796 -12.162
  345    HB2  TYR  50           2HB      TYR  50  -3.685  -0.864 -12.232
  346    HB3  TYR  50           3HB      TYR  50  -2.101  -1.552 -11.894
  347    HD1  TYR  50           HD2      TYR  50  -4.684   0.774 -10.646
  348    HD2  TYR  50           HD1      TYR  50  -1.085  -1.308  -9.760
  349    HE1  TYR  50           HE2      TYR  50  -4.938   1.359  -8.273
  350    HE2  TYR  50           HE1      TYR  50  -1.331  -0.733  -7.383
  351    HH   TYR  50           HH       TYR  50  -4.200   0.529  -6.079
  352    H    VAL  51           H        VAL  51   0.281   0.148 -13.601
  353    HA   VAL  51           HA       VAL  51  -0.602  -1.311 -15.978
  354    HB   VAL  51           HB       VAL  51   1.060  -0.079 -17.370
  355   HG11  VAL  51          1HG1      VAL  51  -1.301   0.481 -17.506
  356   HG12  VAL  51          2HG1      VAL  51  -0.308   1.926 -17.704
  357   HG13  VAL  51          3HG1      VAL  51  -1.124   1.619 -16.170
  358   HG21  VAL  51          3HG2      VAL  51   1.171   1.788 -15.003
  359   HG22  VAL  51          1HG2      VAL  51   1.864   2.111 -16.592
  360   HG23  VAL  51          2HG2      VAL  51   2.490   0.786 -15.609
  361    H    LYS  52           H        LYS  52   1.260  -2.382 -17.085
  362    HA   LYS  52           HA       LYS  52   2.669  -4.007 -15.310
  363    HB2  LYS  52           2HB      LYS  52   2.184  -4.722 -17.576
  364    HB3  LYS  52           3HB      LYS  52   3.178  -3.428 -18.234
  365    HG2  LYS  52           2HG      LYS  52   5.162  -4.451 -17.229
  366    HG3  LYS  52           3HG      LYS  52   4.160  -5.755 -16.593
  367    HD2  LYS  52           2HD      LYS  52   5.326  -6.395 -18.662
  368    HD3  LYS  52           3HD      LYS  52   3.572  -6.442 -18.841
  369    HE2  LYS  52           2HE      LYS  52   3.605  -4.295 -19.978
  370    HE3  LYS  52           3HE      LYS  52   5.344  -4.166 -19.727
  371    HZ1  LYS  52           3HZ      LYS  52   4.085  -6.368 -21.263
  372    HZ2  LYS  52           1HZ      LYS  52   5.733  -5.969 -21.183
  373    HZ3  LYS  52           2HZ      LYS  52   4.645  -4.937 -21.983
  374    H    GLY  53           H        GLY  53   4.438  -3.678 -14.155
  375    HA2  GLY  53           2HA      GLY  53   6.866  -3.133 -14.433
  376    HA3  GLY  53           3HA      GLY  53   6.321  -1.587 -15.062
  377    H    ASP  54           H        ASP  54   4.112  -1.615 -12.978
  378    HA   ASP  54           HA       ASP  54   5.725  -0.333 -10.924
  379    HB2  ASP  54           2HB      ASP  54   3.418   0.466 -11.965
  380    HB3  ASP  54           3HB      ASP  54   2.749  -0.560 -10.701
  381    H    VAL  55           H        VAL  55   5.192  -0.752  -8.610
  382    HA   VAL  55           HA       VAL  55   4.898  -3.657  -8.195
  383    HB   VAL  55           HB       VAL  55   6.422  -1.682  -6.479
  384   HG11  VAL  55          1HG1      VAL  55   6.216  -4.688  -6.302
  385   HG12  VAL  55          2HG1      VAL  55   5.498  -3.527  -5.185
  386   HG13  VAL  55          3HG1      VAL  55   7.252  -3.665  -5.304
  387   HG21  VAL  55          3HG2      VAL  55   8.439  -2.802  -7.295
  388   HG22  VAL  55          1HG2      VAL  55   7.537  -2.063  -8.618
  389   HG23  VAL  55          2HG2      VAL  55   7.454  -3.806  -8.360
  390    H    ALA  56           H        ALA  56   3.018  -4.171  -7.323
  391    HA   ALA  56           HA       ALA  56   1.671  -2.246  -5.570
  392    HB1  ALA  56           3HB      ALA  56  -0.341  -3.571  -5.932
  393    HB2  ALA  56           1HB      ALA  56   0.581  -4.732  -6.887
  394    HB3  ALA  56           2HB      ALA  56   0.370  -3.079  -7.468
  395    H    THR  57           H        THR  57   0.461  -3.243  -3.720
  396    HA   THR  57           HA       THR  57   1.487  -5.752  -2.713
  397    HB   THR  57           HB       THR  57   3.126  -4.001  -1.926
  398    HG1  THR  57           HG1      THR  57   2.706  -5.976  -0.762
  399   HG21  THR  57          3HG2      THR  57   1.582  -2.145  -1.595
  400   HG22  THR  57          1HG2      THR  57   2.425  -2.521  -0.094
  401   HG23  THR  57          2HG2      THR  57   0.754  -3.039  -0.320
  402    H    GLU  58           H        GLU  58   0.334  -6.291  -0.617
  403    HA   GLU  58           HA       GLU  58  -2.378  -5.146  -0.674
  404    HB2  GLU  58           2HB      GLU  58  -2.363  -7.423  -1.587
  405    HB3  GLU  58           3HB      GLU  58  -1.585  -8.012  -0.123
  406    HG2  GLU  58           2HG      GLU  58  -3.614  -7.092   1.117
  407    HG3  GLU  58           3HG      GLU  58  -4.375  -6.976  -0.469
  408    H    LEU  59           H        LEU  59  -2.774  -4.054   1.136
  409    HA   LEU  59           HA       LEU  59  -1.451  -4.564   3.608
  410    HB2  LEU  59           2HB      LEU  59  -4.007  -3.066   2.998
  411    HB3  LEU  59           3HB      LEU  59  -3.235  -3.099   4.572
  412    HG   LEU  59           HG       LEU  59  -2.040  -1.942   2.051
  413   HD11  LEU  59          1HD1      LEU  59  -2.311   0.201   3.177
  414   HD12  LEU  59          2HD1      LEU  59  -3.096  -0.604   4.535
  415   HD13  LEU  59          3HD1      LEU  59  -3.865  -0.598   2.948
  416   HD21  LEU  59          3HD2      LEU  59  -0.992  -1.974   4.878
  417   HD22  LEU  59          1HD2      LEU  59  -0.255  -1.145   3.507
  418   HD23  LEU  59          2HD2      LEU  59  -0.347  -2.906   3.526
  419    HA   PRO  60           HA       PRO  60  -3.408  -8.209   5.019
  420    HB2  PRO  60           2HB      PRO  60  -3.819  -7.472   7.688
  421    HB3  PRO  60           3HB      PRO  60  -2.368  -8.226   7.023
  422    HG2  PRO  60           2HG      PRO  60  -2.927  -5.356   7.596
  423    HG3  PRO  60           3HG      PRO  60  -1.412  -6.263   7.762
  424    HD2  PRO  60           2HD      PRO  60  -1.798  -4.573   5.729
  425    HD3  PRO  60           3HD      PRO  60  -0.927  -6.104   5.495
  426    H    CYS  61           H        CYS  61  -5.023  -5.160   5.512
  427    HA   CYS  61           HA       CYS  61  -7.544  -6.401   6.225
  428    HB2  CYS  61           2HB      CYS  61  -8.421  -4.131   6.290
  429    HB3  CYS  61           3HB      CYS  61  -6.901  -4.207   7.173
  430    H    HIS  62           H        HIS  62  -6.053  -6.769   3.607
  431    HA   HIS  62           HA       HIS  62  -6.490  -7.135   1.436
  432    HB2  HIS  62           2HB      HIS  62  -9.301  -7.219   2.514
  433    HB3  HIS  62           3HB      HIS  62  -8.935  -7.529   0.819
  434    HD1  HIS  62           HD1      HIS  62  -8.342  -9.886   0.236
  435    HD2  HIS  62           HD2      HIS  62  -7.908  -9.109   4.305
  436    HE1  HIS  62           HE1      HIS  62  -7.774 -12.091   1.295
  437    HE2  HIS  62           HE2      HIS  62  -7.381 -11.577   3.727
  438    H    HIS  63           H        HIS  63  -5.651  -4.836   1.435
  439    HA   HIS  63           HA       HIS  63  -7.326  -3.434  -0.485
  440    HB2  HIS  63           2HB      HIS  63  -6.463  -2.286   2.129
  441    HB3  HIS  63           3HB      HIS  63  -6.390  -1.237   0.716
  442    HD2  HIS  63           HD2      HIS  63  -9.202  -2.117  -0.701
  443    HE1  HIS  63           HE1      HIS  63 -10.967  -0.949   2.967
  444    HE2  HIS  63           HE2      HIS  63 -11.375  -1.512   0.552
  445    H    TYR  64           H        TYR  64  -6.163  -2.944  -2.212
  446    HA   TYR  64           HA       TYR  64  -3.305  -3.482  -2.079
  447    HB2  TYR  64           2HB      TYR  64  -5.156  -3.228  -4.455
  448    HB3  TYR  64           3HB      TYR  64  -3.455  -3.669  -4.535
  449    HD1  TYR  64           HD1      TYR  64  -6.821  -4.807  -3.626
  450    HD2  TYR  64           HD2      TYR  64  -2.709  -5.866  -3.848
  451    HE1  TYR  64           HE1      TYR  64  -7.422  -7.175  -3.351
  452    HE2  TYR  64           HE2      TYR  64  -3.297  -8.236  -3.574
  453    HH   TYR  64           HH       TYR  64  -5.249  -9.530  -2.513
  454    H    PHE  65           H        PHE  65  -1.760  -2.098  -2.649
  455    HA   PHE  65           HA       PHE  65  -2.367   0.410  -3.991
  456    HB2  PHE  65           2HB      PHE  65  -0.940   0.311  -1.310
  457    HB3  PHE  65           3HB      PHE  65  -1.024   1.726  -2.350
  458    HD1  PHE  65           HD2      PHE  65  -3.240   2.805  -2.758
  459    HD2  PHE  65           HD1      PHE  65  -2.677  -0.216   0.185
  460    HE1  PHE  65           HE2      PHE  65  -5.327   3.495  -1.657
  461    HE2  PHE  65           HE1      PHE  65  -4.767   0.468   1.291
  462    HZ   PHE  65           HZ       PHE  65  -6.092   2.325   0.370
  463    H    HIS  66           H        HIS  66  -0.112   1.532  -4.434
  464    HA   HIS  66           HA       HIS  66   1.760  -0.473  -5.327
  465    HB2  HIS  66           2HB      HIS  66   2.080   2.531  -5.192
  466    HB3  HIS  66           3HB      HIS  66   3.229   1.427  -5.935
  467    HD2  HIS  66           HD2      HIS  66   1.437  -0.229  -7.966
  468    HE1  HIS  66           HE1      HIS  66  -0.009   3.540  -9.287
  469    HE2  HIS  66           HE2      HIS  66   0.482   1.157  -9.935
  470    H    LYS  67           H        LYS  67   3.558  -1.169  -4.259
  471    HA   LYS  67           HA       LYS  67   3.728  -0.809  -1.496
  472    HB2  LYS  67           2HB      LYS  67   4.683  -2.763  -2.618
  473    HB3  LYS  67           3HB      LYS  67   5.907  -1.747  -3.368
  474    HG2  LYS  67           2HG      LYS  67   6.889  -1.250  -1.239
  475    HG3  LYS  67           3HG      LYS  67   5.582  -2.080  -0.394
  476    HD2  LYS  67           2HD      LYS  67   6.273  -4.199  -1.358
  477    HD3  LYS  67           3HD      LYS  67   7.537  -3.385  -2.285
  478    HE2  LYS  67           2HE      LYS  67   8.630  -2.703  -0.217
  479    HE3  LYS  67           3HE      LYS  67   7.351  -3.465   0.726
  480    HZ1  LYS  67           3HZ      LYS  67   9.474  -4.771   0.436
  481    HZ2  LYS  67           1HZ      LYS  67   9.030  -4.984  -1.190
  482    HZ3  LYS  67           2HZ      LYS  67   8.041  -5.587   0.047
  483    HA   PRO  68           HA       PRO  68   7.540   2.242  -2.501
  484    HB2  PRO  68           2HB      PRO  68   6.705   3.813  -4.689
  485    HB3  PRO  68           3HB      PRO  68   8.037   2.657  -4.662
  486    HG2  PRO  68           2HG      PRO  68   5.245   2.310  -5.627
  487    HG3  PRO  68           3HG      PRO  68   6.749   1.611  -6.254
  488    HD2  PRO  68           2HD      PRO  68   5.040   0.134  -4.836
  489    HD3  PRO  68           3HD      PRO  68   6.796  -0.051  -4.620
  490    H    CYS  69           H        CYS  69   4.212   3.187  -3.476
  491    HA   CYS  69           HA       CYS  69   4.541   5.719  -2.142
  492    HB2  CYS  69           2HB      CYS  69   2.164   6.134  -2.812
  493    HB3  CYS  69           3HB      CYS  69   3.264   5.811  -4.142
  494    H    VAL  70           H        VAL  70   2.956   2.662  -1.413
  495    HA   VAL  70           HA       VAL  70   1.471   3.747   0.780
  496    HB   VAL  70           HB       VAL  70   0.885   1.625  -0.502
  497   HG11  VAL  70          1HG1      VAL  70   1.796  -0.477   0.376
  498   HG12  VAL  70          2HG1      VAL  70   2.954   0.441   1.338
  499   HG13  VAL  70          3HG1      VAL  70   3.026   0.505  -0.423
  500   HG21  VAL  70          3HG2      VAL  70  -0.136   0.569   1.447
  501   HG22  VAL  70          1HG2      VAL  70  -0.297   2.325   1.502
  502   HG23  VAL  70          2HG2      VAL  70   0.906   1.516   2.508
  503    H    SER  71           H        SER  71   4.657   2.357   0.387
  504    HA   SER  71           HA       SER  71   5.231   1.835   3.092
  505    HB2  SER  71           2HB      SER  71   7.136   2.638   0.880
  506    HB3  SER  71           3HB      SER  71   7.596   1.905   2.417
  507    HG   SER  71           HG       SER  71   6.091   0.760   0.306
  508    H    ILE  72           H        ILE  72   5.353   4.761   1.182
  509    HA   ILE  72           HA       ILE  72   6.651   6.303   3.239
  510    HB   ILE  72           HB       ILE  72   5.163   7.236   0.776
  511   HG12  ILE  72          2HG1      ILE  72   8.136   6.870   1.223
  512   HG13  ILE  72          3HG1      ILE  72   7.117   5.762   0.312
  513   HG21  ILE  72          1HG2      ILE  72   7.090   8.703   2.578
  514   HG22  ILE  72          2HG2      ILE  72   5.350   8.978   2.474
  515   HG23  ILE  72          3HG2      ILE  72   6.384   9.336   1.091
  516   HD11  ILE  72          3HD1      ILE  72   8.350   7.204  -1.179
  517   HD12  ILE  72          1HD1      ILE  72   7.691   8.633  -0.382
  518   HD13  ILE  72          2HD1      ILE  72   6.625   7.556  -1.285
  519    H    TRP  73           H        TRP  73   3.366   5.859   2.020
  520    HA   TRP  73           HA       TRP  73   2.125   7.835   3.589
  521    HB2  TRP  73           2HB      TRP  73   1.048   6.859   1.628
  522    HB3  TRP  73           3HB      TRP  73   0.982   5.289   2.423
  523    HD1  TRP  73           HD1      TRP  73  -0.985   4.850   4.087
  524    HE1  TRP  73           HE1      TRP  73  -3.086   6.173   4.750
  525    HE3  TRP  73           HE3      TRP  73   0.206   9.349   1.975
  526    HZ2  TRP  73           HZ2      TRP  73  -4.107   8.785   4.414
  527    HZ3  TRP  73           HZ3      TRP  73  -1.388  11.210   2.192
  528    HH2  TRP  73           HH2      TRP  73  -3.501  10.934   3.387
  529    H    LEU  74           H        LEU  74   2.662   4.371   4.176
  530    HA   LEU  74           HA       LEU  74   1.157   4.266   6.570
  531    HB2  LEU  74           2HB      LEU  74   3.371   2.485   5.559
  532    HB3  LEU  74           3HB      LEU  74   2.396   2.132   6.972
  533    HG   LEU  74           HG       LEU  74   1.319   2.432   4.168
  534   HD11  LEU  74          1HD1      LEU  74   1.787  -0.044   5.820
  535   HD12  LEU  74          2HD1      LEU  74   2.706   0.440   4.395
  536   HD13  LEU  74          3HD1      LEU  74   1.001   0.015   4.243
  537   HD21  LEU  74          3HD2      LEU  74  -0.743   1.526   5.127
  538   HD22  LEU  74          1HD2      LEU  74  -0.297   3.058   5.879
  539   HD23  LEU  74          2HD2      LEU  74  -0.003   1.541   6.728
  540    H    GLN  75           H        GLN  75   4.394   5.327   5.914
  541    HA   GLN  75           HA       GLN  75   5.074   5.310   8.750
  542    HB2  GLN  75           2HB      GLN  75   6.651   6.124   6.307
  543    HB3  GLN  75           3HB      GLN  75   7.257   6.266   7.950
  544    HG2  GLN  75           2HG      GLN  75   7.009   3.838   8.230
  545    HG3  GLN  75           3HG      GLN  75   6.466   3.719   6.556
  546   HE21  GLN  75          1HE2      GLN  75   7.935   4.056   4.895
  547   HE22  GLN  75          2HE2      GLN  75   9.644   3.995   5.156
  548    H    LYS  76           H        LYS  76   3.263   7.202   6.849
  549    HA   LYS  76           HA       LYS  76   4.122   9.687   8.168
  550    HB2  LYS  76           2HB      LYS  76   4.371   9.828   5.766
  551    HB3  LYS  76           3HB      LYS  76   2.720   9.284   5.524
  552    HG2  LYS  76           2HG      LYS  76   1.824  11.315   6.303
  553    HG3  LYS  76           3HG      LYS  76   3.370  11.822   6.987
  554    HD2  LYS  76           2HD      LYS  76   2.836  13.001   4.891
  555    HD3  LYS  76           3HD      LYS  76   4.315  12.048   4.768
  556    HE2  LYS  76           2HE      LYS  76   3.058  10.269   3.635
  557    HE3  LYS  76           3HE      LYS  76   1.591  11.243   3.741
  558    HZ1  LYS  76           3HZ      LYS  76   2.735  11.380   1.566
  559    HZ2  LYS  76           1HZ      LYS  76   4.065  12.099   2.334
  560    HZ3  LYS  76           2HZ      LYS  76   2.563  12.887   2.326
  561    H    SER  77           H        SER  77   1.288   7.784   7.188
  562    HA   SER  77           HA       SER  77  -0.269   9.299   9.181
  563    HB2  SER  77           2HB      SER  77  -1.295   8.020   6.640
  564    HB3  SER  77           3HB      SER  77  -2.254   8.933   7.806
  565    HG   SER  77           HG       SER  77  -0.247  10.482   7.195
  566    H    GLY  78           H        GLY  78   0.757   6.200   8.101
  567    HA2  GLY  78           2HA      GLY  78   0.541   4.103   8.991
  568    HA3  GLY  78           3HA      GLY  78   0.132   4.912  10.490
  569    H    THR  79           H        THR  79  -1.855   5.287   7.630
  570    HA   THR  79           HA       THR  79  -3.809   3.409   8.735
  571    HB   THR  79           HB       THR  79  -5.488   5.375   7.959
  572    HG1  THR  79           HG1      THR  79  -3.258   6.709   9.148
  573   HG21  THR  79          3HG2      THR  79  -4.209   5.076  10.676
  574   HG22  THR  79          1HG2      THR  79  -5.610   4.192  10.072
  575   HG23  THR  79          2HG2      THR  79  -5.717   5.930  10.351
  576    H    CYS  80           H        CYS  80  -5.152   2.459   7.283
  577    HA   CYS  80           HA       CYS  80  -4.421   2.494   4.511
  578    HB2  CYS  80           2HB      CYS  80  -5.304   0.510   5.821
  579    HB3  CYS  80           3HB      CYS  80  -6.879   1.272   5.787
  580    HA   PRO  81           HA       PRO  81  -6.615   6.330   3.832
  581    HB2  PRO  81           2HB      PRO  81  -6.501   5.383   1.007
  582    HB3  PRO  81           3HB      PRO  81  -6.043   6.946   1.691
  583    HG2  PRO  81           2HG      PRO  81  -4.187   5.171   1.006
  584    HG3  PRO  81           3HG      PRO  81  -4.005   6.163   2.464
  585    HD2  PRO  81           2HD      PRO  81  -4.731   3.285   2.203
  586    HD3  PRO  81           3HD      PRO  81  -3.795   4.106   3.468
  587    H    VAL  82           H        VAL  82  -7.719   3.298   2.413
  588    HA   VAL  82           HA       VAL  82 -10.224   4.422   1.548
  589    HB   VAL  82           HB       VAL  82  -9.371   1.524   1.581
  590   HG11  VAL  82          1HG1      VAL  82 -11.082   1.222  -0.137
  591   HG12  VAL  82          2HG1      VAL  82 -11.539   2.918   0.015
  592   HG13  VAL  82          3HG1      VAL  82 -11.785   1.813   1.368
  593   HG21  VAL  82          3HG2      VAL  82  -8.766   1.851  -0.764
  594   HG22  VAL  82          1HG2      VAL  82  -7.817   2.896   0.291
  595   HG23  VAL  82          2HG2      VAL  82  -9.160   3.565  -0.631
  596    H    CYS  83           H        CYS  83  -9.115   2.700   4.394
  597    HA   CYS  83           HA       CYS  83 -11.927   2.468   5.241
  598    HB2  CYS  83           2HB      CYS  83 -11.411   0.363   6.385
  599    HB3  CYS  83           3HB      CYS  83 -11.091   0.245   4.659
  600    H    ARG  84           H        ARG  84  -8.814   3.585   5.965
  601    HA   ARG  84           HA       ARG  84  -7.997   4.859   7.630
  602    HB2  ARG  84           2HB      ARG  84 -10.863   4.879   8.589
  603    HB3  ARG  84           3HB      ARG  84  -9.581   5.880   9.259
  604    HG2  ARG  84           2HG      ARG  84  -9.321   7.046   7.188
  605    HG3  ARG  84           3HG      ARG  84 -10.430   5.941   6.375
  606    HD2  ARG  84           2HD      ARG  84 -11.127   7.843   8.607
  607    HD3  ARG  84           3HD      ARG  84 -11.522   8.056   6.902
  608    HE   ARG  84           HE       ARG  84 -12.678   6.040   8.709
  609   HH11  ARG  84          1HH1      ARG  84 -12.687   7.743   5.643
  610   HH12  ARG  84          2HH1      ARG  84 -14.286   7.212   5.207
  611   HH21  ARG  84          1HH2      ARG  84 -14.760   5.306   8.125
  612   HH22  ARG  84          2HH2      ARG  84 -15.474   5.830   6.623
  613    H    CYS  85           H        CYS  85  -8.373   1.888   7.824
  614    HA   CYS  85           HA       CYS  85  -8.226   1.425  10.674
  615    HB2  CYS  85           2HB      CYS  85  -9.189  -0.253   9.062
  616    HB3  CYS  85           3HB      CYS  85  -7.572  -0.473   8.404
  617    HG   CYS  85           HG       CYS  85  -7.880  -2.671   9.952
  618    H    MET  86           H        MET  86  -6.329   0.840  11.775
  619    HA   MET  86           HA       MET  86  -4.032   2.295  10.878
  620    HB2  MET  86           2HB      MET  86  -4.773   2.225  13.247
  621    HB3  MET  86           3HB      MET  86  -4.352   0.520  13.307
  622    HG2  MET  86           2HG      MET  86  -2.007   1.108  12.837
  623    HG3  MET  86           3HG      MET  86  -2.455   2.813  12.852
  624    HE1  MET  86           3HE      MET  86  -3.694  -0.149  15.137
  625    HE2  MET  86           1HE      MET  86  -2.625   0.032  16.529
  626    HE3  MET  86           2HE      MET  86  -1.963  -0.442  14.965
  627    H    PHE  87           H        PHE  87  -1.983   1.522  10.424
  628    HA   PHE  87           HA       PHE  87  -1.625  -1.393  10.326
  629    HB2  PHE  87           2HB      PHE  87  -1.864  -0.549   8.014
  630    HB3  PHE  87           3HB      PHE  87  -0.552   0.591   8.297
  631    HD1  PHE  87           HD1      PHE  87  -1.404  -2.976   7.971
  632    HD2  PHE  87           HD2      PHE  87   1.719  -0.094   8.170
  633    HE1  PHE  87           HE1      PHE  87   0.215  -4.684   7.258
  634    HE2  PHE  87           HE2      PHE  87   3.345  -1.796   7.454
  635    HZ   PHE  87           HZ       PHE  87   2.593  -4.097   6.996
  636    HA   PRO  88           HA       PRO  88   0.057  -2.979  10.614
  637    HB2  PRO  88           2HB      PRO  88   0.416  -3.985  13.140
  638    HB3  PRO  88           3HB      PRO  88   1.708  -3.824  11.947
  639    HG2  PRO  88           2HG      PRO  88   0.991  -2.012  14.218
  640    HG3  PRO  88           3HG      PRO  88   2.594  -2.554  13.683
  641    HD2  PRO  88           2HD      PRO  88   1.659  -0.120  13.057
  642    HD3  PRO  88           3HD      PRO  88   2.643  -1.053  11.910
  643    HA   PRO  89           HA       PRO  89  -4.187  -3.022  11.589
  644    HB2  PRO  89           2HB      PRO  89  -3.912  -5.907  12.230
  645    HB3  PRO  89           3HB      PRO  89  -4.963  -5.108  11.057
  646    HG2  PRO  89           2HG      PRO  89  -2.802  -6.467  10.280
  647    HG3  PRO  89           3HG      PRO  89  -3.304  -4.979   9.458
  648    HD2  PRO  89           2HD      PRO  89  -1.076  -5.423  11.386
  649    HD3  PRO  89           3HD      PRO  89  -1.156  -4.345   9.979
  650    HA   PRO  90           HA       PRO  90  -4.364  -2.782  16.028
  651    HB2  PRO  90           2HB      PRO  90  -7.233  -2.395  15.779
  652    HB3  PRO  90           3HB      PRO  90  -5.996  -1.236  16.268
  653    HG2  PRO  90           2HG      PRO  90  -7.362  -1.074  13.923
  654    HG3  PRO  90           3HG      PRO  90  -5.724  -0.436  14.145
  655    HD2  PRO  90           2HD      PRO  90  -6.616  -2.969  12.830
  656    HD3  PRO  90           3HD      PRO  90  -5.308  -1.856  12.372
  657    H    LEU  91           H        LEU  91  -5.979  -3.620  17.757
  658    HA   LEU  91           HA       LEU  91  -6.639  -6.402  17.059
  659    HB2  LEU  91           2HB      LEU  91  -5.533  -5.386  19.681
  660    HB3  LEU  91           3HB      LEU  91  -5.934  -7.052  19.308
  661    HG   LEU  91           HG       LEU  91  -3.749  -5.433  17.989
  662   HD11  LEU  91          1HD1      LEU  91  -3.584  -7.744  19.914
  663   HD12  LEU  91          2HD1      LEU  91  -3.255  -6.057  20.305
  664   HD13  LEU  91          3HD1      LEU  91  -2.226  -6.912  19.156
  665   HD21  LEU  91          3HD2      LEU  91  -4.765  -7.050  16.464
  666   HD22  LEU  91          1HD2      LEU  91  -4.511  -8.331  17.648
  667   HD23  LEU  91          2HD2      LEU  91  -3.126  -7.525  16.908
  Start of MODEL    2
    1    H1   MET   1           1H       MET   1  23.263   3.400  -2.266
    2    H2   MET   1           2H       MET   1  23.071   3.322  -0.583
    3    H3   MET   1           3H       MET   1  24.008   4.557  -1.274
    4    HA   MET   1           HA       MET   1  22.105   5.518  -2.313
    5    HB2  MET   1           2HB      MET   1  20.838   3.475  -2.724
    6    HB3  MET   1           3HB      MET   1  20.614   3.237  -0.996
    7    HG2  MET   1           2HG      MET   1  18.608   4.121  -2.083
    8    HG3  MET   1           3HG      MET   1  19.243   5.217  -0.858
    9    HE1  MET   1           3HE      MET   1  17.107   6.031  -3.122
   10    HE2  MET   1           1HE      MET   1  17.719   7.626  -3.558
   11    HE3  MET   1           2HE      MET   1  17.686   7.127  -1.866
   12    H    GLY   2           H        GLY   2  22.433   7.287  -1.114
   13    HA2  GLY   2           2HA      GLY   2  21.536   7.190   1.704
   14    HA3  GLY   2           3HA      GLY   2  22.827   8.236   1.125
   15    H    HIS   3           H        HIS   3  19.651   8.164   1.998
   16    HA   HIS   3           HA       HIS   3  19.178  10.738   0.732
   17    HB2  HIS   3           2HB      HIS   3  17.128  10.175  -0.319
   18    HB3  HIS   3           3HB      HIS   3  18.266   8.931  -0.809
   19    HD1  HIS   3           HD1      HIS   3  18.058   6.810   1.269
   20    HD2  HIS   3           HD2      HIS   3  14.747   9.025   0.065
   21    HE1  HIS   3           HE1      HIS   3  16.058   5.394   1.811
   22    HE2  HIS   3           HE2      HIS   3  14.090   6.662   0.888
   23    H    HIS   4           H        HIS   4  17.718  12.045   1.848
   24    HA   HIS   4           HA       HIS   4  16.857  10.935   4.440
   25    HB2  HIS   4           2HB      HIS   4  17.142  13.042   5.472
   26    HB3  HIS   4           3HB      HIS   4  18.567  12.832   4.469
   27    HD1  HIS   4           HD1      HIS   4  16.375  15.363   5.440
   28    HD2  HIS   4           HD2      HIS   4  17.951  14.222   1.758
   29    HE1  HIS   4           HE1      HIS   4  16.172  17.385   3.955
   30    HE2  HIS   4           HE2      HIS   4  17.170  16.692   1.744
   31    H    HIS   5           H        HIS   5  14.776  11.470   5.224
   32    HA   HIS   5           HA       HIS   5  12.939  12.407   3.121
   33    HB2  HIS   5           2HB      HIS   5  11.343  10.585   3.855
   34    HB3  HIS   5           3HB      HIS   5  12.764  10.036   2.975
   35    HD1  HIS   5           HD1      HIS   5  11.120   9.862   6.324
   36    HD2  HIS   5           HD2      HIS   5  14.584   8.514   4.472
   37    HE1  HIS   5           HE1      HIS   5  12.102   8.156   7.889
   38    HE2  HIS   5           HE2      HIS   5  14.292   7.486   6.822
   39    H    HIS   6           H        HIS   6  10.968  13.290   3.839
   40    HA   HIS   6           HA       HIS   6  11.085  14.602   6.372
   41    HB2  HIS   6           2HB      HIS   6   9.012  14.430   4.205
   42    HB3  HIS   6           3HB      HIS   6   8.618  15.161   5.755
   43    HD1  HIS   6           HD1      HIS   6   9.654  16.106   2.522
   44    HD2  HIS   6           HD2      HIS   6  10.743  17.273   6.363
   45    HE1  HIS   6           HE1      HIS   6  10.695  18.382   2.271
   46    HE2  HIS   6           HE2      HIS   6  11.133  19.154   4.631
   47    H    HIS   7           H        HIS   7   9.943  14.231   8.216
   48    HA   HIS   7           HA       HIS   7   8.039  12.033   8.337
   49    HB2  HIS   7           2HB      HIS   7  10.423  11.139   8.768
   50    HB3  HIS   7           3HB      HIS   7  10.358  12.049  10.273
   51    HD1  HIS   7           HD1      HIS   7   9.282  10.910  12.221
   52    HD2  HIS   7           HD2      HIS   7   8.353   9.084   8.600
   53    HE1  HIS   7           HE1      HIS   7   8.024   8.812  12.816
   54    HE2  HIS   7           HE2      HIS   7   7.390   7.777  10.611
   55    H    HIS   8           H        HIS   8   8.222  14.973   8.624
   56    HA   HIS   8           HA       HIS   8   8.059  15.879  11.242
   57    HB2  HIS   8           2HB      HIS   8   8.183  17.303   9.202
   58    HB3  HIS   8           3HB      HIS   8   6.506  16.905   8.854
   59    HD1  HIS   8           HD1      HIS   8   8.553  18.598  11.565
   60    HD2  HIS   8           HD2      HIS   8   4.706  18.606   9.983
   61    HE1  HIS   8           HE1      HIS   8   7.364  20.513  12.683
   62    HE2  HIS   8           HE2      HIS   8   5.094  20.605  11.587
   63    H    SER   9           H        SER   9   6.838  14.907  12.744
   64    HA   SER   9           HA       SER   9   4.149  14.000  12.018
   65    HB2  SER   9           2HB      SER   9   5.706  13.383  14.537
   66    HB3  SER   9           3HB      SER   9   4.261  12.563  13.945
   67    HG   SER   9           HG       SER   9   6.358  12.624  12.154
   68    H    HIS  10           H        HIS  10   2.808  15.711  12.223
   69    HA   HIS  10           HA       HIS  10   2.446  16.718  14.941
   70    HB2  HIS  10           2HB      HIS  10   3.787  18.425  13.725
   71    HB3  HIS  10           3HB      HIS  10   2.508  18.537  12.518
   72    HD1  HIS  10           HD1      HIS  10   3.434  19.611  15.951
   73    HD2  HIS  10           HD2      HIS  10   0.153  19.850  13.403
   74    HE1  HIS  10           HE1      HIS  10   1.884  21.299  16.991
   75    HE2  HIS  10           HE2      HIS  10  -0.204  21.202  15.579
   76    H    MET  11           H        MET  11   0.440  16.355  15.504
   77    HA   MET  11           HA       MET  11  -1.789  16.029  15.479
   78    HB2  MET  11           2HB      MET  11  -1.867  18.294  14.482
   79    HB3  MET  11           3HB      MET  11  -1.767  17.575  12.880
   80    HG2  MET  11           2HG      MET  11  -3.898  16.499  13.179
   81    HG3  MET  11           3HG      MET  11  -3.985  17.056  14.849
   82    HE1  MET  11           3HE      MET  11  -4.372  19.532  15.575
   83    HE2  MET  11           1HE      MET  11  -4.444  20.895  14.458
   84    HE3  MET  11           2HE      MET  11  -2.929  20.020  14.687
   85    H    VAL  12           H        VAL  12  -0.801  13.849  15.071
   86    HA   VAL  12           HA       VAL  12  -2.151  12.686  12.729
   87    HB   VAL  12           HB       VAL  12  -0.392  10.836  12.839
   88   HG11  VAL  12          1HG1      VAL  12   1.209  12.103  11.464
   89   HG12  VAL  12          2HG1      VAL  12   0.445  13.604  11.984
   90   HG13  VAL  12          3HG1      VAL  12  -0.465  12.438  11.021
   91   HG21  VAL  12          3HG2      VAL  12   1.813  11.484  13.727
   92   HG22  VAL  12          1HG2      VAL  12   0.594  11.374  14.998
   93   HG23  VAL  12          2HG2      VAL  12   1.099  12.952  14.393
   94    H    ALA  13           H        ALA  13  -3.875  11.697  13.466
   95    HA   ALA  13           HA       ALA  13  -4.214  10.918  16.166
   96    HB1  ALA  13           3HB      ALA  13  -5.890  10.209  13.761
   97    HB2  ALA  13           1HB      ALA  13  -6.077  11.650  14.762
   98    HB3  ALA  13           2HB      ALA  13  -6.376  10.054  15.449
   99    H    ASN  14           H        ASN  14  -3.644   9.075  13.190
  100    HA   ASN  14           HA       ASN  14  -3.398   6.639  14.815
  101    HB2  ASN  14           2HB      ASN  14  -4.990   6.744  12.800
  102    HB3  ASN  14           3HB      ASN  14  -3.539   6.742  11.803
  103   HD21  ASN  14          1HD2      ASN  14  -3.915   4.778  10.871
  104   HD22  ASN  14          2HD2      ASN  14  -3.828   3.288  11.748
  105    HA   PRO  15           HA       PRO  15   0.994   7.177  14.500
  106    HB2  PRO  15           2HB      PRO  15   1.652   4.611  15.262
  107    HB3  PRO  15           3HB      PRO  15   1.260   5.920  16.381
  108    HG2  PRO  15           2HG      PRO  15  -0.483   3.717  15.356
  109    HG3  PRO  15           3HG      PRO  15  -0.366   4.386  16.996
  110    HD2  PRO  15           2HD      PRO  15  -2.377   5.052  15.358
  111    HD3  PRO  15           3HD      PRO  15  -1.654   6.239  16.465
  112    HA   PRO  16           HA       PRO  16   2.191   5.623  10.524
  113    HB2  PRO  16           2HB      PRO  16   4.927   5.489  11.646
  114    HB3  PRO  16           3HB      PRO  16   4.325   6.397  10.256
  115    HG2  PRO  16           2HG      PRO  16   4.955   7.636  12.536
  116    HG3  PRO  16           3HG      PRO  16   3.564   8.152  11.563
  117    HD2  PRO  16           2HD      PRO  16   3.624   6.513  14.067
  118    HD3  PRO  16           3HD      PRO  16   2.502   7.805  13.594
  119    H    ALA  17           H        ALA  17   3.265   3.786   9.511
  120    HA   ALA  17           HA       ALA  17   2.842   1.378  11.079
  121    HB1  ALA  17           3HB      ALA  17   1.945   1.572   8.782
  122    HB2  ALA  17           1HB      ALA  17   3.020   0.188   8.989
  123    HB3  ALA  17           2HB      ALA  17   3.598   1.640   8.175
  124    H    SER  18           H        SER  18   4.386  -0.303  11.236
  125    HA   SER  18           HA       SER  18   7.018   0.606  11.810
  126    HB2  SER  18           2HB      SER  18   5.963  -2.229  11.638
  127    HB3  SER  18           3HB      SER  18   7.446  -1.712  12.443
  128    HG   SER  18           HG       SER  18   6.033  -0.338  13.762
  129    H    LYS  19           H        LYS  19   8.894   0.342  10.694
  130    HA   LYS  19           HA       LYS  19   8.823   0.280   7.898
  131    HB2  LYS  19           2HB      LYS  19  10.637   1.304   9.244
  132    HB3  LYS  19           3HB      LYS  19  11.176  -0.304   9.710
  133    HG2  LYS  19           2HG      LYS  19  11.614  -0.813   7.343
  134    HG3  LYS  19           3HG      LYS  19  11.148   0.836   6.925
  135    HD2  LYS  19           2HD      LYS  19  13.363   1.218   7.120
  136    HD3  LYS  19           3HD      LYS  19  12.969   1.334   8.833
  137    HE2  LYS  19           2HE      LYS  19  13.698  -1.300   7.616
  138    HE3  LYS  19           3HE      LYS  19  14.951  -0.157   8.080
  139    HZ1  LYS  19           3HZ      LYS  19  12.894  -1.321   9.892
  140    HZ2  LYS  19           1HZ      LYS  19  14.068  -0.178  10.339
  141    HZ3  LYS  19           2HZ      LYS  19  14.537  -1.727   9.837
  142    H    GLU  20           H        GLU  20   9.627  -2.183  10.253
  143    HA   GLU  20           HA       GLU  20  10.540  -4.232   8.669
  144    HB2  GLU  20           2HB      GLU  20   8.638  -4.869  10.889
  145    HB3  GLU  20           3HB      GLU  20  10.143  -5.662  10.454
  146    HG2  GLU  20           2HG      GLU  20   9.780  -3.063  11.913
  147    HG3  GLU  20           3HG      GLU  20  10.491  -4.557  12.516
  148    H    SER  21           H        SER  21   7.170  -3.450   9.450
  149    HA   SER  21           HA       SER  21   6.034  -5.607   8.016
  150    HB2  SER  21           2HB      SER  21   4.740  -2.953   8.676
  151    HB3  SER  21           3HB      SER  21   3.927  -4.488   8.371
  152    HG   SER  21           HG       SER  21   4.619  -5.256  10.296
  153    H    ILE  22           H        ILE  22   6.715  -2.234   7.203
  154    HA   ILE  22           HA       ILE  22   5.444  -2.164   4.697
  155    HB   ILE  22           HB       ILE  22   7.875  -0.594   5.581
  156   HG12  ILE  22          2HG1      ILE  22   4.944   0.142   5.779
  157   HG13  ILE  22          3HG1      ILE  22   5.926  -0.416   7.130
  158   HG21  ILE  22          1HG2      ILE  22   7.144   1.058   3.933
  159   HG22  ILE  22          2HG2      ILE  22   5.829  -0.010   3.446
  160   HG23  ILE  22          3HG2      ILE  22   7.502  -0.494   3.176
  161   HD11  ILE  22          3HD1      ILE  22   7.384   1.542   6.847
  162   HD12  ILE  22          1HD1      ILE  22   5.711   1.983   7.188
  163   HD13  ILE  22          2HD1      ILE  22   6.338   2.107   5.544
  164    H    ASP  23           H        ASP  23   8.727  -3.041   5.647
  165    HA   ASP  23           HA       ASP  23   9.753  -3.358   3.028
  166    HB2  ASP  23           2HB      ASP  23  11.184  -3.080   5.017
  167    HB3  ASP  23           3HB      ASP  23  10.664  -4.653   5.608
  168    H    ALA  24           H        ALA  24   8.277  -5.597   5.324
  169    HA   ALA  24           HA       ALA  24   8.774  -7.889   3.637
  170    HB1  ALA  24           3HB      ALA  24   7.747  -9.177   5.418
  171    HB2  ALA  24           1HB      ALA  24   7.221  -7.690   6.211
  172    HB3  ALA  24           2HB      ALA  24   8.940  -8.055   6.074
  173    H    LEU  25           H        LEU  25   6.563  -5.515   3.376
  174    HA   LEU  25           HA       LEU  25   4.098  -6.781   3.063
  175    HB2  LEU  25           2HB      LEU  25   5.311  -4.375   1.732
  176    HB3  LEU  25           3HB      LEU  25   3.699  -4.928   1.321
  177    HG   LEU  25           HG       LEU  25   4.603  -4.050   4.066
  178   HD11  LEU  25          1HD1      LEU  25   2.825  -2.701   2.036
  179   HD12  LEU  25          2HD1      LEU  25   4.443  -2.184   2.513
  180   HD13  LEU  25          3HD1      LEU  25   3.122  -2.136   3.680
  181   HD21  LEU  25          3HD2      LEU  25   2.235  -4.214   4.651
  182   HD22  LEU  25          1HD2      LEU  25   2.887  -5.779   4.166
  183   HD23  LEU  25          2HD2      LEU  25   1.880  -4.858   3.049
  184    HA   PRO  26           HA       PRO  26   4.833  -9.599  -0.294
  185    HB2  PRO  26           2HB      PRO  26   2.178  -9.866  -1.016
  186    HB3  PRO  26           3HB      PRO  26   2.965 -10.776   0.278
  187    HG2  PRO  26           2HG      PRO  26   1.266  -8.320   0.447
  188    HG3  PRO  26           3HG      PRO  26   1.281  -9.746   1.500
  189    HD2  PRO  26           2HD      PRO  26   2.461  -7.468   2.245
  190    HD3  PRO  26           3HD      PRO  26   3.185  -9.043   2.634
  191    H    GLU  27           H        GLU  27   5.418  -9.171  -2.312
  192    HA   GLU  27           HA       GLU  27   4.489  -6.640  -3.455
  193    HB2  GLU  27           2HB      GLU  27   6.905  -8.289  -4.220
  194    HB3  GLU  27           3HB      GLU  27   6.553  -6.632  -4.707
  195    HG2  GLU  27           2HG      GLU  27   6.794  -5.869  -2.434
  196    HG3  GLU  27           3HG      GLU  27   7.010  -7.523  -1.873
  197    H    ILE  28           H        ILE  28   3.039  -6.713  -4.984
  198    HA   ILE  28           HA       ILE  28   2.738  -9.169  -6.571
  199    HB   ILE  28           HB       ILE  28   0.754  -6.926  -6.134
  200   HG12  ILE  28          2HG1      ILE  28   0.796  -9.728  -4.988
  201   HG13  ILE  28          3HG1      ILE  28   1.212  -8.269  -4.098
  202   HG21  ILE  28          1HG2      ILE  28   0.428  -9.604  -7.487
  203   HG22  ILE  28          2HG2      ILE  28   0.444  -8.029  -8.281
  204   HG23  ILE  28          3HG2      ILE  28  -0.866  -8.446  -7.176
  205   HD11  ILE  28          3HD1      ILE  28  -1.480  -8.900  -5.286
  206   HD12  ILE  28          1HD1      ILE  28  -1.063  -7.444  -4.383
  207   HD13  ILE  28          2HD1      ILE  28  -1.038  -9.015  -3.581
  208    H    LEU  29           H        LEU  29   3.171  -9.125  -8.679
  209    HA   LEU  29           HA       LEU  29   4.141  -6.685  -9.868
  210    HB2  LEU  29           2HB      LEU  29   5.282  -8.840 -10.241
  211    HB3  LEU  29           3HB      LEU  29   3.850  -9.448 -11.049
  212    HG   LEU  29           HG       LEU  29   4.127  -7.777 -12.823
  213   HD11  LEU  29          1HD1      LEU  29   6.611  -6.991 -11.310
  214   HD12  LEU  29          2HD1      LEU  29   5.167  -6.004 -11.540
  215   HD13  LEU  29          3HD1      LEU  29   6.175  -6.430 -12.924
  216   HD21  LEU  29          3HD2      LEU  29   6.626  -9.377 -12.281
  217   HD22  LEU  29          1HD2      LEU  29   6.143  -8.709 -13.841
  218   HD23  LEU  29          2HD2      LEU  29   5.168  -9.967 -13.081
  219    H    VAL  30           H        VAL  30   2.918  -5.304 -10.932
  220    HA   VAL  30           HA       VAL  30   0.215  -6.058 -11.687
  221    HB   VAL  30           HB       VAL  30   1.594  -3.368 -11.695
  222   HG11  VAL  30          1HG1      VAL  30  -1.294  -4.062 -12.213
  223   HG12  VAL  30          2HG1      VAL  30  -0.142  -3.434 -13.393
  224   HG13  VAL  30          3HG1      VAL  30  -0.650  -2.430 -12.033
  225   HG21  VAL  30          3HG2      VAL  30   1.219  -4.293  -9.462
  226   HG22  VAL  30          1HG2      VAL  30  -0.489  -4.515  -9.841
  227   HG23  VAL  30          2HG2      VAL  30   0.194  -2.890  -9.762
  228    H    THR  31           H        THR  31  -0.401  -6.492 -13.666
  229    HA   THR  31           HA       THR  31   1.117  -5.482 -15.957
  230    HB   THR  31           HB       THR  31   0.685  -7.736 -17.075
  231    HG1  THR  31           HG1      THR  31   0.023  -9.386 -15.873
  232   HG21  THR  31          3HG2      THR  31   2.611  -7.649 -14.749
  233   HG22  THR  31          1HG2      THR  31   2.920  -7.039 -16.377
  234   HG23  THR  31          2HG2      THR  31   2.691  -8.768 -16.110
  235    H    GLU  32           H        GLU  32  -0.239  -5.961 -18.046
  236    HA   GLU  32           HA       GLU  32  -2.722  -4.682 -17.803
  237    HB2  GLU  32           2HB      GLU  32  -1.866  -6.511 -20.055
  238    HB3  GLU  32           3HB      GLU  32  -3.091  -5.255 -20.130
  239    HG2  GLU  32           2HG      GLU  32  -1.425  -4.074 -21.049
  240    HG3  GLU  32           3HG      GLU  32  -0.991  -3.781 -19.365
  241    H    ASP  33           H        ASP  33  -4.716  -5.375 -17.373
  242    HA   ASP  33           HA       ASP  33  -6.477  -6.681 -16.828
  243    HB2  ASP  33           2HB      ASP  33  -4.985  -8.552 -18.612
  244    HB3  ASP  33           3HB      ASP  33  -6.309  -9.189 -17.640
  245    H    HIS  34           H        HIS  34  -3.679  -6.756 -15.458
  246    HA   HIS  34           HA       HIS  34  -4.624  -8.447 -13.260
  247    HB2  HIS  34           2HB      HIS  34  -2.853  -9.625 -14.744
  248    HB3  HIS  34           3HB      HIS  34  -1.717  -8.449 -14.098
  249    HD1  HIS  34           HD1      HIS  34  -3.663 -11.493 -13.189
  250    HD2  HIS  34           HD2      HIS  34  -0.996  -8.853 -11.397
  251    HE1  HIS  34           HE1      HIS  34  -2.952 -12.597 -11.048
  252    HE2  HIS  34           HE2      HIS  34  -1.554 -10.869  -9.871
  253    H    GLY  35           H        GLY  35  -4.816  -5.691 -13.704
  254    HA2  GLY  35           2HA      GLY  35  -2.536  -4.441 -12.385
  255    HA3  GLY  35           3HA      GLY  35  -3.818  -3.614 -13.250
  256    H    ALA  36           H        ALA  36  -6.093  -4.350 -12.062
  257    HA   ALA  36           HA       ALA  36  -6.154  -2.625  -9.875
  258    HB1  ALA  36           3HB      ALA  36  -8.123  -3.159 -11.228
  259    HB2  ALA  36           1HB      ALA  36  -8.436  -3.394  -9.509
  260    HB3  ALA  36           2HB      ALA  36  -8.146  -4.787 -10.551
  261    H    VAL  37           H        VAL  37  -6.650  -6.144  -9.784
  262    HA   VAL  37           HA       VAL  37  -6.180  -7.728  -8.233
  263    HB   VAL  37           HB       VAL  37  -4.079  -5.783  -7.252
  264   HG11  VAL  37          1HG1      VAL  37  -4.518  -7.590  -5.674
  265   HG12  VAL  37          2HG1      VAL  37  -2.927  -7.761  -6.416
  266   HG13  VAL  37          3HG1      VAL  37  -4.266  -8.777  -6.955
  267   HG21  VAL  37          3HG2      VAL  37  -3.771  -6.184  -9.612
  268   HG22  VAL  37          1HG2      VAL  37  -3.915  -7.925  -9.370
  269   HG23  VAL  37          2HG2      VAL  37  -2.533  -7.052  -8.705
  270    H    GLY  38           H        GLY  38  -8.156  -7.609  -7.145
  271    HA2  GLY  38           2HA      GLY  38  -8.942  -7.833  -4.906
  272    HA3  GLY  38           3HA      GLY  38  -7.840  -6.555  -4.423
  273    H    GLN  39           H        GLN  39  -8.412  -4.355  -4.873
  274    HA   GLN  39           HA       GLN  39 -11.235  -3.939  -5.522
  275    HB2  GLN  39           2HB      GLN  39 -11.161  -4.313  -3.097
  276    HB3  GLN  39           3HB      GLN  39  -9.977  -3.022  -2.930
  277    HG2  GLN  39           2HG      GLN  39 -11.614  -1.412  -3.751
  278    HG3  GLN  39           3HG      GLN  39 -12.799  -2.704  -3.925
  279   HE21  GLN  39          1HE2      GLN  39 -11.005  -0.730  -1.691
  280   HE22  GLN  39          2HE2      GLN  39 -12.014  -1.047  -0.310
  281    H    GLU  40           H        GLU  40  -8.276  -2.279  -4.418
  282    HA   GLU  40           HA       GLU  40  -9.004   0.235  -5.499
  283    HB2  GLU  40           2HB      GLU  40  -6.405  -0.930  -4.532
  284    HB3  GLU  40           3HB      GLU  40  -6.471   0.671  -5.249
  285    HG2  GLU  40           2HG      GLU  40  -6.522   0.824  -2.842
  286    HG3  GLU  40           3HG      GLU  40  -8.048   1.380  -3.518
  287    H    MET  41           H        MET  41  -9.353   0.504  -7.618
  288    HA   MET  41           HA       MET  41  -7.838  -0.995  -9.583
  289    HB2  MET  41           2HB      MET  41  -9.330  -0.121 -11.219
  290    HB3  MET  41           3HB      MET  41 -10.308  -0.494  -9.809
  291    HG2  MET  41           2HG      MET  41  -9.295   2.251 -10.503
  292    HG3  MET  41           3HG      MET  41 -10.891   1.637 -10.922
  293    HE1  MET  41           3HE      MET  41 -12.692   1.332  -7.535
  294    HE2  MET  41           1HE      MET  41 -11.924   0.069  -8.497
  295    HE3  MET  41           2HE      MET  41 -12.852   1.343  -9.291
  296    H    CYS  42           H        CYS  42  -7.643   2.007  -8.017
  297    HA   CYS  42           HA       CYS  42  -5.450   2.808  -9.779
  298    HB2  CYS  42           2HB      CYS  42  -7.624   4.667  -8.778
  299    HB3  CYS  42           3HB      CYS  42  -6.172   5.173  -9.631
  300    HG   CYS  42           HG       CYS  42  -7.322   5.138 -11.920
  301    H    CYS  43           H        CYS  43  -3.960   4.302  -8.727
  302    HA   CYS  43           HA       CYS  43  -3.897   3.871  -5.817
  303    HB2  CYS  43           2HB      CYS  43  -1.976   2.948  -7.009
  304    HB3  CYS  43           3HB      CYS  43  -1.673   4.500  -7.776
  305    HA   PRO  44           HA       PRO  44  -5.219   8.184  -5.956
  306    HB2  PRO  44           2HB      PRO  44  -5.175   7.915  -3.032
  307    HB3  PRO  44           3HB      PRO  44  -6.520   8.324  -4.095
  308    HG2  PRO  44           2HG      PRO  44  -6.289   5.950  -2.810
  309    HG3  PRO  44           3HG      PRO  44  -7.141   6.144  -4.348
  310    HD2  PRO  44           2HD      PRO  44  -4.486   4.953  -3.784
  311    HD3  PRO  44           3HD      PRO  44  -5.645   4.572  -5.071
  312    H    ILE  45           H        ILE  45  -2.666   6.756  -4.074
  313    HA   ILE  45           HA       ILE  45  -1.549   9.055  -2.952
  314    HB   ILE  45           HB       ILE  45  -0.077   6.529  -3.716
  315   HG12  ILE  45          2HG1      ILE  45  -1.557   7.198  -1.160
  316   HG13  ILE  45          3HG1      ILE  45  -2.125   6.076  -2.391
  317   HG21  ILE  45          1HG2      ILE  45   1.390   7.118  -1.833
  318   HG22  ILE  45          2HG2      ILE  45   0.485   8.616  -1.612
  319   HG23  ILE  45          3HG2      ILE  45   1.405   8.353  -3.092
  320   HD11  ILE  45          3HD1      ILE  45  -0.206   4.635  -1.964
  321   HD12  ILE  45          1HD1      ILE  45  -1.149   4.908  -0.499
  322   HD13  ILE  45          2HD1      ILE  45   0.374   5.765  -0.741
  323    H    CYS  46           H        CYS  46  -1.223   7.694  -6.174
  324    HA   CYS  46           HA       CYS  46   0.685   9.851  -6.798
  325    HB2  CYS  46           2HB      CYS  46   1.645   8.404  -8.557
  326    HB3  CYS  46           3HB      CYS  46   1.843   7.727  -6.947
  327    H    CYS  47           H        CYS  47  -2.400   9.055  -7.126
  328    HA   CYS  47           HA       CYS  47  -4.086   9.324  -8.621
  329    HB2  CYS  47           2HB      CYS  47  -2.290  11.584  -9.523
  330    HB3  CYS  47           3HB      CYS  47  -3.990  11.413  -9.949
  331    HG   CYS  47           HG       CYS  47  -4.783  12.832  -7.973
  332    H    SER  48           H        SER  48  -3.055   7.217  -9.446
  333    HA   SER  48           HA       SER  48  -3.122   7.334 -12.312
  334    HB2  SER  48           2HB      SER  48  -0.715   7.806 -11.778
  335    HB3  SER  48           3HB      SER  48  -0.633   6.234 -10.982
  336    HG   SER  48           HG       SER  48   0.032   6.435 -13.307
  337    H    GLU  49           H        GLU  49  -3.412   5.251 -13.238
  338    HA   GLU  49           HA       GLU  49  -4.785   3.422 -11.506
  339    HB2  GLU  49           2HB      GLU  49  -5.204   2.165 -13.609
  340    HB3  GLU  49           3HB      GLU  49  -5.674   3.855 -13.718
  341    HG2  GLU  49           2HG      GLU  49  -3.595   4.355 -14.905
  342    HG3  GLU  49           3HG      GLU  49  -3.143   2.653 -14.813
  343    H    TYR  50           H        TYR  50  -4.302   0.961 -12.363
  344    HA   TYR  50           HA       TYR  50  -1.537   0.480 -11.550
  345    HB2  TYR  50           2HB      TYR  50  -4.016  -1.217 -11.562
  346    HB3  TYR  50           3HB      TYR  50  -2.420  -1.942 -11.406
  347    HD1  TYR  50           HD2      TYR  50  -4.644   0.605  -9.848
  348    HD2  TYR  50           HD1      TYR  50  -1.399  -2.086  -9.331
  349    HE1  TYR  50           HE2      TYR  50  -4.659   1.059  -7.433
  350    HE2  TYR  50           HE1      TYR  50  -1.403  -1.641  -6.913
  351    HH   TYR  50           HH       TYR  50  -3.901  -0.200  -5.313
  352    H    VAL  51           H        VAL  51  -0.173   0.423 -13.184
  353    HA   VAL  51           HA       VAL  51  -0.968  -0.986 -15.647
  354    HB   VAL  51           HB       VAL  51   0.634   0.470 -16.864
  355   HG11  VAL  51          1HG1      VAL  51  -1.547   1.928 -15.379
  356   HG12  VAL  51          2HG1      VAL  51  -1.731   1.015 -16.877
  357   HG13  VAL  51          3HG1      VAL  51  -0.764   2.490 -16.854
  358   HG21  VAL  51          3HG2      VAL  51   2.083   1.081 -15.001
  359   HG22  VAL  51          1HG2      VAL  51   0.769   1.990 -14.259
  360   HG23  VAL  51          2HG2      VAL  51   1.451   2.523 -15.797
  361    H    LYS  52           H        LYS  52   0.872  -1.886 -16.872
  362    HA   LYS  52           HA       LYS  52   2.356  -3.653 -15.272
  363    HB2  LYS  52           2HB      LYS  52   1.692  -4.205 -17.552
  364    HB3  LYS  52           3HB      LYS  52   2.698  -2.910 -18.183
  365    HG2  LYS  52           2HG      LYS  52   4.696  -4.053 -17.437
  366    HG3  LYS  52           3HG      LYS  52   3.719  -5.324 -16.697
  367    HD2  LYS  52           2HD      LYS  52   4.564  -6.067 -18.848
  368    HD3  LYS  52           3HD      LYS  52   2.809  -5.888 -18.915
  369    HE2  LYS  52           2HE      LYS  52   3.250  -3.563 -19.855
  370    HE3  LYS  52           3HE      LYS  52   4.920  -4.085 -20.069
  371    HZ1  LYS  52           3HZ      LYS  52   3.754  -4.447 -22.097
  372    HZ2  LYS  52           1HZ      LYS  52   2.499  -5.269 -21.307
  373    HZ3  LYS  52           2HZ      LYS  52   4.039  -5.970 -21.404
  374    H    GLY  53           H        GLY  53   3.996  -3.130 -14.023
  375    HA2  GLY  53           2HA      GLY  53   6.454  -2.504 -14.342
  376    HA3  GLY  53           3HA      GLY  53   5.800  -0.960 -14.879
  377    H    ASP  54           H        ASP  54   3.615  -1.025 -12.945
  378    HA   ASP  54           HA       ASP  54   5.100   0.034 -10.690
  379    HB2  ASP  54           2HB      ASP  54   2.536   0.510 -11.862
  380    HB3  ASP  54           3HB      ASP  54   2.304   0.066 -10.175
  381    H    VAL  55           H        VAL  55   5.314  -0.902  -8.742
  382    HA   VAL  55           HA       VAL  55   4.458  -3.663  -8.488
  383    HB   VAL  55           HB       VAL  55   6.101  -1.989  -6.578
  384   HG11  VAL  55          1HG1      VAL  55   5.700  -4.974  -6.745
  385   HG12  VAL  55          2HG1      VAL  55   5.070  -3.905  -5.491
  386   HG13  VAL  55          3HG1      VAL  55   6.809  -4.147  -5.652
  387   HG21  VAL  55          3HG2      VAL  55   7.197  -2.181  -8.743
  388   HG22  VAL  55          1HG2      VAL  55   6.991  -3.931  -8.708
  389   HG23  VAL  55          2HG2      VAL  55   8.042  -3.143  -7.530
  390    H    ALA  56           H        ALA  56   2.743  -4.326  -7.378
  391    HA   ALA  56           HA       ALA  56   1.383  -2.419  -5.599
  392    HB1  ALA  56           3HB      ALA  56   0.013  -3.377  -7.397
  393    HB2  ALA  56           1HB      ALA  56  -0.576  -3.862  -5.807
  394    HB3  ALA  56           2HB      ALA  56   0.348  -4.998  -6.789
  395    H    THR  57           H        THR  57   0.335  -3.466  -3.650
  396    HA   THR  57           HA       THR  57   1.692  -5.838  -2.669
  397    HB   THR  57           HB       THR  57   3.115  -3.896  -1.964
  398    HG1  THR  57           HG1      THR  57   2.861  -5.902  -0.724
  399   HG21  THR  57          3HG2      THR  57   0.697  -3.161  -0.308
  400   HG22  THR  57          1HG2      THR  57   1.361  -2.225  -1.646
  401   HG23  THR  57          2HG2      THR  57   2.300  -2.438  -0.167
  402    H    GLU  58           H        GLU  58   0.605  -6.801  -0.864
  403    HA   GLU  58           HA       GLU  58  -2.185  -5.908  -0.638
  404    HB2  GLU  58           2HB      GLU  58  -1.896  -8.187  -1.548
  405    HB3  GLU  58           3HB      GLU  58  -1.027  -8.651  -0.088
  406    HG2  GLU  58           2HG      GLU  58  -3.078  -8.062   1.219
  407    HG3  GLU  58           3HG      GLU  58  -3.918  -7.840  -0.313
  408    H    LEU  59           H        LEU  59  -2.611  -4.858   1.148
  409    HA   LEU  59           HA       LEU  59  -1.087  -5.240   3.570
  410    HB2  LEU  59           2HB      LEU  59  -3.662  -3.714   3.105
  411    HB3  LEU  59           3HB      LEU  59  -2.653  -3.613   4.534
  412    HG   LEU  59           HG       LEU  59  -1.776  -2.757   1.773
  413   HD11  LEU  59          1HD1      LEU  59  -2.048  -0.473   2.610
  414   HD12  LEU  59          2HD1      LEU  59  -2.725  -1.104   4.112
  415   HD13  LEU  59          3HD1      LEU  59  -3.582  -1.341   2.588
  416   HD21  LEU  59          3HD2      LEU  59  -0.537  -2.353   4.492
  417   HD22  LEU  59          1HD2      LEU  59   0.059  -1.676   2.978
  418   HD23  LEU  59          2HD2      LEU  59   0.066  -3.423   3.224
  419    HA   PRO  60           HA       PRO  60  -3.548  -8.608   5.207
  420    HB2  PRO  60           2HB      PRO  60  -3.281  -7.938   7.883
  421    HB3  PRO  60           3HB      PRO  60  -2.118  -8.891   6.957
  422    HG2  PRO  60           2HG      PRO  60  -2.074  -5.980   7.630
  423    HG3  PRO  60           3HG      PRO  60  -0.738  -7.143   7.601
  424    HD2  PRO  60           2HD      PRO  60  -1.094  -5.380   5.619
  425    HD3  PRO  60           3HD      PRO  60  -0.536  -7.035   5.289
  426    H    CYS  61           H        CYS  61  -4.213  -5.329   5.467
  427    HA   CYS  61           HA       CYS  61  -6.780  -5.602   6.784
  428    HB2  CYS  61           2HB      CYS  61  -5.416  -3.603   7.169
  429    HB3  CYS  61           3HB      CYS  61  -5.406  -3.256   5.446
  430    H    HIS  62           H        HIS  62  -5.966  -6.884   4.131
  431    HA   HIS  62           HA       HIS  62  -6.965  -7.508   2.197
  432    HB2  HIS  62           2HB      HIS  62  -9.407  -6.370   3.575
  433    HB3  HIS  62           3HB      HIS  62  -9.460  -7.301   2.084
  434    HD1  HIS  62           HD1      HIS  62  -8.757  -9.852   2.270
  435    HD2  HIS  62           HD2      HIS  62  -9.258  -7.852   5.887
  436    HE1  HIS  62           HE1      HIS  62  -8.948 -11.650   4.023
  437    HE2  HIS  62           HE2      HIS  62  -9.437 -10.417   6.165
  438    H    HIS  63           H        HIS  63  -5.611  -5.085   2.060
  439    HA   HIS  63           HA       HIS  63  -7.163  -3.723  -0.006
  440    HB2  HIS  63           2HB      HIS  63  -6.084  -2.462   2.478
  441    HB3  HIS  63           3HB      HIS  63  -6.087  -1.527   0.983
  442    HD2  HIS  63           HD2      HIS  63  -8.930  -2.274  -0.233
  443    HE1  HIS  63           HE1      HIS  63 -10.556  -1.139   3.501
  444    HE2  HIS  63           HE2      HIS  63 -11.061  -1.857   1.157
  445    H    TYR  64           H        TYR  64  -5.913  -2.563  -1.559
  446    HA   TYR  64           HA       TYR  64  -3.146  -3.584  -1.679
  447    HB2  TYR  64           2HB      TYR  64  -5.146  -3.465  -3.945
  448    HB3  TYR  64           3HB      TYR  64  -3.476  -4.001  -4.077
  449    HD1  TYR  64           HD1      TYR  64  -6.754  -4.817  -2.542
  450    HD2  TYR  64           HD2      TYR  64  -2.878  -6.224  -3.582
  451    HE1  TYR  64           HE1      TYR  64  -7.459  -7.114  -2.025
  452    HE2  TYR  64           HE2      TYR  64  -3.572  -8.524  -3.065
  453    HH   TYR  64           HH       TYR  64  -5.258  -9.663  -1.667
  454    H    PHE  65           H        PHE  65  -1.631  -2.170  -2.271
  455    HA   PHE  65           HA       PHE  65  -2.343   0.222  -3.769
  456    HB2  PHE  65           2HB      PHE  65  -0.999   0.322  -1.054
  457    HB3  PHE  65           3HB      PHE  65  -1.057   1.676  -2.177
  458    HD1  PHE  65           HD2      PHE  65  -3.308   2.617  -2.818
  459    HD2  PHE  65           HD1      PHE  65  -2.779  -0.118   0.401
  460    HE1  PHE  65           HE2      PHE  65  -5.485   3.292  -1.891
  461    HE2  PHE  65           HE1      PHE  65  -4.953   0.555   1.335
  462    HZ   PHE  65           HZ       PHE  65  -6.309   2.260   0.187
  463    H    HIS  66           H        HIS  66  -0.403   1.342  -4.589
  464    HA   HIS  66           HA       HIS  66   1.649  -0.432  -5.431
  465    HB2  HIS  66           2HB      HIS  66   1.475   2.585  -5.479
  466    HB3  HIS  66           3HB      HIS  66   2.854   1.700  -6.114
  467    HD2  HIS  66           HD2      HIS  66   1.048  -0.598  -7.746
  468    HE1  HIS  66           HE1      HIS  66  -0.365   2.808  -9.854
  469    HE2  HIS  66           HE2      HIS  66   0.018   0.321  -9.932
  470    H    LYS  67           H        LYS  67   3.390  -1.099  -4.349
  471    HA   LYS  67           HA       LYS  67   3.805  -0.472  -1.666
  472    HB2  LYS  67           2HB      LYS  67   4.555  -2.566  -2.788
  473    HB3  LYS  67           3HB      LYS  67   5.851  -1.654  -3.550
  474    HG2  LYS  67           2HG      LYS  67   6.892  -1.222  -1.454
  475    HG3  LYS  67           3HG      LYS  67   5.502  -1.855  -0.568
  476    HD2  LYS  67           2HD      LYS  67   5.935  -4.082  -1.556
  477    HD3  LYS  67           3HD      LYS  67   7.373  -3.427  -2.342
  478    HE2  LYS  67           2HE      LYS  67   8.355  -2.920  -0.180
  479    HE3  LYS  67           3HE      LYS  67   6.897  -3.478   0.638
  480    HZ1  LYS  67           3HZ      LYS  67   7.301  -5.701  -0.165
  481    HZ2  LYS  67           1HZ      LYS  67   8.680  -5.144   0.650
  482    HZ3  LYS  67           2HZ      LYS  67   8.656  -5.187  -1.049
  483    HA   PRO  68           HA       PRO  68   7.568   2.362  -3.153
  484    HB2  PRO  68           2HB      PRO  68   6.911   3.631  -5.537
  485    HB3  PRO  68           3HB      PRO  68   8.078   2.318  -5.362
  486    HG2  PRO  68           2HG      PRO  68   5.220   2.214  -6.229
  487    HG3  PRO  68           3HG      PRO  68   6.616   1.305  -6.840
  488    HD2  PRO  68           2HD      PRO  68   4.841   0.162  -5.205
  489    HD3  PRO  68           3HD      PRO  68   6.576  -0.194  -5.066
  490    H    CYS  69           H        CYS  69   4.170   2.896  -3.820
  491    HA   CYS  69           HA       CYS  69   4.295   5.713  -3.179
  492    HB2  CYS  69           2HB      CYS  69   1.851   3.973  -3.555
  493    HB3  CYS  69           3HB      CYS  69   1.912   5.732  -3.593
  494    H    VAL  70           H        VAL  70   2.851   2.797  -1.753
  495    HA   VAL  70           HA       VAL  70   1.657   4.168   0.415
  496    HB   VAL  70           HB       VAL  70   0.925   1.951  -0.532
  497   HG11  VAL  70          1HG1      VAL  70   1.930  -0.081   0.394
  498   HG12  VAL  70          2HG1      VAL  70   3.188   0.895   1.151
  499   HG13  VAL  70          3HG1      VAL  70   3.068   0.824  -0.605
  500   HG21  VAL  70          3HG2      VAL  70   0.099   1.101   1.582
  501   HG22  VAL  70          1HG2      VAL  70   0.024   2.862   1.553
  502   HG23  VAL  70          2HG2      VAL  70   1.303   2.050   2.454
  503    H    SER  71           H        SER  71   4.821   2.833  -0.067
  504    HA   SER  71           HA       SER  71   5.572   2.481   2.619
  505    HB2  SER  71           2HB      SER  71   7.937   2.821   1.640
  506    HB3  SER  71           3HB      SER  71   6.977   1.469   1.039
  507    HG   SER  71           HG       SER  71   6.671   2.478  -0.837
  508    H    ILE  72           H        ILE  72   5.433   5.332   0.593
  509    HA   ILE  72           HA       ILE  72   6.875   6.993   2.453
  510    HB   ILE  72           HB       ILE  72   5.084   7.792   0.149
  511   HG12  ILE  72          2HG1      ILE  72   8.098   7.516   0.262
  512   HG13  ILE  72          3HG1      ILE  72   7.010   6.388  -0.539
  513   HG21  ILE  72          1HG2      ILE  72   6.246   9.943   0.261
  514   HG22  ILE  72          2HG2      ILE  72   7.152   9.383   1.667
  515   HG23  ILE  72          3HG2      ILE  72   5.404   9.591   1.770
  516   HD11  ILE  72          3HD1      ILE  72   6.319   8.164  -2.075
  517   HD12  ILE  72          1HD1      ILE  72   8.058   7.869  -2.139
  518   HD13  ILE  72          2HD1      ILE  72   7.433   9.274  -1.277
  519    H    TRP  73           H        TRP  73   3.526   6.317   1.642
  520    HA   TRP  73           HA       TRP  73   2.334   8.271   3.289
  521    HB2  TRP  73           2HB      TRP  73   1.022   7.350   1.542
  522    HB3  TRP  73           3HB      TRP  73   1.337   5.701   2.067
  523    HD1  TRP  73           HD1      TRP  73  -0.449   4.617   3.543
  524    HE1  TRP  73           HE1      TRP  73  -2.541   5.428   4.794
  525    HE3  TRP  73           HE3      TRP  73   0.110   9.655   2.859
  526    HZ2  TRP  73           HZ2      TRP  73  -3.794   7.883   5.406
  527    HZ3  TRP  73           HZ3      TRP  73  -1.582  11.166   3.812
  528    HH2  TRP  73           HH2      TRP  73  -3.494  10.297   5.060
  529    H    LEU  74           H        LEU  74   3.153   4.865   3.850
  530    HA   LEU  74           HA       LEU  74   1.874   4.675   6.365
  531    HB2  LEU  74           2HB      LEU  74   4.097   3.044   5.151
  532    HB3  LEU  74           3HB      LEU  74   3.301   2.639   6.659
  533    HG   LEU  74           HG       LEU  74   1.952   2.811   3.968
  534   HD11  LEU  74          1HD1      LEU  74   3.462   0.899   4.150
  535   HD12  LEU  74          2HD1      LEU  74   1.775   0.390   4.127
  536   HD13  LEU  74          3HD1      LEU  74   2.666   0.414   5.648
  537   HD21  LEU  74          3HD2      LEU  74   0.465   3.410   5.818
  538   HD22  LEU  74          1HD2      LEU  74   0.885   1.907   6.638
  539   HD23  LEU  74          2HD2      LEU  74   0.015   1.861   5.104
  540    H    GLN  75           H        GLN  75   4.878   6.056   5.434
  541    HA   GLN  75           HA       GLN  75   6.121   5.951   8.012
  542    HB2  GLN  75           2HB      GLN  75   6.633   7.559   5.520
  543    HB3  GLN  75           3HB      GLN  75   7.519   7.870   7.007
  544    HG2  GLN  75           2HG      GLN  75   8.414   5.637   7.001
  545    HG3  GLN  75           3HG      GLN  75   7.425   5.212   5.603
  546   HE21  GLN  75          1HE2      GLN  75   8.010   5.909   3.591
  547   HE22  GLN  75          2HE2      GLN  75   9.548   6.622   3.250
  548    H    LYS  76           H        LYS  76   3.728   7.890   6.519
  549    HA   LYS  76           HA       LYS  76   3.961  10.029   8.487
  550    HB2  LYS  76           2HB      LYS  76   1.981   9.645   6.226
  551    HB3  LYS  76           3HB      LYS  76   2.142  11.091   7.215
  552    HG2  LYS  76           2HG      LYS  76   4.307  11.547   6.325
  553    HG3  LYS  76           3HG      LYS  76   4.352   9.992   5.493
  554    HD2  LYS  76           2HD      LYS  76   2.469  10.701   4.087
  555    HD3  LYS  76           3HD      LYS  76   2.444  12.260   4.914
  556    HE2  LYS  76           2HE      LYS  76   4.687  12.742   4.126
  557    HE3  LYS  76           3HE      LYS  76   4.781  11.157   3.359
  558    HZ1  LYS  76           3HZ      LYS  76   3.006  11.785   1.866
  559    HZ2  LYS  76           1HZ      LYS  76   4.255  12.928   1.773
  560    HZ3  LYS  76           2HZ      LYS  76   2.834  13.287   2.631
  561    H    SER  77           H        SER  77   1.674   7.531   7.461
  562    HA   SER  77           HA       SER  77   0.781   7.186  10.178
  563    HB2  SER  77           2HB      SER  77  -1.643   7.509   9.573
  564    HB3  SER  77           3HB      SER  77  -0.696   8.998   9.577
  565    HG   SER  77           HG       SER  77  -0.634   7.808   7.148
  566    H    GLY  78           H        GLY  78   0.239   5.095  10.527
  567    HA2  GLY  78           2HA      GLY  78   0.398   3.267   8.274
  568    HA3  GLY  78           3HA      GLY  78   0.285   2.827   9.976
  569    H    THR  79           H        THR  79  -1.553   4.021   7.218
  570    HA   THR  79           HA       THR  79  -3.965   2.721   8.232
  571    HB   THR  79           HB       THR  79  -4.222   5.565   7.316
  572    HG1  THR  79           HG1      THR  79  -2.629   5.186   9.195
  573   HG21  THR  79          3HG2      THR  79  -5.743   3.899   9.315
  574   HG22  THR  79          1HG2      THR  79  -6.223   4.207   7.645
  575   HG23  THR  79          2HG2      THR  79  -6.156   5.537   8.802
  576    H    CYS  80           H        CYS  80  -5.394   2.143   6.527
  577    HA   CYS  80           HA       CYS  80  -4.503   2.505   3.813
  578    HB2  CYS  80           2HB      CYS  80  -7.224   1.652   4.842
  579    HB3  CYS  80           3HB      CYS  80  -6.728   1.613   3.161
  580    HA   PRO  81           HA       PRO  81  -5.974   6.731   3.666
  581    HB2  PRO  81           2HB      PRO  81  -5.754   7.010   0.930
  582    HB3  PRO  81           3HB      PRO  81  -4.427   7.236   2.076
  583    HG2  PRO  81           2HG      PRO  81  -5.108   4.851   0.406
  584    HG3  PRO  81           3HG      PRO  81  -3.517   5.549   0.766
  585    HD2  PRO  81           2HD      PRO  81  -4.403   3.347   2.016
  586    HD3  PRO  81           3HD      PRO  81  -3.427   4.563   2.865
  587    H    VAL  82           H        VAL  82  -7.432   4.015   2.204
  588    HA   VAL  82           HA       VAL  82  -9.704   5.533   1.184
  589    HB   VAL  82           HB       VAL  82  -9.071   2.581   1.002
  590   HG11  VAL  82          1HG1      VAL  82 -11.472   2.925   0.960
  591   HG12  VAL  82          2HG1      VAL  82 -10.892   2.492  -0.649
  592   HG13  VAL  82          3HG1      VAL  82 -11.292   4.168  -0.278
  593   HG21  VAL  82          3HG2      VAL  82  -7.542   3.952  -0.295
  594   HG22  VAL  82          1HG2      VAL  82  -8.899   4.790  -1.051
  595   HG23  VAL  82          2HG2      VAL  82  -8.633   3.074  -1.368
  596    H    CYS  83           H        CYS  83  -9.075   2.884   3.506
  597    HA   CYS  83           HA       CYS  83 -11.873   3.004   4.358
  598    HB2  CYS  83           2HB      CYS  83 -11.499   0.880   5.428
  599    HB3  CYS  83           3HB      CYS  83 -10.804   0.800   3.811
  600    H    ARG  84           H        ARG  84  -8.785   4.026   5.360
  601    HA   ARG  84           HA       ARG  84  -7.948   5.034   7.187
  602    HB2  ARG  84           2HB      ARG  84 -10.848   5.417   7.935
  603    HB3  ARG  84           3HB      ARG  84  -9.488   6.226   8.701
  604    HG2  ARG  84           2HG      ARG  84 -10.422   6.530   5.856
  605    HG3  ARG  84           3HG      ARG  84 -10.497   7.732   7.145
  606    HD2  ARG  84           2HD      ARG  84  -7.984   6.596   5.919
  607    HD3  ARG  84           3HD      ARG  84  -8.660   8.191   5.601
  608    HE   ARG  84           HE       ARG  84  -7.959   7.545   8.368
  609   HH11  ARG  84          1HH1      ARG  84  -7.192   9.230   5.396
  610   HH12  ARG  84          2HH1      ARG  84  -6.046  10.300   6.144
  611   HH21  ARG  84          1HH2      ARG  84  -6.441   8.926   9.362
  612   HH22  ARG  84          2HH2      ARG  84  -5.610  10.115   8.412
  613    H    CYS  85           H        CYS  85  -8.673   2.108   7.232
  614    HA   CYS  85           HA       CYS  85  -8.747   1.664  10.110
  615    HB2  CYS  85           2HB      CYS  85  -9.986   0.128   8.580
  616    HB3  CYS  85           3HB      CYS  85  -8.447  -0.373   7.890
  617    HG   CYS  85           HG       CYS  85  -8.761  -2.470   9.441
  618    H    MET  86           H        MET  86  -7.042   0.486  11.177
  619    HA   MET  86           HA       MET  86  -4.571   1.797  10.576
  620    HB2  MET  86           2HB      MET  86  -5.380   1.658  12.858
  621    HB3  MET  86           3HB      MET  86  -5.345  -0.097  12.795
  622    HG2  MET  86           2HG      MET  86  -2.904  -0.027  12.546
  623    HG3  MET  86           3HG      MET  86  -2.957   1.732  12.651
  624    HE1  MET  86           3HE      MET  86  -3.662  -1.641  14.556
  625    HE2  MET  86           1HE      MET  86  -5.199  -0.782  14.671
  626    HE3  MET  86           2HE      MET  86  -4.225  -1.044  16.117
  627    H    PHE  87           H        PHE  87  -2.626   0.978  10.075
  628    HA   PHE  87           HA       PHE  87  -2.281  -1.932   9.855
  629    HB2  PHE  87           2HB      PHE  87  -2.487  -1.169   7.569
  630    HB3  PHE  87           3HB      PHE  87  -1.386   0.171   7.865
  631    HD1  PHE  87           HD1      PHE  87  -1.542  -3.540   7.788
  632    HD2  PHE  87           HD2      PHE  87   0.885  -0.062   7.456
  633    HE1  PHE  87           HE1      PHE  87   0.357  -4.933   7.076
  634    HE2  PHE  87           HE2      PHE  87   2.785  -1.448   6.743
  635    HZ   PHE  87           HZ       PHE  87   2.524  -3.887   6.553
  636    HA   PRO  88           HA       PRO  88  -0.550  -3.547  10.218
  637    HB2  PRO  88           2HB      PRO  88  -0.179  -3.862  13.143
  638    HB3  PRO  88           3HB      PRO  88   0.514  -4.793  11.811
  639    HG2  PRO  88           2HG      PRO  88   2.008  -3.075  13.193
  640    HG3  PRO  88           3HG      PRO  88   2.207  -3.251  11.438
  641    HD2  PRO  88           2HD      PRO  88   0.793  -1.111  12.981
  642    HD3  PRO  88           3HD      PRO  88   1.843  -0.965  11.556
  643    HA   PRO  89           HA       PRO  89  -4.804  -3.282  11.160
  644    HB2  PRO  89           2HB      PRO  89  -5.520  -5.880  10.806
  645    HB3  PRO  89           3HB      PRO  89  -5.112  -4.802   9.464
  646    HG2  PRO  89           2HG      PRO  89  -3.408  -6.846  10.840
  647    HG3  PRO  89           3HG      PRO  89  -3.586  -6.524   9.104
  648    HD2  PRO  89           2HD      PRO  89  -1.487  -5.605  10.525
  649    HD3  PRO  89           3HD      PRO  89  -2.186  -4.686   9.175
  650    HA   PRO  90           HA       PRO  90  -5.392  -4.491  15.403
  651    HB2  PRO  90           2HB      PRO  90  -8.087  -4.233  15.538
  652    HB3  PRO  90           3HB      PRO  90  -6.996  -2.843  15.497
  653    HG2  PRO  90           2HG      PRO  90  -8.590  -4.065  13.280
  654    HG3  PRO  90           3HG      PRO  90  -8.326  -2.354  13.657
  655    HD2  PRO  90           2HD      PRO  90  -6.961  -3.670  11.709
  656    HD3  PRO  90           3HD      PRO  90  -6.274  -2.313  12.625
  657    H    LEU  91           H        LEU  91  -7.010  -5.989  16.646
  658    HA   LEU  91           HA       LEU  91  -7.139  -8.494  15.116
  659    HB2  LEU  91           2HB      LEU  91  -7.090  -8.021  18.098
  660    HB3  LEU  91           3HB      LEU  91  -7.202  -9.596  17.337
  661    HG   LEU  91           HG       LEU  91  -4.863  -7.698  17.095
  662   HD11  LEU  91          1HD1      LEU  91  -3.671  -9.358  18.440
  663   HD12  LEU  91          2HD1      LEU  91  -5.159 -10.289  18.610
  664   HD13  LEU  91          3HD1      LEU  91  -5.040  -8.679  19.321
  665   HD21  LEU  91          3HD2      LEU  91  -3.747  -9.575  15.984
  666   HD22  LEU  91          1HD2      LEU  91  -5.167  -9.042  15.085
  667   HD23  LEU  91          2HD2      LEU  91  -5.242 -10.508  16.060
  Start of MODEL    3
    1    H1   MET   1           1H       MET   1 -24.705   1.501  33.369
    2    H2   MET   1           2H       MET   1 -24.028   2.435  32.124
    3    H3   MET   1           3H       MET   1 -23.021   1.552  33.162
    4    HA   MET   1           HA       MET   1 -24.017  -0.514  32.348
    5    HB2  MET   1           2HB      MET   1 -25.334   1.404  30.418
    6    HB3  MET   1           3HB      MET   1 -25.209  -0.327  30.132
    7    HG2  MET   1           2HG      MET   1 -26.480  -0.735  32.196
    8    HG3  MET   1           3HG      MET   1 -26.652   1.008  32.411
    9    HE1  MET   1           3HE      MET   1 -29.279   0.740  32.584
   10    HE2  MET   1           1HE      MET   1 -29.117  -1.004  32.376
   11    HE3  MET   1           2HE      MET   1 -30.259  -0.100  31.382
   12    H    GLY   2           H        GLY   2 -23.043  -1.595  30.546
   13    HA2  GLY   2           2HA      GLY   2 -21.528  -1.430  28.625
   14    HA3  GLY   2           3HA      GLY   2 -20.795  -0.041  29.421
   15    H    HIS   3           H        HIS   3 -20.438  -3.260  28.806
   16    HA   HIS   3           HA       HIS   3 -18.936  -3.721  31.291
   17    HB2  HIS   3           2HB      HIS   3 -18.975  -6.153  30.592
   18    HB3  HIS   3           3HB      HIS   3 -20.525  -5.455  31.033
   19    HD1  HIS   3           HD1      HIS   3 -22.373  -5.705  29.395
   20    HD2  HIS   3           HD2      HIS   3 -18.649  -6.461  27.700
   21    HE1  HIS   3           HE1      HIS   3 -22.843  -6.604  27.093
   22    HE2  HIS   3           HE2      HIS   3 -20.586  -7.226  26.163
   23    H    HIS   4           H        HIS   4 -18.068  -2.153  28.952
   24    HA   HIS   4           HA       HIS   4 -15.563  -3.627  28.446
   25    HB2  HIS   4           2HB      HIS   4 -16.916  -1.469  26.814
   26    HB3  HIS   4           3HB      HIS   4 -15.229  -1.910  26.587
   27    HD1  HIS   4           HD1      HIS   4 -14.802  -3.696  24.925
   28    HD2  HIS   4           HD2      HIS   4 -18.708  -3.790  26.367
   29    HE1  HIS   4           HE1      HIS   4 -15.980  -5.473  23.590
   30    HE2  HIS   4           HE2      HIS   4 -18.304  -5.603  24.563
   31    H    HIS   5           H        HIS   5 -14.806  -2.998  30.522
   32    HA   HIS   5           HA       HIS   5 -14.741  -0.156  31.141
   33    HB2  HIS   5           2HB      HIS   5 -13.858  -2.558  32.755
   34    HB3  HIS   5           3HB      HIS   5 -13.846  -0.897  33.338
   35    HD1  HIS   5           HD1      HIS   5 -16.071  -3.809  32.798
   36    HD2  HIS   5           HD2      HIS   5 -16.447   0.213  33.791
   37    HE1  HIS   5           HE1      HIS   5 -18.410  -3.545  33.679
   38    HE2  HIS   5           HE2      HIS   5 -18.660  -1.084  34.162
   39    H    HIS   6           H        HIS   6 -12.748  -2.351  29.569
   40    HA   HIS   6           HA       HIS   6 -10.341  -0.822  30.265
   41    HB2  HIS   6           2HB      HIS   6 -10.694  -3.476  28.876
   42    HB3  HIS   6           3HB      HIS   6  -9.158  -2.622  28.908
   43    HD1  HIS   6           HD1      HIS   6  -9.113  -5.308  30.151
   44    HD2  HIS   6           HD2      HIS   6 -10.200  -1.906  32.284
   45    HE1  HIS   6           HE1      HIS   6  -8.728  -5.871  32.571
   46    HE2  HIS   6           HE2      HIS   6  -9.124  -3.702  33.798
   47    H    HIS   7           H        HIS   7 -10.814   1.051  29.107
   48    HA   HIS   7           HA       HIS   7 -11.141   0.808  26.221
   49    HB2  HIS   7           2HB      HIS   7 -11.316   3.104  28.145
   50    HB3  HIS   7           3HB      HIS   7 -11.129   3.400  26.421
   51    HD1  HIS   7           HD1      HIS   7 -13.156   3.120  24.953
   52    HD2  HIS   7           HD2      HIS   7 -13.797   1.888  28.874
   53    HE1  HIS   7           HE1      HIS   7 -15.629   2.715  25.141
   54    HE2  HIS   7           HE2      HIS   7 -16.017   2.178  27.571
   55    H    HIS   8           H        HIS   8  -9.619   1.310  24.745
   56    HA   HIS   8           HA       HIS   8  -6.921   1.708  25.701
   57    HB2  HIS   8           2HB      HIS   8  -8.033   1.428  22.901
   58    HB3  HIS   8           3HB      HIS   8  -6.323   1.632  23.265
   59    HD1  HIS   8           HD1      HIS   8  -5.123  -0.374  24.476
   60    HD2  HIS   8           HD2      HIS   8  -9.038  -1.121  23.277
   61    HE1  HIS   8           HE1      HIS   8  -5.418  -2.871  24.620
   62    HE2  HIS   8           HE2      HIS   8  -7.735  -3.311  23.735
   63    H    SER   9           H        SER   9  -7.233   3.724  26.692
   64    HA   SER   9           HA       SER   9  -8.151   5.974  25.166
   65    HB2  SER   9           2HB      SER   9  -8.533   5.701  27.636
   66    HB3  SER   9           3HB      SER   9  -6.810   5.981  27.877
   67    HG   SER   9           HG       SER   9  -7.107   8.040  27.592
   68    H    HIS  10           H        HIS  10  -6.726   6.009  23.454
   69    HA   HIS  10           HA       HIS  10  -4.206   7.365  24.043
   70    HB2  HIS  10           2HB      HIS  10  -3.899   4.825  23.635
   71    HB3  HIS  10           3HB      HIS  10  -4.339   5.173  21.969
   72    HD1  HIS  10           HD1      HIS  10  -1.462   4.654  23.911
   73    HD2  HIS  10           HD2      HIS  10  -2.492   7.429  20.987
   74    HE1  HIS  10           HE1      HIS  10   0.716   5.541  23.015
   75    HE2  HIS  10           HE2      HIS  10   0.068   7.096  21.136
   76    H    MET  11           H        MET  11  -4.520   9.276  23.080
   77    HA   MET  11           HA       MET  11  -6.614   9.795  21.319
   78    HB2  MET  11           2HB      MET  11  -5.540  12.014  20.960
   79    HB3  MET  11           3HB      MET  11  -5.741  11.572  22.646
   80    HG2  MET  11           2HG      MET  11  -3.374  10.942  22.749
   81    HG3  MET  11           3HG      MET  11  -3.185  11.425  21.064
   82    HE1  MET  11           3HE      MET  11  -1.288  14.247  23.037
   83    HE2  MET  11           1HE      MET  11  -1.156  12.992  21.805
   84    HE3  MET  11           2HE      MET  11  -1.385  12.545  23.495
   85    H    VAL  12           H        VAL  12  -3.135   9.573  20.513
   86    HA   VAL  12           HA       VAL  12  -3.868   9.409  17.696
   87    HB   VAL  12           HB       VAL  12  -1.089   9.273  18.883
   88   HG11  VAL  12          1HG1      VAL  12  -1.234   8.377  16.635
   89   HG12  VAL  12          2HG1      VAL  12  -0.383   9.921  16.618
   90   HG13  VAL  12          3HG1      VAL  12  -2.062   9.834  16.082
   91   HG21  VAL  12          3HG2      VAL  12  -2.578  11.674  17.823
   92   HG22  VAL  12          1HG2      VAL  12  -0.878  11.643  18.289
   93   HG23  VAL  12          2HG2      VAL  12  -2.129  11.383  19.504
   94    H    ALA  13           H        ALA  13  -4.993   7.434  17.874
   95    HA   ALA  13           HA       ALA  13  -3.841   5.088  18.965
   96    HB1  ALA  13           3HB      ALA  13  -6.266   5.410  18.760
   97    HB2  ALA  13           1HB      ALA  13  -5.731   3.914  17.995
   98    HB3  ALA  13           2HB      ALA  13  -6.120   5.321  17.006
   99    H    ASN  14           H        ASN  14  -3.963   6.426  15.718
  100    HA   ASN  14           HA       ASN  14  -2.733   4.049  14.588
  101    HB2  ASN  14           2HB      ASN  14  -3.568   6.644  13.273
  102    HB3  ASN  14           3HB      ASN  14  -2.964   5.225  12.425
  103   HD21  ASN  14          1HD2      ASN  14  -5.490   6.583  12.131
  104   HD22  ASN  14          2HD2      ASN  14  -6.727   5.417  12.461
  105    HA   PRO  15           HA       PRO  15   1.216   6.146  15.084
  106    HB2  PRO  15           2HB      PRO  15   2.706   3.943  15.306
  107    HB3  PRO  15           3HB      PRO  15   1.642   4.453  16.620
  108    HG2  PRO  15           2HG      PRO  15   1.285   2.266  14.631
  109    HG3  PRO  15           3HG      PRO  15   0.787   2.334  16.329
  110    HD2  PRO  15           2HD      PRO  15  -0.837   2.825  14.083
  111    HD3  PRO  15           3HD      PRO  15  -1.242   3.183  15.773
  112    HA   PRO  16           HA       PRO  16   2.914   5.636  10.953
  113    HB2  PRO  16           2HB      PRO  16   5.563   6.075  11.394
  114    HB3  PRO  16           3HB      PRO  16   4.362   7.369  11.342
  115    HG2  PRO  16           2HG      PRO  16   5.664   6.082  13.687
  116    HG3  PRO  16           3HG      PRO  16   5.179   7.770  13.451
  117    HD2  PRO  16           2HD      PRO  16   3.763   5.933  14.936
  118    HD3  PRO  16           3HD      PRO  16   3.057   7.382  14.197
  119    H    ALA  17           H        ALA  17   3.566   3.925   9.768
  120    HA   ALA  17           HA       ALA  17   4.261   1.509  11.179
  121    HB1  ALA  17           3HB      ALA  17   2.666   1.475   9.309
  122    HB2  ALA  17           1HB      ALA  17   4.043   0.409   9.029
  123    HB3  ALA  17           2HB      ALA  17   3.957   1.969   8.214
  124    H    SER  18           H        SER  18   6.229   0.727  11.481
  125    HA   SER  18           HA       SER  18   8.535   2.136  10.553
  126    HB2  SER  18           2HB      SER  18   9.762   0.278  11.719
  127    HB3  SER  18           3HB      SER  18   8.582   1.107  12.735
  128    HG   SER  18           HG       SER  18   8.237  -1.041  13.048
  129    H    LYS  19           H        LYS  19  10.375   0.951   9.491
  130    HA   LYS  19           HA       LYS  19   9.663   0.056   6.951
  131    HB2  LYS  19           2HB      LYS  19  11.876   0.977   7.553
  132    HB3  LYS  19           3HB      LYS  19  12.233  -0.495   8.444
  133    HG2  LYS  19           2HG      LYS  19  11.978  -1.767   6.320
  134    HG3  LYS  19           3HG      LYS  19  11.812  -0.227   5.476
  135    HD2  LYS  19           2HD      LYS  19  14.191  -1.079   7.125
  136    HD3  LYS  19           3HD      LYS  19  14.105  -1.086   5.363
  137    HE2  LYS  19           2HE      LYS  19  13.840   1.318   5.328
  138    HE3  LYS  19           3HE      LYS  19  13.786   1.366   7.090
  139    HZ1  LYS  19           3HZ      LYS  19  16.115   0.441   5.494
  140    HZ2  LYS  19           1HZ      LYS  19  16.053   0.615   7.181
  141    HZ3  LYS  19           2HZ      LYS  19  15.965   1.982   6.183
  142    H    GLU  20           H        GLU  20  10.247  -1.741   9.913
  143    HA   GLU  20           HA       GLU  20  10.595  -4.303   8.869
  144    HB2  GLU  20           2HB      GLU  20   9.162  -3.603  11.432
  145    HB3  GLU  20           3HB      GLU  20   9.937  -5.132  11.047
  146    HG2  GLU  20           2HG      GLU  20  12.109  -4.017  10.999
  147    HG3  GLU  20           3HG      GLU  20  11.329  -2.485  11.391
  148    H    SER  21           H        SER  21   7.673  -2.458   9.455
  149    HA   SER  21           HA       SER  21   5.950  -4.724   8.931
  150    HB2  SER  21           2HB      SER  21   5.242  -1.809   9.354
  151    HB3  SER  21           3HB      SER  21   4.124  -3.175   9.390
  152    HG   SER  21           HG       SER  21   5.965  -2.324  11.293
  153    H    ILE  22           H        ILE  22   7.107  -1.861   7.266
  154    HA   ILE  22           HA       ILE  22   5.184  -2.101   5.122
  155    HB   ILE  22           HB       ILE  22   7.600  -0.306   5.355
  156   HG12  ILE  22          2HG1      ILE  22   4.674   0.274   5.875
  157   HG13  ILE  22          3HG1      ILE  22   5.899   0.057   7.121
  158   HG21  ILE  22          1HG2      ILE  22   6.540   0.996   3.582
  159   HG22  ILE  22          2HG2      ILE  22   5.246  -0.195   3.477
  160   HG23  ILE  22          3HG2      ILE  22   6.897  -0.645   3.046
  161   HD11  ILE  22          3HD1      ILE  22   5.848   2.244   5.053
  162   HD12  ILE  22          1HD1      ILE  22   7.084   2.026   6.293
  163   HD13  ILE  22          2HD1      ILE  22   5.425   2.405   6.757
  164    H    ASP  23           H        ASP  23   8.657  -2.638   5.545
  165    HA   ASP  23           HA       ASP  23   9.295  -3.090   2.845
  166    HB2  ASP  23           2HB      ASP  23  10.913  -2.638   4.733
  167    HB3  ASP  23           3HB      ASP  23  10.685  -4.307   5.237
  168    H    ALA  24           H        ALA  24   8.026  -5.165   5.335
  169    HA   ALA  24           HA       ALA  24   8.572  -7.608   3.896
  170    HB1  ALA  24           3HB      ALA  24   8.718  -7.517   6.344
  171    HB2  ALA  24           1HB      ALA  24   7.559  -8.725   5.790
  172    HB3  ALA  24           2HB      ALA  24   6.988  -7.181   6.424
  173    H    LEU  25           H        LEU  25   6.350  -5.304   3.347
  174    HA   LEU  25           HA       LEU  25   3.958  -6.828   3.083
  175    HB2  LEU  25           2HB      LEU  25   4.842  -4.212   1.881
  176    HB3  LEU  25           3HB      LEU  25   3.271  -4.917   1.559
  177    HG   LEU  25           HG       LEU  25   4.296  -4.074   4.271
  178   HD11  LEU  25          1HD1      LEU  25   2.193  -2.860   2.483
  179   HD12  LEU  25          2HD1      LEU  25   3.783  -2.178   2.826
  180   HD13  LEU  25          3HD1      LEU  25   2.592  -2.330   4.117
  181   HD21  LEU  25          3HD2      LEU  25   2.035  -4.555   5.047
  182   HD22  LEU  25          1HD2      LEU  25   2.799  -6.005   4.398
  183   HD23  LEU  25          2HD2      LEU  25   1.598  -5.137   3.442
  184    HA   PRO  26           HA       PRO  26   4.874  -9.295  -0.428
  185    HB2  PRO  26           2HB      PRO  26   2.308  -9.431  -1.461
  186    HB3  PRO  26           3HB      PRO  26   2.937 -10.455  -0.169
  187    HG2  PRO  26           2HG      PRO  26   1.263  -7.986   0.012
  188    HG3  PRO  26           3HG      PRO  26   1.159  -9.485   0.955
  189    HD2  PRO  26           2HD      PRO  26   2.281  -7.284   1.977
  190    HD3  PRO  26           3HD      PRO  26   2.944  -8.897   2.321
  191    H    GLU  27           H        GLU  27   5.202  -9.143  -2.624
  192    HA   GLU  27           HA       GLU  27   4.535  -6.547  -3.836
  193    HB2  GLU  27           2HB      GLU  27   6.851  -8.391  -4.446
  194    HB3  GLU  27           3HB      GLU  27   6.517  -6.868  -5.260
  195    HG2  GLU  27           2HG      GLU  27   6.859  -5.666  -3.177
  196    HG3  GLU  27           3HG      GLU  27   7.156  -7.189  -2.337
  197    H    ILE  28           H        ILE  28   3.101  -6.615  -5.384
  198    HA   ILE  28           HA       ILE  28   2.710  -9.113  -6.893
  199    HB   ILE  28           HB       ILE  28   0.790  -6.796  -6.570
  200   HG12  ILE  28          2HG1      ILE  28   0.718  -9.531  -5.271
  201   HG13  ILE  28          3HG1      ILE  28   1.170  -8.039  -4.453
  202   HG21  ILE  28          1HG2      ILE  28   0.437  -9.521  -7.809
  203   HG22  ILE  28          2HG2      ILE  28   0.451  -7.972  -8.652
  204   HG23  ILE  28          3HG2      ILE  28  -0.859  -8.357  -7.536
  205   HD11  ILE  28          3HD1      ILE  28  -1.521  -8.640  -5.660
  206   HD12  ILE  28          1HD1      ILE  28  -1.070  -7.151  -4.829
  207   HD13  ILE  28          2HD1      ILE  28  -1.120  -8.676  -3.944
  208    H    LEU  29           H        LEU  29   3.458  -9.114  -8.903
  209    HA   LEU  29           HA       LEU  29   4.313  -6.662 -10.162
  210    HB2  LEU  29           2HB      LEU  29   5.627  -8.737 -10.372
  211    HB3  LEU  29           3HB      LEU  29   4.289  -9.496 -11.215
  212    HG   LEU  29           HG       LEU  29   4.527  -7.827 -13.035
  213   HD11  LEU  29          1HD1      LEU  29   5.526  -6.013 -11.763
  214   HD12  LEU  29          2HD1      LEU  29   6.551  -6.452 -13.129
  215   HD13  LEU  29          3HD1      LEU  29   6.980  -6.975 -11.502
  216   HD21  LEU  29          3HD2      LEU  29   7.015  -9.402 -12.383
  217   HD22  LEU  29          1HD2      LEU  29   6.589  -8.763 -13.971
  218   HD23  LEU  29          2HD2      LEU  29   5.588 -10.006 -13.222
  219    H    VAL  30           H        VAL  30   2.822  -5.384 -11.016
  220    HA   VAL  30           HA       VAL  30   0.274  -6.366 -11.877
  221    HB   VAL  30           HB       VAL  30   1.450  -3.614 -12.293
  222   HG11  VAL  30          1HG1      VAL  30  -1.427  -4.526 -12.256
  223   HG12  VAL  30          2HG1      VAL  30  -0.500  -4.124 -13.702
  224   HG13  VAL  30          3HG1      VAL  30  -0.851  -2.878 -12.507
  225   HG21  VAL  30          3HG2      VAL  30  -0.237  -4.656 -10.020
  226   HG22  VAL  30          1HG2      VAL  30   0.241  -2.976 -10.258
  227   HG23  VAL  30          2HG2      VAL  30   1.465  -4.202  -9.930
  228    H    THR  31           H        THR  31  -0.368  -6.932 -13.847
  229    HA   THR  31           HA       THR  31   1.340  -6.227 -16.134
  230    HB   THR  31           HB       THR  31   0.430  -8.303 -17.225
  231    HG1  THR  31           HG1      THR  31  -1.015  -9.438 -16.192
  232   HG21  THR  31          3HG2      THR  31   1.926  -9.840 -16.043
  233   HG22  THR  31          1HG2      THR  31   2.007  -8.722 -14.681
  234   HG23  THR  31          2HG2      THR  31   2.675  -8.258 -16.246
  235    H    GLU  32           H        GLU  32   0.269  -5.636 -18.061
  236    HA   GLU  32           HA       GLU  32  -2.064  -4.092 -17.520
  237    HB2  GLU  32           2HB      GLU  32  -1.865  -3.291 -19.790
  238    HB3  GLU  32           3HB      GLU  32  -0.275  -3.327 -19.040
  239    HG2  GLU  32           2HG      GLU  32   0.229  -5.413 -20.208
  240    HG3  GLU  32           3HG      GLU  32  -1.367  -5.371 -20.959
  241    H    ASP  33           H        ASP  33  -1.555  -7.274 -18.640
  242    HA   ASP  33           HA       ASP  33  -3.876  -7.561 -20.248
  243    HB2  ASP  33           2HB      ASP  33  -3.412  -9.853 -20.309
  244    HB3  ASP  33           3HB      ASP  33  -1.824  -9.128 -20.090
  245    H    HIS  34           H        HIS  34  -3.351  -7.449 -16.848
  246    HA   HIS  34           HA       HIS  34  -5.925  -8.683 -16.243
  247    HB2  HIS  34           2HB      HIS  34  -3.765  -8.978 -14.847
  248    HB3  HIS  34           3HB      HIS  34  -4.104  -7.362 -14.235
  249    HD1  HIS  34           HD1      HIS  34  -6.254  -7.094 -12.732
  250    HD2  HIS  34           HD2      HIS  34  -5.326 -11.004 -13.803
  251    HE1  HIS  34           HE1      HIS  34  -7.635  -8.561 -11.224
  252    HE2  HIS  34           HE2      HIS  34  -7.078 -10.925 -11.906
  253    H    GLY  35           H        GLY  35  -4.656  -5.647 -16.976
  254    HA2  GLY  35           2HA      GLY  35  -5.707  -3.603 -17.167
  255    HA3  GLY  35           3HA      GLY  35  -7.175  -4.350 -16.549
  256    H    ALA  36           H        ALA  36  -7.354  -4.646 -14.249
  257    HA   ALA  36           HA       ALA  36  -5.906  -2.566 -12.753
  258    HB1  ALA  36           3HB      ALA  36  -8.336  -2.242 -12.884
  259    HB2  ALA  36           1HB      ALA  36  -7.810  -2.542 -11.227
  260    HB3  ALA  36           2HB      ALA  36  -8.582  -3.829 -12.153
  261    H    VAL  37           H        VAL  37  -6.280  -3.342 -10.182
  262    HA   VAL  37           HA       VAL  37  -5.060  -6.026 -10.091
  263    HB   VAL  37           HB       VAL  37  -4.518  -3.782  -8.138
  264   HG11  VAL  37          1HG1      VAL  37  -2.685  -5.228  -7.382
  265   HG12  VAL  37          2HG1      VAL  37  -3.209  -6.474  -8.516
  266   HG13  VAL  37          3HG1      VAL  37  -4.258  -5.998  -7.180
  267   HG21  VAL  37          3HG2      VAL  37  -3.589  -3.183 -10.291
  268   HG22  VAL  37          1HG2      VAL  37  -2.838  -4.772 -10.440
  269   HG23  VAL  37          2HG2      VAL  37  -2.289  -3.650  -9.194
  270    H    GLY  38           H        GLY  38  -6.856  -7.193  -9.652
  271    HA2  GLY  38           2HA      GLY  38  -8.495  -8.152  -8.368
  272    HA3  GLY  38           3HA      GLY  38  -7.833  -7.266  -6.999
  273    H    GLN  39           H        GLN  39  -9.020  -5.709  -6.157
  274    HA   GLN  39           HA       GLN  39 -11.456  -4.907  -7.564
  275    HB2  GLN  39           2HB      GLN  39 -12.138  -4.021  -5.322
  276    HB3  GLN  39           3HB      GLN  39 -11.875  -5.758  -5.370
  277    HG2  GLN  39           2HG      GLN  39  -9.786  -5.555  -4.251
  278    HG3  GLN  39           3HG      GLN  39  -9.805  -3.799  -4.414
  279   HE21  GLN  39          1HE2      GLN  39 -11.083  -2.577  -3.078
  280   HE22  GLN  39          2HE2      GLN  39 -11.833  -3.221  -1.650
  281    H    GLU  40           H        GLU  40  -8.358  -3.747  -6.887
  282    HA   GLU  40           HA       GLU  40  -9.249  -0.959  -6.788
  283    HB2  GLU  40           2HB      GLU  40  -6.528  -2.147  -6.232
  284    HB3  GLU  40           3HB      GLU  40  -6.934  -0.439  -6.111
  285    HG2  GLU  40           2HG      GLU  40  -8.056  -2.681  -4.456
  286    HG3  GLU  40           3HG      GLU  40  -6.936  -1.429  -3.926
  287    H    MET  41           H        MET  41  -8.841   0.453  -8.342
  288    HA   MET  41           HA       MET  41  -7.439  -0.554 -10.727
  289    HB2  MET  41           2HB      MET  41  -9.070   0.683 -12.098
  290    HB3  MET  41           3HB      MET  41  -9.831  -0.558 -11.113
  291    HG2  MET  41           2HG      MET  41 -10.450   1.214  -9.480
  292    HG3  MET  41           3HG      MET  41  -9.826   2.408 -10.617
  293    HE1  MET  41           3HE      MET  41 -13.409  -0.366 -11.532
  294    HE2  MET  41           1HE      MET  41 -12.527  -0.386 -10.005
  295    HE3  MET  41           2HE      MET  41 -11.739  -0.932 -11.486
  296    H    CYS  42           H        CYS  42  -7.347   1.737  -8.346
  297    HA   CYS  42           HA       CYS  42  -5.528   3.373  -9.893
  298    HB2  CYS  42           2HB      CYS  42  -6.688   5.482  -9.070
  299    HB3  CYS  42           3HB      CYS  42  -7.496   4.602 -10.363
  300    HG   CYS  42           HG       CYS  42  -9.685   5.105  -9.027
  301    H    CYS  43           H        CYS  43  -4.132   4.640  -8.626
  302    HA   CYS  43           HA       CYS  43  -4.047   3.856  -5.784
  303    HB2  CYS  43           2HB      CYS  43  -2.118   3.079  -7.081
  304    HB3  CYS  43           3HB      CYS  43  -1.824   4.711  -7.663
  305    HA   PRO  44           HA       PRO  44  -5.437   8.214  -5.744
  306    HB2  PRO  44           2HB      PRO  44  -6.116   8.178  -3.076
  307    HB3  PRO  44           3HB      PRO  44  -7.186   7.671  -4.388
  308    HG2  PRO  44           2HG      PRO  44  -5.487   6.009  -2.574
  309    HG3  PRO  44           3HG      PRO  44  -7.136   5.709  -3.151
  310    HD2  PRO  44           2HD      PRO  44  -5.020   4.449  -4.219
  311    HD3  PRO  44           3HD      PRO  44  -6.408   4.939  -5.212
  312    H    ILE  45           H        ILE  45  -3.030   6.646  -3.837
  313    HA   ILE  45           HA       ILE  45  -2.106   8.829  -2.322
  314    HB   ILE  45           HB       ILE  45  -0.456   6.507  -3.342
  315   HG12  ILE  45          2HG1      ILE  45  -2.083   6.732  -0.795
  316   HG13  ILE  45          3HG1      ILE  45  -2.525   5.764  -2.198
  317   HG21  ILE  45          1HG2      ILE  45   0.882   8.318  -2.404
  318   HG22  ILE  45          2HG2      ILE  45   0.909   6.909  -1.343
  319   HG23  ILE  45          3HG2      ILE  45  -0.097   8.299  -0.936
  320   HD11  ILE  45          3HD1      ILE  45  -0.525   4.398  -1.878
  321   HD12  ILE  45          1HD1      ILE  45  -1.567   4.385  -0.455
  322   HD13  ILE  45          2HD1      ILE  45  -0.100   5.363  -0.463
  323    H    CYS  46           H        CYS  46  -1.636   7.936  -5.659
  324    HA   CYS  46           HA       CYS  46   0.082  10.304  -5.991
  325    HB2  CYS  46           2HB      CYS  46   1.240   9.095  -7.837
  326    HB3  CYS  46           3HB      CYS  46   1.488   8.357  -6.259
  327    H    CYS  47           H        CYS  47  -2.812   8.857  -6.711
  328    HA   CYS  47           HA       CYS  47  -4.480   9.189  -8.202
  329    HB2  CYS  47           2HB      CYS  47  -2.917  11.709  -8.802
  330    HB3  CYS  47           3HB      CYS  47  -4.550  11.384  -9.375
  331    HG   CYS  47           HG       CYS  47  -3.906  13.062  -6.841
  332    H    SER  48           H        SER  48  -2.289   7.566  -8.969
  333    HA   SER  48           HA       SER  48  -2.427   7.887 -11.887
  334    HB2  SER  48           2HB      SER  48  -0.106   6.712 -10.335
  335    HB3  SER  48           3HB      SER  48  -0.193   6.933 -12.082
  336    HG   SER  48           HG       SER  48  -0.471   9.247 -11.571
  337    H    GLU  49           H        GLU  49  -2.277   5.859 -13.078
  338    HA   GLU  49           HA       GLU  49  -3.982   3.867 -11.870
  339    HB2  GLU  49           2HB      GLU  49  -4.009   2.902 -14.156
  340    HB3  GLU  49           3HB      GLU  49  -4.468   4.599 -14.124
  341    HG2  GLU  49           2HG      GLU  49  -2.186   5.201 -14.830
  342    HG3  GLU  49           3HG      GLU  49  -1.792   3.485 -14.935
  343    H    TYR  50           H        TYR  50  -3.357   1.508 -12.876
  344    HA   TYR  50           HA       TYR  50  -0.633   0.944 -11.920
  345    HB2  TYR  50           2HB      TYR  50  -3.088  -0.818 -12.039
  346    HB3  TYR  50           3HB      TYR  50  -1.479  -1.412 -11.643
  347    HD1  TYR  50           HD1      TYR  50  -0.390  -0.757  -9.556
  348    HD2  TYR  50           HD2      TYR  50  -4.366   0.468 -10.434
  349    HE1  TYR  50           HE1      TYR  50  -0.711  -0.138  -7.200
  350    HE2  TYR  50           HE2      TYR  50  -4.700   1.089  -8.077
  351    HH   TYR  50           HH       TYR  50  -3.721   0.494  -5.843
  352    H    VAL  51           H        VAL  51   0.817   0.491 -13.426
  353    HA   VAL  51           HA       VAL  51  -0.135  -0.368 -16.070
  354    HB   VAL  51           HB       VAL  51   2.005   0.496 -16.953
  355   HG11  VAL  51          1HG1      VAL  51   1.475   2.876 -16.703
  356   HG12  VAL  51          2HG1      VAL  51   0.408   2.493 -15.352
  357   HG13  VAL  51          3HG1      VAL  51   0.026   1.907 -16.973
  358   HG21  VAL  51          3HG2      VAL  51   3.429   1.903 -15.535
  359   HG22  VAL  51          1HG2      VAL  51   3.377   0.241 -14.949
  360   HG23  VAL  51          2HG2      VAL  51   2.439   1.493 -14.135
  361    H    LYS  52           H        LYS  52   1.733  -1.555 -17.310
  362    HA   LYS  52           HA       LYS  52   2.117  -4.012 -15.876
  363    HB2  LYS  52           2HB      LYS  52   1.519  -3.950 -18.270
  364    HB3  LYS  52           3HB      LYS  52   3.064  -3.194 -18.628
  365    HG2  LYS  52           2HG      LYS  52   4.232  -5.187 -17.865
  366    HG3  LYS  52           3HG      LYS  52   2.691  -5.944 -17.454
  367    HD2  LYS  52           2HD      LYS  52   3.426  -6.772 -19.590
  368    HD3  LYS  52           3HD      LYS  52   2.014  -5.742 -19.831
  369    HE2  LYS  52           2HE      LYS  52   3.635  -3.865 -20.323
  370    HE3  LYS  52           3HE      LYS  52   4.901  -5.090 -20.367
  371    HZ1  LYS  52           3HZ      LYS  52   2.551  -4.839 -22.152
  372    HZ2  LYS  52           1HZ      LYS  52   3.500  -6.248 -22.084
  373    HZ3  LYS  52           2HZ      LYS  52   4.195  -4.780 -22.575
  374    H    GLY  53           H        GLY  53   3.816  -4.576 -14.724
  375    HA2  GLY  53           2HA      GLY  53   6.168  -4.849 -14.413
  376    HA3  GLY  53           3HA      GLY  53   6.430  -3.370 -15.330
  377    H    ASP  54           H        ASP  54   3.885  -2.766 -13.376
  378    HA   ASP  54           HA       ASP  54   5.536  -1.268 -11.517
  379    HB2  ASP  54           2HB      ASP  54   3.285  -0.550 -12.719
  380    HB3  ASP  54           3HB      ASP  54   2.552  -1.349 -11.331
  381    H    VAL  55           H        VAL  55   5.095  -1.368  -9.176
  382    HA   VAL  55           HA       VAL  55   4.562  -4.158  -8.383
  383    HB   VAL  55           HB       VAL  55   6.399  -2.143  -7.071
  384   HG11  VAL  55          1HG1      VAL  55   7.030  -3.970  -5.565
  385   HG12  VAL  55          2HG1      VAL  55   5.807  -5.003  -6.305
  386   HG13  VAL  55          3HG1      VAL  55   5.321  -3.566  -5.406
  387   HG21  VAL  55          3HG2      VAL  55   7.286  -3.094  -9.146
  388   HG22  VAL  55          1HG2      VAL  55   7.010  -4.718  -8.519
  389   HG23  VAL  55          2HG2      VAL  55   8.186  -3.661  -7.740
  390    H    ALA  56           H        ALA  56   2.699  -4.383  -7.423
  391    HA   ALA  56           HA       ALA  56   1.700  -2.243  -5.665
  392    HB1  ALA  56           3HB      ALA  56   0.187  -2.844  -7.494
  393    HB2  ALA  56           1HB      ALA  56  -0.511  -3.258  -5.928
  394    HB3  ALA  56           2HB      ALA  56   0.183  -4.520  -6.945
  395    H    THR  57           H        THR  57   0.474  -3.062  -3.735
  396    HA   THR  57           HA       THR  57   1.559  -5.600  -2.727
  397    HB   THR  57           HB       THR  57   2.766  -3.599  -1.754
  398    HG1  THR  57           HG1      THR  57   2.770  -5.523  -0.603
  399   HG21  THR  57          3HG2      THR  57   0.096  -3.124  -0.417
  400   HG22  THR  57          1HG2      THR  57   0.863  -2.066  -1.603
  401   HG23  THR  57          2HG2      THR  57   1.607  -2.306  -0.022
  402    H    GLU  58           H        GLU  58   0.285  -6.199  -0.632
  403    HA   GLU  58           HA       GLU  58  -2.574  -5.651  -1.081
  404    HB2  GLU  58           2HB      GLU  58  -1.505  -7.979  -1.822
  405    HB3  GLU  58           3HB      GLU  58  -1.694  -8.339  -0.115
  406    HG2  GLU  58           2HG      GLU  58  -3.897  -7.517  -1.996
  407    HG3  GLU  58           3HG      GLU  58  -3.573  -9.154  -1.437
  408    H    LEU  59           H        LEU  59  -3.407  -4.756   0.676
  409    HA   LEU  59           HA       LEU  59  -2.036  -4.976   3.231
  410    HB2  LEU  59           2HB      LEU  59  -4.481  -3.391   2.425
  411    HB3  LEU  59           3HB      LEU  59  -3.685  -3.294   3.983
  412    HG   LEU  59           HG       LEU  59  -2.472  -2.499   1.334
  413   HD11  LEU  59          1HD1      LEU  59  -2.567  -0.224   2.276
  414   HD12  LEU  59          2HD1      LEU  59  -3.461  -0.856   3.660
  415   HD13  LEU  59          3HD1      LEU  59  -4.165  -0.931   2.045
  416   HD21  LEU  59          3HD2      LEU  59  -0.791  -3.382   2.860
  417   HD22  LEU  59          1HD2      LEU  59  -1.366  -2.307   4.135
  418   HD23  LEU  59          2HD2      LEU  59  -0.619  -1.636   2.684
  419    HA   PRO  60           HA       PRO  60  -4.499  -8.194   4.910
  420    HB2  PRO  60           2HB      PRO  60  -4.673  -7.420   7.531
  421    HB3  PRO  60           3HB      PRO  60  -3.240  -8.154   6.806
  422    HG2  PRO  60           2HG      PRO  60  -3.837  -5.263   7.306
  423    HG3  PRO  60           3HG      PRO  60  -2.330  -6.157   7.586
  424    HD2  PRO  60           2HD      PRO  60  -2.642  -4.588   5.437
  425    HD3  PRO  60           3HD      PRO  60  -1.747  -6.120   5.341
  426    H    CYS  61           H        CYS  61  -5.751  -5.202   4.443
  427    HA   CYS  61           HA       CYS  61  -8.349  -5.863   5.659
  428    HB2  CYS  61           2HB      CYS  61  -8.870  -3.502   5.520
  429    HB3  CYS  61           3HB      CYS  61  -7.303  -3.682   6.303
  430    H    HIS  62           H        HIS  62  -6.841  -6.488   2.961
  431    HA   HIS  62           HA       HIS  62  -7.340  -6.844   0.788
  432    HB2  HIS  62           2HB      HIS  62 -10.164  -6.303   1.706
  433    HB3  HIS  62           3HB      HIS  62  -9.753  -6.751   0.053
  434    HD1  HIS  62           HD1      HIS  62 -11.491  -8.440   2.159
  435    HD2  HIS  62           HD2      HIS  62  -7.548  -9.115   1.022
  436    HE1  HIS  62           HE1      HIS  62 -11.053 -10.870   2.628
  437    HE2  HIS  62           HE2      HIS  62  -8.603 -11.194   2.133
  438    H    HIS  63           H        HIS  63  -6.104  -5.167   0.106
  439    HA   HIS  63           HA       HIS  63  -7.384  -3.187  -1.434
  440    HB2  HIS  63           2HB      HIS  63  -6.667  -2.375   1.304
  441    HB3  HIS  63           3HB      HIS  63  -6.007  -1.326   0.052
  442    HD2  HIS  63           HD2      HIS  63  -8.486  -1.156  -1.973
  443    HE1  HIS  63           HE1      HIS  63 -10.803  -0.025   1.387
  444    HE2  HIS  63           HE2      HIS  63 -10.741  -0.233  -1.123
  445    H    TYR  64           H        TYR  64  -6.078  -2.768  -3.072
  446    HA   TYR  64           HA       TYR  64  -3.266  -3.562  -2.793
  447    HB2  TYR  64           2HB      TYR  64  -4.867  -3.187  -5.332
  448    HB3  TYR  64           3HB      TYR  64  -3.282  -3.937  -5.179
  449    HD1  TYR  64           HD1      TYR  64  -6.888  -4.370  -4.575
  450    HD2  TYR  64           HD2      TYR  64  -3.058  -6.224  -4.441
  451    HE1  TYR  64           HE1      TYR  64  -7.965  -6.564  -4.312
  452    HE2  TYR  64           HE2      TYR  64  -4.129  -8.424  -4.179
  453    HH   TYR  64           HH       TYR  64  -6.251  -9.352  -3.393
  454    H    PHE  65           H        PHE  65  -1.678  -2.113  -3.094
  455    HA   PHE  65           HA       PHE  65  -2.212   0.414  -4.452
  456    HB2  PHE  65           2HB      PHE  65  -1.184   0.238  -1.609
  457    HB3  PHE  65           3HB      PHE  65  -1.094   1.689  -2.599
  458    HD1  PHE  65           HD2      PHE  65  -3.265   2.712  -3.416
  459    HD2  PHE  65           HD1      PHE  65  -3.094  -0.254  -0.370
  460    HE1  PHE  65           HE2      PHE  65  -5.512   3.366  -2.659
  461    HE2  PHE  65           HE1      PHE  65  -5.341   0.394   0.390
  462    HZ   PHE  65           HZ       PHE  65  -6.553   2.206  -0.752
  463    H    HIS  66           H        HIS  66  -0.282   1.463  -5.165
  464    HA   HIS  66           HA       HIS  66   1.952  -0.085  -5.808
  465    HB2  HIS  66           2HB      HIS  66   1.674   2.898  -5.418
  466    HB3  HIS  66           3HB      HIS  66   3.175   2.156  -5.949
  467    HD2  HIS  66           HD2      HIS  66   2.130   0.237  -8.303
  468    HE1  HIS  66           HE1      HIS  66   0.313   3.735  -9.862
  469    HE2  HIS  66           HE2      HIS  66   1.422   1.550 -10.413
  470    H    LYS  67           H        LYS  67   3.572  -0.884  -4.577
  471    HA   LYS  67           HA       LYS  67   3.515  -0.633  -1.800
  472    HB2  LYS  67           2HB      LYS  67   4.576  -2.532  -3.029
  473    HB3  LYS  67           3HB      LYS  67   5.928  -1.474  -3.415
  474    HG2  LYS  67           2HG      LYS  67   6.452  -1.220  -1.072
  475    HG3  LYS  67           3HG      LYS  67   5.033  -2.163  -0.620
  476    HD2  LYS  67           2HD      LYS  67   5.995  -4.117  -1.770
  477    HD3  LYS  67           3HD      LYS  67   7.424  -3.162  -2.170
  478    HE2  LYS  67           2HE      LYS  67   7.898  -2.849   0.202
  479    HE3  LYS  67           3HE      LYS  67   6.449  -3.759   0.624
  480    HZ1  LYS  67           3HZ      LYS  67   7.410  -5.722  -0.376
  481    HZ2  LYS  67           1HZ      LYS  67   8.472  -5.098   0.786
  482    HZ3  LYS  67           2HZ      LYS  67   8.783  -4.853  -0.862
  483    HA   PRO  68           HA       PRO  68   7.317   2.517  -2.270
  484    HB2  PRO  68           2HB      PRO  68   6.308   3.731  -4.803
  485    HB3  PRO  68           3HB      PRO  68   7.967   3.561  -4.220
  486    HG2  PRO  68           2HG      PRO  68   7.057   1.957  -6.122
  487    HG3  PRO  68           3HG      PRO  68   8.091   1.321  -4.828
  488    HD2  PRO  68           2HD      PRO  68   5.138   1.063  -5.195
  489    HD3  PRO  68           3HD      PRO  68   6.305  -0.119  -4.568
  490    H    CYS  69           H        CYS  69   4.058   3.140  -3.524
  491    HA   CYS  69           HA       CYS  69   3.840   5.765  -2.444
  492    HB2  CYS  69           2HB      CYS  69   1.684   3.823  -3.293
  493    HB3  CYS  69           3HB      CYS  69   1.416   5.517  -2.895
  494    H    VAL  70           H        VAL  70   2.547   2.611  -1.421
  495    HA   VAL  70           HA       VAL  70   1.246   3.641   0.867
  496    HB   VAL  70           HB       VAL  70   0.736   1.442  -0.289
  497   HG11  VAL  70          1HG1      VAL  70   1.907  -0.548   0.506
  498   HG12  VAL  70          2HG1      VAL  70   3.053   0.473   1.371
  499   HG13  VAL  70          3HG1      VAL  70   2.979   0.527  -0.390
  500   HG21  VAL  70          3HG2      VAL  70   1.054   1.425   2.705
  501   HG22  VAL  70          1HG2      VAL  70   0.011   0.350   1.774
  502   HG23  VAL  70          2HG2      VAL  70  -0.310   2.084   1.801
  503    H    SER  71           H        SER  71   4.501   2.571   0.247
  504    HA   SER  71           HA       SER  71   5.418   2.282   2.879
  505    HB2  SER  71           2HB      SER  71   6.924   3.335   0.467
  506    HB3  SER  71           3HB      SER  71   7.658   2.736   1.954
  507    HG   SER  71           HG       SER  71   6.081   1.250   0.111
  508    H    ILE  72           H        ILE  72   5.541   5.128   0.738
  509    HA   ILE  72           HA       ILE  72   6.549   6.930   2.632
  510    HB   ILE  72           HB       ILE  72   4.779   7.510   0.247
  511   HG12  ILE  72          2HG1      ILE  72   7.799   7.554   0.502
  512   HG13  ILE  72          3HG1      ILE  72   6.872   6.281  -0.283
  513   HG21  ILE  72          1HG2      ILE  72   6.593   9.343   1.814
  514   HG22  ILE  72          2HG2      ILE  72   4.829   9.381   1.804
  515   HG23  ILE  72          3HG2      ILE  72   5.727   9.769   0.337
  516   HD11  ILE  72          3HD1      ILE  72   7.842   7.812  -1.901
  517   HD12  ILE  72          1HD1      ILE  72   6.989   9.159  -1.150
  518   HD13  ILE  72          2HD1      ILE  72   6.079   7.873  -1.945
  519    H    TRP  73           H        TRP  73   3.241   6.044   1.789
  520    HA   TRP  73           HA       TRP  73   1.944   7.994   3.356
  521    HB2  TRP  73           2HB      TRP  73   0.790   6.797   1.574
  522    HB3  TRP  73           3HB      TRP  73   0.974   5.278   2.445
  523    HD1  TRP  73           HD1      TRP  73  -0.833   4.693   4.225
  524    HE1  TRP  73           HE1      TRP  73  -2.962   5.857   5.077
  525    HE3  TRP  73           HE3      TRP  73  -0.182   9.277   2.040
  526    HZ2  TRP  73           HZ2      TRP  73  -4.199   8.387   4.858
  527    HZ3  TRP  73           HZ3      TRP  73  -1.885  11.014   2.419
  528    HH2  TRP  73           HH2      TRP  73  -3.851  10.576   3.798
  529    H    LEU  74           H        LEU  74   2.635   4.556   4.049
  530    HA   LEU  74           HA       LEU  74   1.444   4.613   6.614
  531    HB2  LEU  74           2HB      LEU  74   3.468   2.709   5.448
  532    HB3  LEU  74           3HB      LEU  74   2.639   2.462   6.973
  533    HG   LEU  74           HG       LEU  74   1.302   2.629   4.269
  534   HD11  LEU  74          1HD1      LEU  74   0.889   0.235   4.585
  535   HD12  LEU  74          2HD1      LEU  74   1.848   0.269   6.065
  536   HD13  LEU  74          3HD1      LEU  74   2.613   0.597   4.512
  537   HD21  LEU  74          3HD2      LEU  74   0.189   2.005   7.003
  538   HD22  LEU  74          1HD2      LEU  74  -0.694   1.862   5.483
  539   HD23  LEU  74          2HD2      LEU  74  -0.146   3.444   6.039
  540    H    GLN  75           H        GLN  75   4.711   5.275   5.504
  541    HA   GLN  75           HA       GLN  75   6.021   5.275   7.980
  542    HB2  GLN  75           2HB      GLN  75   6.496   6.836   5.448
  543    HB3  GLN  75           3HB      GLN  75   7.531   7.021   6.858
  544    HG2  GLN  75           2HG      GLN  75   8.146   4.689   6.757
  545    HG3  GLN  75           3HG      GLN  75   7.025   4.425   5.422
  546   HE21  GLN  75          1HE2      GLN  75   8.625   3.724   4.042
  547   HE22  GLN  75          2HE2      GLN  75   9.792   4.792   3.347
  548    H    LYS  76           H        LYS  76   3.875   7.592   6.513
  549    HA   LYS  76           HA       LYS  76   4.441   9.585   8.566
  550    HB2  LYS  76           2HB      LYS  76   2.556   9.659   6.199
  551    HB3  LYS  76           3HB      LYS  76   2.861  11.003   7.290
  552    HG2  LYS  76           2HG      LYS  76   5.199  11.048   6.593
  553    HG3  LYS  76           3HG      LYS  76   4.903   9.692   5.504
  554    HD2  LYS  76           2HD      LYS  76   3.521  12.371   5.345
  555    HD3  LYS  76           3HD      LYS  76   4.897  11.887   4.352
  556    HE2  LYS  76           2HE      LYS  76   3.571  10.036   3.435
  557    HE3  LYS  76           3HE      LYS  76   2.196  10.542   4.418
  558    HZ1  LYS  76           3HZ      LYS  76   2.077  11.332   2.105
  559    HZ2  LYS  76           1HZ      LYS  76   3.496  12.230   2.345
  560    HZ3  LYS  76           2HZ      LYS  76   2.095  12.606   3.223
  561    H    SER  77           H        SER  77   1.830   7.468   7.476
  562    HA   SER  77           HA       SER  77   0.651   7.558  10.117
  563    HB2  SER  77           2HB      SER  77  -1.645   8.066   9.044
  564    HB3  SER  77           3HB      SER  77  -0.537   9.415   9.295
  565    HG   SER  77           HG       SER  77  -0.560   7.994   6.856
  566    H    GLY  78           H        GLY  78   0.351   5.488  10.588
  567    HA2  GLY  78           2HA      GLY  78   0.118   3.509   8.501
  568    HA3  GLY  78           3HA      GLY  78   0.183   3.207  10.231
  569    H    THR  79           H        THR  79  -1.967   4.564   7.752
  570    HA   THR  79           HA       THR  79  -4.132   2.897   8.778
  571    HB   THR  79           HB       THR  79  -4.827   5.748   8.149
  572    HG1  THR  79           HG1      THR  79  -3.460   4.812  10.401
  573   HG21  THR  79          3HG2      THR  79  -5.999   3.671   9.997
  574   HG22  THR  79          1HG2      THR  79  -6.619   4.128   8.409
  575   HG23  THR  79          2HG2      THR  79  -6.644   5.292   9.733
  576    H    CYS  80           H        CYS  80  -5.477   2.192   7.177
  577    HA   CYS  80           HA       CYS  80  -4.720   2.609   4.448
  578    HB2  CYS  80           2HB      CYS  80  -5.703   0.480   5.339
  579    HB3  CYS  80           3HB      CYS  80  -7.228   1.317   5.556
  580    HA   PRO  81           HA       PRO  81  -6.806   6.544   4.323
  581    HB2  PRO  81           2HB      PRO  81  -6.701   6.821   1.561
  582    HB3  PRO  81           3HB      PRO  81  -5.430   7.303   2.689
  583    HG2  PRO  81           2HG      PRO  81  -5.662   4.828   1.038
  584    HG3  PRO  81           3HG      PRO  81  -4.224   5.784   1.431
  585    HD2  PRO  81           2HD      PRO  81  -4.747   3.457   2.659
  586    HD3  PRO  81           3HD      PRO  81  -4.001   4.817   3.527
  587    H    VAL  82           H        VAL  82  -7.755   3.939   2.124
  588    HA   VAL  82           HA       VAL  82 -10.161   5.194   1.291
  589    HB   VAL  82           HB       VAL  82  -9.445   2.266   1.105
  590   HG11  VAL  82          1HG1      VAL  82 -11.029   2.255  -0.783
  591   HG12  VAL  82          2HG1      VAL  82 -11.453   3.927  -0.415
  592   HG13  VAL  82          3HG1      VAL  82 -11.810   2.650   0.747
  593   HG21  VAL  82          3HG2      VAL  82  -7.733   3.642   0.062
  594   HG22  VAL  82          1HG2      VAL  82  -8.966   4.509  -0.853
  595   HG23  VAL  82          2HG2      VAL  82  -8.678   2.798  -1.165
  596    H    CYS  83           H        CYS  83  -9.537   2.593   3.670
  597    HA   CYS  83           HA       CYS  83 -12.401   2.725   4.347
  598    HB2  CYS  83           2HB      CYS  83 -12.274   0.381   5.009
  599    HB3  CYS  83           3HB      CYS  83 -11.729   0.580   3.347
  600    H    ARG  84           H        ARG  84  -9.345   3.403   5.486
  601    HA   ARG  84           HA       ARG  84  -8.485   4.075   7.451
  602    HB2  ARG  84           2HB      ARG  84 -11.272   4.101   8.577
  603    HB3  ARG  84           3HB      ARG  84  -9.889   5.016   9.132
  604    HG2  ARG  84           2HG      ARG  84 -11.276   5.390   6.483
  605    HG3  ARG  84           3HG      ARG  84 -11.487   6.405   7.912
  606    HD2  ARG  84           2HD      ARG  84  -9.175   7.081   7.832
  607    HD3  ARG  84           3HD      ARG  84  -8.858   5.962   6.505
  608    HE   ARG  84           HE       ARG  84 -10.274   7.351   5.106
  609   HH11  ARG  84          1HH1      ARG  84  -9.248   8.734   8.163
  610   HH12  ARG  84          2HH1      ARG  84  -9.454  10.379   7.628
  611   HH21  ARG  84          1HH2      ARG  84 -10.519   9.502   4.392
  612   HH22  ARG  84          2HH2      ARG  84 -10.130  10.815   5.467
  613    H    CYS  85           H        CYS  85  -7.366   2.274   7.880
  614    HA   CYS  85           HA       CYS  85  -8.318   0.662  10.103
  615    HB2  CYS  85           2HB      CYS  85  -8.873  -0.714   8.163
  616    HB3  CYS  85           3HB      CYS  85  -7.253  -0.500   7.512
  617    HG   CYS  85           HG       CYS  85  -6.073  -1.882   9.750
  618    H    MET  86           H        MET  86  -6.742   0.394  11.567
  619    HA   MET  86           HA       MET  86  -4.305   1.799  11.305
  620    HB2  MET  86           2HB      MET  86  -5.442   1.368  13.466
  621    HB3  MET  86           3HB      MET  86  -5.053  -0.336  13.308
  622    HG2  MET  86           2HG      MET  86  -2.631   0.317  13.277
  623    HG3  MET  86           3HG      MET  86  -3.144   1.950  13.698
  624    HE1  MET  86           3HE      MET  86  -5.649   1.284  15.600
  625    HE2  MET  86           1HE      MET  86  -4.460   2.535  15.966
  626    HE3  MET  86           2HE      MET  86  -4.873   1.330  17.184
  627    H    PHE  87           H        PHE  87  -2.267   1.135  10.848
  628    HA   PHE  87           HA       PHE  87  -1.812  -1.730  10.378
  629    HB2  PHE  87           2HB      PHE  87  -2.090  -0.585   8.199
  630    HB3  PHE  87           3HB      PHE  87  -0.787   0.521   8.625
  631    HD1  PHE  87           HD1      PHE  87  -1.620  -2.936   7.715
  632    HD2  PHE  87           HD2      PHE  87   1.507  -0.161   8.508
  633    HE1  PHE  87           HE1      PHE  87   0.016  -4.514   6.775
  634    HE2  PHE  87           HE2      PHE  87   3.148  -1.737   7.571
  635    HZ   PHE  87           HZ       PHE  87   2.403  -3.916   6.703
  636    HA   PRO  88           HA       PRO  88  -0.677  -3.227  10.894
  637    HB2  PRO  88           2HB      PRO  88   0.038  -4.477  13.181
  638    HB3  PRO  88           3HB      PRO  88   1.157  -4.263  11.828
  639    HG2  PRO  88           2HG      PRO  88   0.914  -2.677  14.355
  640    HG3  PRO  88           3HG      PRO  88   2.376  -3.250  13.530
  641    HD2  PRO  88           2HD      PRO  88   1.457  -0.702  13.315
  642    HD3  PRO  88           3HD      PRO  88   2.349  -1.519  12.017
  643    HA   PRO  89           HA       PRO  89  -4.616  -2.831  12.810
  644    HB2  PRO  89           2HB      PRO  89  -4.479  -5.772  13.277
  645    HB3  PRO  89           3HB      PRO  89  -5.727  -4.816  12.470
  646    HG2  PRO  89           2HG      PRO  89  -4.028  -6.275  11.046
  647    HG3  PRO  89           3HG      PRO  89  -4.514  -4.660  10.493
  648    HD2  PRO  89           2HD      PRO  89  -1.965  -5.538  11.783
  649    HD3  PRO  89           3HD      PRO  89  -2.223  -4.355  10.483
  650    HA   PRO  90           HA       PRO  90  -3.954  -2.851  17.186
  651    HB2  PRO  90           2HB      PRO  90  -6.421  -2.211  18.024
  652    HB3  PRO  90           3HB      PRO  90  -5.417  -1.064  17.130
  653    HG2  PRO  90           2HG      PRO  90  -7.694  -2.742  16.170
  654    HG3  PRO  90           3HG      PRO  90  -7.275  -1.071  15.750
  655    HD2  PRO  90           2HD      PRO  90  -6.692  -3.288  14.203
  656    HD3  PRO  90           3HD      PRO  90  -5.851  -1.733  14.102
  657    H    LEU  91           H        LEU  91  -4.864  -3.784  19.220
  658    HA   LEU  91           HA       LEU  91  -5.962  -6.469  18.736
  659    HB2  LEU  91           2HB      LEU  91  -4.033  -5.533  20.868
  660    HB3  LEU  91           3HB      LEU  91  -4.767  -7.124  20.832
  661    HG   LEU  91           HG       LEU  91  -2.940  -6.027  18.689
  662   HD11  LEU  91          1HD1      LEU  91  -1.293  -7.594  19.588
  663   HD12  LEU  91          2HD1      LEU  91  -2.407  -8.024  20.886
  664   HD13  LEU  91          3HD1      LEU  91  -1.753  -6.389  20.792
  665   HD21  LEU  91          3HD2      LEU  91  -4.552  -7.660  17.856
  666   HD22  LEU  91          1HD2      LEU  91  -4.085  -8.785  19.133
  667   HD23  LEU  91          2HD2      LEU  91  -2.924  -8.337  17.883
  Start of MODEL    4
    1    H1   MET   1           1H       MET   1   3.633  33.824  21.762
    2    H2   MET   1           2H       MET   1   2.106  33.492  21.095
    3    H3   MET   1           3H       MET   1   2.346  34.895  22.008
    4    HA   MET   1           HA       MET   1   2.250  35.326  19.623
    5    HB2  MET   1           2HB      MET   1   4.833  35.880  21.087
    6    HB3  MET   1           3HB      MET   1   4.468  36.576  19.515
    7    HG2  MET   1           2HG      MET   1   3.975  38.156  21.258
    8    HG3  MET   1           3HG      MET   1   2.485  37.654  20.463
    9    HE1  MET   1           3HE      MET   1   1.101  38.702  22.461
   10    HE2  MET   1           1HE      MET   1   2.581  39.173  23.298
   11    HE3  MET   1           2HE      MET   1   1.331  38.272  24.156
   12    H    GLY   2           H        GLY   2   2.386  34.202  17.810
   13    HA2  GLY   2           2HA      GLY   2   3.422  33.226  15.993
   14    HA3  GLY   2           3HA      GLY   2   4.959  33.395  16.824
   15    H    HIS   3           H        HIS   3   2.371  31.746  18.427
   16    HA   HIS   3           HA       HIS   3   3.840  29.225  18.029
   17    HB2  HIS   3           2HB      HIS   3   3.363  30.347  20.396
   18    HB3  HIS   3           3HB      HIS   3   1.821  29.515  20.210
   19    HD1  HIS   3           HD1      HIS   3   1.790  27.163  21.018
   20    HD2  HIS   3           HD2      HIS   3   5.637  28.454  20.104
   21    HE1  HIS   3           HE1      HIS   3   3.321  25.281  21.690
   22    HE2  HIS   3           HE2      HIS   3   5.652  26.144  21.265
   23    H    HIS   4           H        HIS   4   2.795  27.441  17.262
   24    HA   HIS   4           HA       HIS   4   0.443  28.049  15.708
   25    HB2  HIS   4           2HB      HIS   4   2.088  25.518  15.912
   26    HB3  HIS   4           3HB      HIS   4   0.767  25.771  14.770
   27    HD1  HIS   4           HD1      HIS   4   4.250  25.735  14.726
   28    HD2  HIS   4           HD2      HIS   4   1.425  28.449  13.328
   29    HE1  HIS   4           HE1      HIS   4   5.429  27.105  12.979
   30    HE2  HIS   4           HE2      HIS   4   3.766  28.888  12.330
   31    H    HIS   5           H        HIS   5  -1.491  26.863  15.693
   32    HA   HIS   5           HA       HIS   5  -2.395  26.229  18.383
   33    HB2  HIS   5           2HB      HIS   5  -3.931  26.335  15.774
   34    HB3  HIS   5           3HB      HIS   5  -4.637  26.219  17.381
   35    HD1  HIS   5           HD1      HIS   5  -2.969  28.637  15.052
   36    HD2  HIS   5           HD2      HIS   5  -4.776  28.611  18.798
   37    HE1  HIS   5           HE1      HIS   5  -3.263  31.055  15.680
   38    HE2  HIS   5           HE2      HIS   5  -4.486  31.019  17.887
   39    H    HIS   6           H        HIS   6  -0.602  24.379  16.924
   40    HA   HIS   6           HA       HIS   6  -2.072  22.267  15.762
   41    HB2  HIS   6           2HB      HIS   6   0.426  22.891  15.496
   42    HB3  HIS   6           3HB      HIS   6   0.668  21.925  16.945
   43    HD1  HIS   6           HD1      HIS   6  -0.210  21.647  13.317
   44    HD2  HIS   6           HD2      HIS   6   0.441  19.151  16.584
   45    HE1  HIS   6           HE1      HIS   6  -0.004  19.330  12.368
   46    HE2  HIS   6           HE2      HIS   6   0.594  17.869  14.336
   47    H    HIS   7           H        HIS   7  -1.062  22.911  19.065
   48    HA   HIS   7           HA       HIS   7  -1.584  20.271  20.026
   49    HB2  HIS   7           2HB      HIS   7  -1.267  21.141  22.230
   50    HB3  HIS   7           3HB      HIS   7  -0.115  21.962  21.187
   51    HD1  HIS   7           HD1      HIS   7  -0.401  24.494  20.854
   52    HD2  HIS   7           HD2      HIS   7  -3.285  22.787  23.317
   53    HE1  HIS   7           HE1      HIS   7  -1.583  26.423  21.958
   54    HE2  HIS   7           HE2      HIS   7  -3.226  25.367  23.553
   55    H    HIS   8           H        HIS   8  -3.621  22.656  18.933
   56    HA   HIS   8           HA       HIS   8  -5.848  21.871  20.669
   57    HB2  HIS   8           2HB      HIS   8  -5.465  24.286  20.322
   58    HB3  HIS   8           3HB      HIS   8  -5.649  24.068  18.588
   59    HD1  HIS   8           HD1      HIS   8  -7.880  22.886  21.453
   60    HD2  HIS   8           HD2      HIS   8  -8.029  25.196  17.996
   61    HE1  HIS   8           HE1      HIS   8 -10.278  23.618  21.223
   62    HE2  HIS   8           HE2      HIS   8 -10.349  25.013  19.124
   63    H    SER   9           H        SER   9  -4.403  20.628  18.123
   64    HA   SER   9           HA       SER   9  -6.876  19.970  16.684
   65    HB2  SER   9           2HB      SER   9  -5.054  20.978  15.326
   66    HB3  SER   9           3HB      SER   9  -4.011  19.627  15.766
   67    HG   SER   9           HG       SER   9  -6.471  18.916  14.718
   68    H    HIS  10           H        HIS  10  -7.741  18.226  17.605
   69    HA   HIS  10           HA       HIS  10  -6.033  16.004  18.419
   70    HB2  HIS  10           2HB      HIS  10  -9.013  16.463  18.678
   71    HB3  HIS  10           3HB      HIS  10  -8.216  14.967  19.154
   72    HD1  HIS  10           HD1      HIS  10  -9.715  16.563  21.252
   73    HD2  HIS  10           HD2      HIS  10  -5.670  17.063  20.442
   74    HE1  HIS  10           HE1      HIS  10  -8.727  17.564  23.340
   75    HE2  HIS  10           HE2      HIS  10  -6.245  17.661  22.889
   76    H    MET  11           H        MET  11  -5.283  15.416  16.367
   77    HA   MET  11           HA       MET  11  -7.323  14.193  14.632
   78    HB2  MET  11           2HB      MET  11  -5.955  14.720  12.708
   79    HB3  MET  11           3HB      MET  11  -6.268  16.188  13.620
   80    HG2  MET  11           2HG      MET  11  -4.036  16.051  14.604
   81    HG3  MET  11           3HG      MET  11  -3.722  14.582  13.683
   82    HE1  MET  11           3HE      MET  11  -1.717  16.988  13.554
   83    HE2  MET  11           1HE      MET  11  -1.419  17.078  11.818
   84    HE3  MET  11           2HE      MET  11  -1.549  15.506  12.608
   85    H    VAL  12           H        VAL  12  -5.554  13.186  16.895
   86    HA   VAL  12           HA       VAL  12  -3.694  11.385  15.746
   87    HB   VAL  12           HB       VAL  12  -3.823  10.187  17.963
   88   HG11  VAL  12          1HG1      VAL  12  -3.320  13.161  17.997
   89   HG12  VAL  12          2HG1      VAL  12  -2.171  11.908  17.533
   90   HG13  VAL  12          3HG1      VAL  12  -2.736  12.009  19.200
   91   HG21  VAL  12          3HG2      VAL  12  -6.128  10.747  18.548
   92   HG22  VAL  12          1HG2      VAL  12  -5.695  12.454  18.655
   93   HG23  VAL  12          2HG2      VAL  12  -5.008  11.297  19.795
   94    H    ALA  13           H        ALA  13  -4.245   9.888  14.364
   95    HA   ALA  13           HA       ALA  13  -6.251   7.922  15.048
   96    HB1  ALA  13           3HB      ALA  13  -7.505   8.165  12.958
   97    HB2  ALA  13           1HB      ALA  13  -6.534   9.578  12.538
   98    HB3  ALA  13           2HB      ALA  13  -7.606   9.630  13.938
   99    H    ASN  14           H        ASN  14  -4.670   6.416  15.035
  100    HA   ASN  14           HA       ASN  14  -3.483   4.698  14.156
  101    HB2  ASN  14           2HB      ASN  14  -4.274   5.789  11.449
  102    HB3  ASN  14           3HB      ASN  14  -3.620   4.187  11.779
  103   HD21  ASN  14          1HD2      ASN  14  -6.170   5.026  10.574
  104   HD22  ASN  14          2HD2      ASN  14  -7.402   4.265  11.513
  105    HA   PRO  15           HA       PRO  15   0.237   7.241  13.823
  106    HB2  PRO  15           2HB      PRO  15   1.503   4.894  15.036
  107    HB3  PRO  15           3HB      PRO  15   1.371   6.538  15.662
  108    HG2  PRO  15           2HG      PRO  15   0.015   4.476  16.745
  109    HG3  PRO  15           3HG      PRO  15  -0.637   6.125  16.706
  110    HD2  PRO  15           2HD      PRO  15  -1.254   3.799  14.920
  111    HD3  PRO  15           3HD      PRO  15  -2.360   4.988  15.643
  112    HA   PRO  16           HA       PRO  16   2.541   5.547  10.387
  113    HB2  PRO  16           2HB      PRO  16   5.111   5.419  11.466
  114    HB3  PRO  16           3HB      PRO  16   4.401   6.817  10.656
  115    HG2  PRO  16           2HG      PRO  16   4.655   6.238  13.570
  116    HG3  PRO  16           3HG      PRO  16   4.792   7.785  12.713
  117    HD2  PRO  16           2HD      PRO  16   2.599   7.153  14.109
  118    HD3  PRO  16           3HD      PRO  16   2.492   8.055  12.581
  119    H    ALA  17           H        ALA  17   3.366   3.627   9.607
  120    HA   ALA  17           HA       ALA  17   2.858   1.324  11.277
  121    HB1  ALA  17           3HB      ALA  17   3.147   0.034   9.246
  122    HB2  ALA  17           1HB      ALA  17   3.778   1.451   8.406
  123    HB3  ALA  17           2HB      ALA  17   2.095   1.417   8.933
  124    H    SER  18           H        SER  18   4.357  -0.428  11.525
  125    HA   SER  18           HA       SER  18   6.986   0.352  12.218
  126    HB2  SER  18           2HB      SER  18   6.052  -2.476  11.713
  127    HB3  SER  18           3HB      SER  18   7.295  -1.927  12.836
  128    HG   SER  18           HG       SER  18   5.742  -1.127  14.183
  129    H    LYS  19           H        LYS  19   8.929   0.070  11.117
  130    HA   LYS  19           HA       LYS  19   8.824   0.250   8.315
  131    HB2  LYS  19           2HB      LYS  19  10.628   1.235   9.647
  132    HB3  LYS  19           3HB      LYS  19  11.187  -0.370  10.095
  133    HG2  LYS  19           2HG      LYS  19  11.825  -0.847   7.839
  134    HG3  LYS  19           3HG      LYS  19  11.094   0.652   7.266
  135    HD2  LYS  19           2HD      LYS  19  13.384   0.507   9.224
  136    HD3  LYS  19           3HD      LYS  19  13.576   0.747   7.487
  137    HE2  LYS  19           2HE      LYS  19  12.200   2.791   7.650
  138    HE3  LYS  19           3HE      LYS  19  12.094   2.559   9.394
  139    HZ1  LYS  19           3HZ      LYS  19  14.625   2.953   7.887
  140    HZ2  LYS  19           1HZ      LYS  19  14.468   2.833   9.572
  141    HZ3  LYS  19           2HZ      LYS  19  13.809   4.166   8.752
  142    H    GLU  20           H        GLU  20   9.516  -2.477  10.442
  143    HA   GLU  20           HA       GLU  20  10.350  -4.337   8.523
  144    HB2  GLU  20           2HB      GLU  20   8.665  -5.014  10.939
  145    HB3  GLU  20           3HB      GLU  20   9.790  -6.066  10.098
  146    HG2  GLU  20           2HG      GLU  20  10.904  -5.477  12.043
  147    HG3  GLU  20           3HG      GLU  20  11.596  -4.404  10.826
  148    H    SER  21           H        SER  21   7.120  -3.443   9.636
  149    HA   SER  21           HA       SER  21   5.672  -5.442   8.310
  150    HB2  SER  21           2HB      SER  21   4.653  -2.654   8.854
  151    HB3  SER  21           3HB      SER  21   3.745  -4.167   8.846
  152    HG   SER  21           HG       SER  21   4.829  -4.790  10.732
  153    H    ILE  22           H        ILE  22   6.713  -2.226   7.316
  154    HA   ILE  22           HA       ILE  22   5.284  -2.172   4.858
  155    HB   ILE  22           HB       ILE  22   7.765  -0.616   5.614
  156   HG12  ILE  22          2HG1      ILE  22   4.859   0.171   5.940
  157   HG13  ILE  22          3HG1      ILE  22   5.891  -0.391   7.251
  158   HG21  ILE  22          1HG2      ILE  22   7.273  -0.564   3.231
  159   HG22  ILE  22          2HG2      ILE  22   6.959   1.007   3.967
  160   HG23  ILE  22          3HG2      ILE  22   5.617  -0.063   3.571
  161   HD11  ILE  22          3HD1      ILE  22   5.711   2.020   7.265
  162   HD12  ILE  22          1HD1      ILE  22   6.306   2.094   5.608
  163   HD13  ILE  22          2HD1      ILE  22   7.363   1.531   6.900
  164    H    ASP  23           H        ASP  23   8.571  -3.092   5.786
  165    HA   ASP  23           HA       ASP  23   9.466  -3.476   3.104
  166    HB2  ASP  23           2HB      ASP  23  11.018  -2.988   4.958
  167    HB3  ASP  23           3HB      ASP  23  10.633  -4.548   5.680
  168    H    ALA  24           H        ALA  24   7.976  -5.525   5.519
  169    HA   ALA  24           HA       ALA  24   8.572  -7.969   4.119
  170    HB1  ALA  24           3HB      ALA  24   7.258  -9.055   5.842
  171    HB2  ALA  24           1HB      ALA  24   6.689  -7.491   6.421
  172    HB3  ALA  24           2HB      ALA  24   8.393  -7.915   6.560
  173    H    LEU  25           H        LEU  25   6.454  -5.551   3.439
  174    HA   LEU  25           HA       LEU  25   4.083  -6.946   2.815
  175    HB2  LEU  25           2HB      LEU  25   5.267  -4.388   1.762
  176    HB3  LEU  25           3HB      LEU  25   3.721  -5.003   1.208
  177    HG   LEU  25           HG       LEU  25   4.377  -4.259   4.061
  178   HD11  LEU  25          1HD1      LEU  25   2.680  -2.850   2.006
  179   HD12  LEU  25          2HD1      LEU  25   4.254  -2.310   2.594
  180   HD13  LEU  25          3HD1      LEU  25   2.874  -2.375   3.694
  181   HD21  LEU  25          3HD2      LEU  25   1.980  -4.557   4.442
  182   HD22  LEU  25          1HD2      LEU  25   2.735  -6.059   3.907
  183   HD23  LEU  25          2HD2      LEU  25   1.779  -5.100   2.777
  184    HA   PRO  26           HA       PRO  26   5.574  -9.501  -0.491
  185    HB2  PRO  26           2HB      PRO  26   3.070 -10.082  -1.520
  186    HB3  PRO  26           3HB      PRO  26   3.836 -10.932  -0.175
  187    HG2  PRO  26           2HG      PRO  26   1.794  -8.751  -0.122
  188    HG3  PRO  26           3HG      PRO  26   1.916 -10.198   0.896
  189    HD2  PRO  26           2HD      PRO  26   2.666  -7.785   1.792
  190    HD3  PRO  26           3HD      PRO  26   3.548  -9.258   2.249
  191    H    GLU  27           H        GLU  27   6.482  -8.627  -2.226
  192    HA   GLU  27           HA       GLU  27   5.324  -6.370  -3.566
  193    HB2  GLU  27           2HB      GLU  27   7.716  -7.975  -4.452
  194    HB3  GLU  27           3HB      GLU  27   7.332  -6.308  -4.860
  195    HG2  GLU  27           2HG      GLU  27   7.568  -5.781  -2.409
  196    HG3  GLU  27           3HG      GLU  27   8.228  -7.404  -2.212
  197    H    ILE  28           H        ILE  28   3.917  -6.451  -5.161
  198    HA   ILE  28           HA       ILE  28   3.790  -8.883  -6.829
  199    HB   ILE  28           HB       ILE  28   1.560  -6.908  -6.294
  200   HG12  ILE  28          2HG1      ILE  28   1.888  -9.706  -5.188
  201   HG13  ILE  28          3HG1      ILE  28   2.224  -8.237  -4.279
  202   HG21  ILE  28          1HG2      ILE  28   1.372  -8.017  -8.445
  203   HG22  ILE  28          2HG2      ILE  28   0.134  -8.616  -7.340
  204   HG23  ILE  28          3HG2      ILE  28   1.566  -9.591  -7.672
  205   HD11  ILE  28          3HD1      ILE  28  -0.447  -9.030  -5.416
  206   HD12  ILE  28          1HD1      ILE  28  -0.109  -7.569  -4.491
  207   HD13  ILE  28          2HD1      ILE  28   0.043  -9.151  -3.727
  208    H    LEU  29           H        LEU  29   4.489  -8.565  -8.850
  209    HA   LEU  29           HA       LEU  29   4.862  -5.937  -9.935
  210    HB2  LEU  29           2HB      LEU  29   6.381  -7.797 -10.465
  211    HB3  LEU  29           3HB      LEU  29   5.064  -8.650 -11.247
  212    HG   LEU  29           HG       LEU  29   4.922  -6.846 -12.935
  213   HD11  LEU  29          1HD1      LEU  29   7.388  -5.777 -11.568
  214   HD12  LEU  29          2HD1      LEU  29   5.797  -5.015 -11.575
  215   HD13  LEU  29          3HD1      LEU  29   6.699  -5.186 -13.080
  216   HD21  LEU  29          3HD2      LEU  29   7.650  -8.090 -12.622
  217   HD22  LEU  29          1HD2      LEU  29   6.989  -7.419 -14.113
  218   HD23  LEU  29          2HD2      LEU  29   6.245  -8.839 -13.379
  219    H    VAL  30           H        VAL  30   3.343  -4.758 -10.912
  220    HA   VAL  30           HA       VAL  30   0.772  -5.989 -11.436
  221    HB   VAL  30           HB       VAL  30   1.552  -3.084 -11.741
  222   HG11  VAL  30          1HG1      VAL  30  -1.144  -4.424 -11.542
  223   HG12  VAL  30          2HG1      VAL  30  -0.453  -3.671 -12.980
  224   HG13  VAL  30          3HG1      VAL  30  -0.867  -2.682 -11.579
  225   HG21  VAL  30          3HG2      VAL  30   1.910  -3.798  -9.455
  226   HG22  VAL  30          1HG2      VAL  30   0.298  -4.512  -9.402
  227   HG23  VAL  30          2HG2      VAL  30   0.482  -2.764  -9.551
  228    H    THR  31           H        THR  31   0.249  -6.781 -13.322
  229    HA   THR  31           HA       THR  31   1.197  -5.424 -15.748
  230    HB   THR  31           HB       THR  31   0.863  -7.653 -16.903
  231    HG1  THR  31           HG1      THR  31   0.292  -9.338 -15.762
  232   HG21  THR  31          3HG2      THR  31   2.995  -7.505 -14.768
  233   HG22  THR  31          1HG2      THR  31   3.093  -6.803 -16.383
  234   HG23  THR  31          2HG2      THR  31   3.031  -8.555 -16.185
  235    H    GLU  32           H        GLU  32  -0.366  -5.857 -17.633
  236    HA   GLU  32           HA       GLU  32  -2.841  -4.709 -16.838
  237    HB2  GLU  32           2HB      GLU  32  -1.983  -5.810 -19.519
  238    HB3  GLU  32           3HB      GLU  32  -3.376  -4.771 -19.236
  239    HG2  GLU  32           2HG      GLU  32  -2.005  -2.943 -18.629
  240    HG3  GLU  32           3HG      GLU  32  -0.572  -3.963 -18.549
  241    H    ASP  33           H        ASP  33  -1.818  -7.934 -17.613
  242    HA   ASP  33           HA       ASP  33  -4.317  -9.104 -18.161
  243    HB2  ASP  33           2HB      ASP  33  -3.188 -11.252 -17.677
  244    HB3  ASP  33           3HB      ASP  33  -2.243 -10.222 -18.748
  245    H    HIS  34           H        HIS  34  -3.026  -7.995 -15.200
  246    HA   HIS  34           HA       HIS  34  -4.280  -9.945 -13.513
  247    HB2  HIS  34           2HB      HIS  34  -2.661  -7.496 -13.090
  248    HB3  HIS  34           3HB      HIS  34  -3.719  -7.993 -11.772
  249    HD1  HIS  34           HD1      HIS  34  -1.353  -9.935 -14.076
  250    HD2  HIS  34           HD2      HIS  34  -2.299  -9.479 -10.052
  251    HE1  HIS  34           HE1      HIS  34   0.175 -11.497 -12.840
  252    HE2  HIS  34           HE2      HIS  34  -0.619 -11.407 -10.449
  253    H    GLY  35           H        GLY  35  -5.362  -7.080 -15.049
  254    HA2  GLY  35           2HA      GLY  35  -7.446  -6.113 -15.090
  255    HA3  GLY  35           3HA      GLY  35  -8.028  -7.560 -14.280
  256    H    ALA  36           H        ALA  36  -6.231  -4.574 -13.613
  257    HA   ALA  36           HA       ALA  36  -6.350  -3.028 -11.960
  258    HB1  ALA  36           3HB      ALA  36  -8.773  -3.086 -12.440
  259    HB2  ALA  36           1HB      ALA  36  -8.406  -2.686 -10.761
  260    HB3  ALA  36           2HB      ALA  36  -8.962  -4.306 -11.178
  261    H    VAL  37           H        VAL  37  -6.016  -6.243 -11.369
  262    HA   VAL  37           HA       VAL  37  -4.878  -7.394  -9.780
  263    HB   VAL  37           HB       VAL  37  -4.604  -4.748  -8.334
  264   HG11  VAL  37          1HG1      VAL  37  -3.158  -7.362  -7.905
  265   HG12  VAL  37          2HG1      VAL  37  -4.341  -6.643  -6.815
  266   HG13  VAL  37          3HG1      VAL  37  -2.798  -5.838  -7.094
  267   HG21  VAL  37          3HG2      VAL  37  -3.543  -4.733 -10.530
  268   HG22  VAL  37          1HG2      VAL  37  -2.685  -6.223 -10.135
  269   HG23  VAL  37          2HG2      VAL  37  -2.331  -4.742  -9.250
  270    H    GLY  38           H        GLY  38  -6.796  -4.961  -7.965
  271    HA2  GLY  38           2HA      GLY  38  -8.330  -7.171  -6.791
  272    HA3  GLY  38           3HA      GLY  38  -7.424  -6.138  -5.695
  273    H    GLN  39           H        GLN  39  -9.571  -5.743  -4.765
  274    HA   GLN  39           HA       GLN  39 -11.605  -4.377  -6.132
  275    HB2  GLN  39           2HB      GLN  39 -12.378  -3.668  -3.869
  276    HB3  GLN  39           3HB      GLN  39 -12.073  -5.394  -4.002
  277    HG2  GLN  39           2HG      GLN  39  -9.996  -5.178  -2.826
  278    HG3  GLN  39           3HG      GLN  39 -10.126  -3.422  -2.837
  279   HE21  GLN  39          1HE2      GLN  39 -11.357  -6.380  -1.462
  280   HE22  GLN  39          2HE2      GLN  39 -12.137  -5.644  -0.099
  281    H    GLU  40           H        GLU  40  -8.639  -3.266  -4.688
  282    HA   GLU  40           HA       GLU  40  -9.291  -0.469  -4.990
  283    HB2  GLU  40           2HB      GLU  40  -7.494  -1.697  -3.428
  284    HB3  GLU  40           3HB      GLU  40  -6.477  -1.392  -4.825
  285    HG2  GLU  40           2HG      GLU  40  -6.185   0.389  -3.276
  286    HG3  GLU  40           3HG      GLU  40  -7.054   1.005  -4.680
  287    H    MET  41           H        MET  41  -9.435   0.363  -6.951
  288    HA   MET  41           HA       MET  41  -7.973  -0.942  -9.143
  289    HB2  MET  41           2HB      MET  41  -9.659  -0.030 -10.652
  290    HB3  MET  41           3HB      MET  41 -10.417  -0.950  -9.360
  291    HG2  MET  41           2HG      MET  41 -10.918   1.161  -8.195
  292    HG3  MET  41           3HG      MET  41 -10.233   2.047  -9.556
  293    HE1  MET  41           3HE      MET  41 -13.094  -0.317  -8.330
  294    HE2  MET  41           1HE      MET  41 -12.407  -1.251  -9.658
  295    HE3  MET  41           2HE      MET  41 -14.027  -0.570  -9.805
  296    H    CYS  42           H        CYS  42  -7.690   1.684  -7.217
  297    HA   CYS  42           HA       CYS  42  -5.974   3.022  -9.155
  298    HB2  CYS  42           2HB      CYS  42  -8.194   4.441  -7.663
  299    HB3  CYS  42           3HB      CYS  42  -6.897   5.257  -8.526
  300    HG   CYS  42           HG       CYS  42  -8.268   3.135 -10.591
  301    H    CYS  43           H        CYS  43  -4.294   4.177  -8.226
  302    HA   CYS  43           HA       CYS  43  -3.940   3.767  -5.336
  303    HB2  CYS  43           2HB      CYS  43  -2.192   2.786  -6.745
  304    HB3  CYS  43           3HB      CYS  43  -1.912   4.340  -7.518
  305    HA   PRO  44           HA       PRO  44  -5.214   8.133  -5.590
  306    HB2  PRO  44           2HB      PRO  44  -5.646   8.410  -2.905
  307    HB3  PRO  44           3HB      PRO  44  -6.825   7.710  -4.019
  308    HG2  PRO  44           2HG      PRO  44  -4.872   6.330  -2.212
  309    HG3  PRO  44           3HG      PRO  44  -6.580   5.953  -2.507
  310    HD2  PRO  44           2HD      PRO  44  -4.619   4.556  -3.688
  311    HD3  PRO  44           3HD      PRO  44  -6.132   4.927  -4.541
  312    H    ILE  45           H        ILE  45  -2.544   6.702  -4.092
  313    HA   ILE  45           HA       ILE  45  -1.474   9.038  -2.833
  314    HB   ILE  45           HB       ILE  45  -0.037   6.500  -3.640
  315   HG12  ILE  45          2HG1      ILE  45  -1.402   7.220  -1.033
  316   HG13  ILE  45          3HG1      ILE  45  -2.015   6.069  -2.215
  317   HG21  ILE  45          1HG2      ILE  45   1.550   7.105  -1.897
  318   HG22  ILE  45          2HG2      ILE  45   0.629   8.568  -1.547
  319   HG23  ILE  45          3HG2      ILE  45   1.440   8.388  -3.103
  320   HD11  ILE  45          3HD1      ILE  45  -0.963   4.956  -0.331
  321   HD12  ILE  45          1HD1      ILE  45   0.549   5.801  -0.664
  322   HD13  ILE  45          2HD1      ILE  45  -0.085   4.638  -1.828
  323    H    CYS  46           H        CYS  46  -1.206   7.524  -5.999
  324    HA   CYS  46           HA       CYS  46   0.555   9.733  -6.824
  325    HB2  CYS  46           2HB      CYS  46   1.282   8.253  -8.698
  326    HB3  CYS  46           3HB      CYS  46   1.719   7.651  -7.106
  327    H    CYS  47           H        CYS  47  -2.533   8.667  -6.940
  328    HA   CYS  47           HA       CYS  47  -4.394   9.362  -8.021
  329    HB2  CYS  47           2HB      CYS  47  -3.162  11.590  -7.921
  330    HB3  CYS  47           3HB      CYS  47  -2.661  11.284  -9.578
  331    HG   CYS  47           HG       CYS  47  -5.893  11.671  -8.499
  332    H    SER  48           H        SER  48  -2.507   7.296  -9.128
  333    HA   SER  48           HA       SER  48  -3.695   7.185 -11.813
  334    HB2  SER  48           2HB      SER  48  -0.890   6.341 -11.046
  335    HB3  SER  48           3HB      SER  48  -1.629   6.085 -12.627
  336    HG   SER  48           HG       SER  48  -1.672   8.284 -12.955
  337    H    GLU  49           H        GLU  49  -3.916   4.983 -12.657
  338    HA   GLU  49           HA       GLU  49  -4.882   3.249 -10.544
  339    HB2  GLU  49           2HB      GLU  49  -5.790   1.880 -12.402
  340    HB3  GLU  49           3HB      GLU  49  -6.340   3.544 -12.430
  341    HG2  GLU  49           2HG      GLU  49  -4.021   2.644 -14.094
  342    HG3  GLU  49           3HG      GLU  49  -5.686   2.434 -14.635
  343    H    TYR  50           H        TYR  50  -4.611   0.750 -11.610
  344    HA   TYR  50           HA       TYR  50  -1.783   0.299 -11.085
  345    HB2  TYR  50           2HB      TYR  50  -4.175  -1.552 -11.014
  346    HB3  TYR  50           3HB      TYR  50  -2.512  -2.089 -10.749
  347    HD1  TYR  50           HD1      TYR  50  -1.292  -1.420  -8.775
  348    HD2  TYR  50           HD2      TYR  50  -5.313  -0.188  -9.354
  349    HE1  TYR  50           HE1      TYR  50  -1.394  -0.685  -6.437
  350    HE2  TYR  50           HE2      TYR  50  -5.430   0.551  -7.009
  351    HH   TYR  50           HH       TYR  50  -4.184  -0.012  -4.815
  352    H    VAL  51           H        VAL  51  -0.775   0.673 -12.934
  353    HA   VAL  51           HA       VAL  51  -1.609  -0.764 -15.349
  354    HB   VAL  51           HB       VAL  51  -0.060   0.747 -16.551
  355   HG11  VAL  51          1HG1      VAL  51  -1.410   2.754 -16.373
  356   HG12  VAL  51          2HG1      VAL  51  -2.051   2.211 -14.824
  357   HG13  VAL  51          3HG1      VAL  51  -2.435   1.323 -16.299
  358   HG21  VAL  51          3HG2      VAL  51   1.525   1.179 -14.759
  359   HG22  VAL  51          1HG2      VAL  51   0.288   2.046 -13.850
  360   HG23  VAL  51          2HG2      VAL  51   0.872   2.695 -15.382
  361    H    LYS  52           H        LYS  52   0.400  -1.293 -16.784
  362    HA   LYS  52           HA       LYS  52   1.810  -3.327 -15.337
  363    HB2  LYS  52           2HB      LYS  52   0.963  -3.696 -17.605
  364    HB3  LYS  52           3HB      LYS  52   2.014  -2.432 -18.217
  365    HG2  LYS  52           2HG      LYS  52   3.967  -3.746 -17.671
  366    HG3  LYS  52           3HG      LYS  52   2.951  -4.994 -16.943
  367    HD2  LYS  52           2HD      LYS  52   3.591  -5.669 -19.173
  368    HD3  LYS  52           3HD      LYS  52   1.857  -5.338 -19.127
  369    HE2  LYS  52           2HE      LYS  52   2.481  -2.989 -19.949
  370    HE3  LYS  52           3HE      LYS  52   4.058  -3.684 -20.332
  371    HZ1  LYS  52           3HZ      LYS  52   2.800  -3.845 -22.287
  372    HZ2  LYS  52           1HZ      LYS  52   1.417  -4.391 -21.467
  373    HZ3  LYS  52           2HZ      LYS  52   2.764  -5.408 -21.632
  374    H    GLY  53           H        GLY  53   3.695  -3.108 -14.341
  375    HA2  GLY  53           2HA      GLY  53   6.091  -2.549 -14.818
  376    HA3  GLY  53           3HA      GLY  53   5.504  -0.953 -15.258
  377    H    ASP  54           H        ASP  54   3.523  -1.136 -12.985
  378    HA   ASP  54           HA       ASP  54   5.329  -0.022 -10.995
  379    HB2  ASP  54           2HB      ASP  54   3.017   0.939 -11.769
  380    HB3  ASP  54           3HB      ASP  54   2.349  -0.248 -10.657
  381    H    VAL  55           H        VAL  55   5.005  -0.643  -8.682
  382    HA   VAL  55           HA       VAL  55   4.645  -3.564  -8.477
  383    HB   VAL  55           HB       VAL  55   6.388  -1.786  -6.754
  384   HG11  VAL  55          1HG1      VAL  55   6.097  -4.788  -6.825
  385   HG12  VAL  55          2HG1      VAL  55   5.534  -3.716  -5.542
  386   HG13  VAL  55          3HG1      VAL  55   7.262  -3.891  -5.852
  387   HG21  VAL  55          3HG2      VAL  55   7.279  -2.000  -9.021
  388   HG22  VAL  55          1HG2      VAL  55   7.178  -3.755  -8.901
  389   HG23  VAL  55          2HG2      VAL  55   8.284  -2.863  -7.856
  390    H    ALA  56           H        ALA  56   3.033  -4.242  -7.235
  391    HA   ALA  56           HA       ALA  56   1.829  -2.324  -5.348
  392    HB1  ALA  56           3HB      ALA  56  -0.270  -3.542  -5.635
  393    HB2  ALA  56           1HB      ALA  56   0.520  -4.643  -6.763
  394    HB3  ALA  56           2HB      ALA  56   0.333  -2.941  -7.178
  395    H    THR  57           H        THR  57   0.613  -3.478  -3.550
  396    HA   THR  57           HA       THR  57   1.667  -6.059  -2.790
  397    HB   THR  57           HB       THR  57   3.326  -4.394  -1.899
  398    HG1  THR  57           HG1      THR  57   3.093  -6.373  -0.848
  399   HG21  THR  57          3HG2      THR  57   2.666  -3.042   0.054
  400   HG22  THR  57          1HG2      THR  57   0.989  -3.531  -0.188
  401   HG23  THR  57          2HG2      THR  57   1.806  -2.551  -1.407
  402    H    GLU  58           H        GLU  58   0.536  -6.874  -0.824
  403    HA   GLU  58           HA       GLU  58  -2.210  -5.836  -0.814
  404    HB2  GLU  58           2HB      GLU  58  -1.979  -8.131  -1.669
  405    HB3  GLU  58           3HB      GLU  58  -1.224  -8.616  -0.156
  406    HG2  GLU  58           2HG      GLU  58  -3.355  -7.854   0.986
  407    HG3  GLU  58           3HG      GLU  58  -4.063  -7.769  -0.625
  408    H    LEU  59           H        LEU  59  -2.684  -4.706   0.937
  409    HA   LEU  59           HA       LEU  59  -1.426  -5.149   3.486
  410    HB2  LEU  59           2HB      LEU  59  -3.919  -3.586   2.760
  411    HB3  LEU  59           3HB      LEU  59  -3.119  -3.544   4.319
  412    HG   LEU  59           HG       LEU  59  -1.875  -2.607   1.729
  413   HD11  LEU  59          1HD1      LEU  59  -3.732  -1.180   2.376
  414   HD12  LEU  59          2HD1      LEU  59  -2.196  -0.358   2.648
  415   HD13  LEU  59          3HD1      LEU  59  -3.079  -1.048   4.009
  416   HD21  LEU  59          3HD2      LEU  59  -0.972  -2.326   4.593
  417   HD22  LEU  59          1HD2      LEU  59  -0.173  -1.640   3.179
  418   HD23  LEU  59          2HD2      LEU  59  -0.248  -3.389   3.385
  419    HA   PRO  60           HA       PRO  60  -4.237  -8.322   4.979
  420    HB2  PRO  60           2HB      PRO  60  -4.297  -7.700   7.632
  421    HB3  PRO  60           3HB      PRO  60  -2.925  -8.504   6.865
  422    HG2  PRO  60           2HG      PRO  60  -3.285  -5.617   7.555
  423    HG3  PRO  60           3HG      PRO  60  -1.856  -6.646   7.763
  424    HD2  PRO  60           2HD      PRO  60  -2.095  -4.901   5.716
  425    HD3  PRO  60           3HD      PRO  60  -1.237  -6.446   5.551
  426    H    CYS  61           H        CYS  61  -5.567  -6.400   3.703
  427    HA   CYS  61           HA       CYS  61  -7.956  -5.889   5.268
  428    HB2  CYS  61           2HB      CYS  61  -6.419  -3.990   5.761
  429    HB3  CYS  61           3HB      CYS  61  -6.325  -3.645   4.041
  430    H    HIS  62           H        HIS  62  -6.832  -7.258   2.757
  431    HA   HIS  62           HA       HIS  62  -7.365  -7.688   0.604
  432    HB2  HIS  62           2HB      HIS  62 -10.003  -6.603   1.573
  433    HB3  HIS  62           3HB      HIS  62  -9.789  -7.268  -0.042
  434    HD1  HIS  62           HD1      HIS  62  -9.569  -9.811  -0.260
  435    HD2  HIS  62           HD2      HIS  62  -9.928  -8.488   3.666
  436    HE1  HIS  62           HE1      HIS  62  -9.985 -11.871   1.112
  437    HE2  HIS  62           HE2      HIS  62  -9.964 -11.073   3.497
  438    H    HIS  63           H        HIS  63  -6.396  -4.928   1.378
  439    HA   HIS  63           HA       HIS  63  -7.296  -3.506  -1.024
  440    HB2  HIS  63           2HB      HIS  63  -6.631  -2.580   1.714
  441    HB3  HIS  63           3HB      HIS  63  -6.105  -1.545   0.388
  442    HD2  HIS  63           HD2      HIS  63  -8.830  -1.992  -1.477
  443    HE1  HIS  63           HE1      HIS  63 -10.765  -0.152   1.803
  444    HE2  HIS  63           HE2      HIS  63 -10.943  -0.784  -0.613
  445    H    TYR  64           H        TYR  64  -5.924  -3.580  -2.618
  446    HA   TYR  64           HA       TYR  64  -3.093  -4.049  -2.128
  447    HB2  TYR  64           2HB      TYR  64  -4.685  -3.932  -4.702
  448    HB3  TYR  64           3HB      TYR  64  -2.968  -4.307  -4.598
  449    HD1  TYR  64           HD1      TYR  64  -6.361  -5.532  -3.842
  450    HD2  TYR  64           HD2      TYR  64  -2.215  -6.473  -3.931
  451    HE1  TYR  64           HE1      TYR  64  -6.901  -7.912  -3.553
  452    HE2  TYR  64           HE2      TYR  64  -2.745  -8.855  -3.646
  453    HH   TYR  64           HH       TYR  64  -4.656 -10.197  -2.643
  454    H    PHE  65           H        PHE  65  -1.575  -2.519  -2.365
  455    HA   PHE  65           HA       PHE  65  -2.259  -0.044  -3.789
  456    HB2  PHE  65           2HB      PHE  65  -1.097  -0.231  -1.005
  457    HB3  PHE  65           3HB      PHE  65  -0.963   1.218  -1.992
  458    HD1  PHE  65           HD2      PHE  65  -3.072   2.374  -2.728
  459    HD2  PHE  65           HD1      PHE  65  -3.031  -0.685   0.223
  460    HE1  PHE  65           HE2      PHE  65  -5.273   3.122  -1.929
  461    HE2  PHE  65           HE1      PHE  65  -5.238   0.052   1.028
  462    HZ   PHE  65           HZ       PHE  65  -6.360   1.960  -0.051
  463    H    HIS  66           H        HIS  66  -0.416   1.104  -4.594
  464    HA   HIS  66           HA       HIS  66   1.745  -0.531  -5.432
  465    HB2  HIS  66           2HB      HIS  66   1.382   2.469  -5.434
  466    HB3  HIS  66           3HB      HIS  66   2.819   1.685  -6.071
  467    HD2  HIS  66           HD2      HIS  66   1.216  -0.695  -7.770
  468    HE1  HIS  66           HE1      HIS  66  -0.450   2.635  -9.808
  469    HE2  HIS  66           HE2      HIS  66   0.205   0.211  -9.972
  470    H    LYS  67           H        LYS  67   3.477  -1.139  -4.319
  471    HA   LYS  67           HA       LYS  67   3.783  -0.565  -1.611
  472    HB2  LYS  67           2HB      LYS  67   4.678  -2.595  -2.690
  473    HB3  LYS  67           3HB      LYS  67   5.903  -1.619  -3.487
  474    HG2  LYS  67           2HG      LYS  67   6.853  -1.015  -1.327
  475    HG3  LYS  67           3HG      LYS  67   5.601  -1.949  -0.506
  476    HD2  LYS  67           2HD      LYS  67   6.422  -3.991  -1.556
  477    HD3  LYS  67           3HD      LYS  67   7.651  -3.068  -2.422
  478    HE2  LYS  67           2HE      LYS  67   8.617  -2.374  -0.258
  479    HE3  LYS  67           3HE      LYS  67   7.416  -3.364   0.573
  480    HZ1  LYS  67           3HZ      LYS  67   9.675  -4.389   0.240
  481    HZ2  LYS  67           1HZ      LYS  67   9.311  -4.492  -1.411
  482    HZ3  LYS  67           2HZ      LYS  67   8.366  -5.325  -0.274
  483    HA   PRO  68           HA       PRO  68   7.504   2.410  -2.819
  484    HB2  PRO  68           2HB      PRO  68   7.078   3.671  -5.244
  485    HB3  PRO  68           3HB      PRO  68   8.189   2.320  -4.988
  486    HG2  PRO  68           2HG      PRO  68   5.386   2.297  -6.044
  487    HG3  PRO  68           3HG      PRO  68   6.805   1.387  -6.601
  488    HD2  PRO  68           2HD      PRO  68   4.934   0.220  -5.099
  489    HD3  PRO  68           3HD      PRO  68   6.655  -0.148  -4.861
  490    H    CYS  69           H        CYS  69   4.187   2.884  -3.821
  491    HA   CYS  69           HA       CYS  69   4.146   5.699  -3.206
  492    HB2  CYS  69           2HB      CYS  69   1.814   3.817  -3.636
  493    HB3  CYS  69           3HB      CYS  69   1.763   5.575  -3.673
  494    H    VAL  70           H        VAL  70   2.854   2.725  -1.762
  495    HA   VAL  70           HA       VAL  70   1.538   4.119   0.348
  496    HB   VAL  70           HB       VAL  70   0.811   1.907  -0.635
  497   HG11  VAL  70          1HG1      VAL  70   1.750  -0.135   0.345
  498   HG12  VAL  70          2HG1      VAL  70   3.004   0.830   1.123
  499   HG13  VAL  70          3HG1      VAL  70   2.924   0.741  -0.636
  500   HG21  VAL  70          3HG2      VAL  70  -0.209   2.796   1.369
  501   HG22  VAL  70          1HG2      VAL  70   1.069   2.093   2.359
  502   HG23  VAL  70          2HG2      VAL  70  -0.052   1.042   1.492
  503    H    SER  71           H        SER  71   4.688   2.673  -0.037
  504    HA   SER  71           HA       SER  71   5.423   2.375   2.645
  505    HB2  SER  71           2HB      SER  71   6.780   1.523   0.769
  506    HB3  SER  71           3HB      SER  71   7.174   3.178   0.305
  507    HG   SER  71           HG       SER  71   8.822   2.205   1.581
  508    H    ILE  72           H        ILE  72   5.582   5.189   0.507
  509    HA   ILE  72           HA       ILE  72   6.881   6.933   2.305
  510    HB   ILE  72           HB       ILE  72   4.910   7.690   0.139
  511   HG12  ILE  72          2HG1      ILE  72   7.911   7.335  -0.042
  512   HG13  ILE  72          3HG1      ILE  72   6.717   6.236  -0.721
  513   HG21  ILE  72          1HG2      ILE  72   5.384   9.529   1.628
  514   HG22  ILE  72          2HG2      ILE  72   6.190   9.803   0.083
  515   HG23  ILE  72          3HG2      ILE  72   7.119   9.246   1.476
  516   HD11  ILE  72          3HD1      ILE  72   7.137   9.105  -1.526
  517   HD12  ILE  72          1HD1      ILE  72   5.929   8.012  -2.201
  518   HD13  ILE  72          2HD1      ILE  72   7.645   7.680  -2.430
  519    H    TRP  73           H        TRP  73   3.529   6.080   1.792
  520    HA   TRP  73           HA       TRP  73   2.420   8.087   3.481
  521    HB2  TRP  73           2HB      TRP  73   1.121   7.036   1.676
  522    HB3  TRP  73           3HB      TRP  73   1.240   5.479   2.487
  523    HD1  TRP  73           HD1      TRP  73  -0.518   4.947   4.336
  524    HE1  TRP  73           HE1      TRP  73  -2.559   6.199   5.287
  525    HE3  TRP  73           HE3      TRP  73   0.287   9.522   2.208
  526    HZ2  TRP  73           HZ2      TRP  73  -3.674   8.786   5.140
  527    HZ3  TRP  73           HZ3      TRP  73  -1.319  11.335   2.662
  528    HH2  TRP  73           HH2      TRP  73  -3.257  10.968   4.100
  529    H    LEU  74           H        LEU  74   3.012   4.606   3.871
  530    HA   LEU  74           HA       LEU  74   1.868   4.338   6.409
  531    HB2  LEU  74           2HB      LEU  74   4.074   2.725   5.140
  532    HB3  LEU  74           3HB      LEU  74   3.159   2.242   6.555
  533    HG   LEU  74           HG       LEU  74   2.008   2.666   3.797
  534   HD11  LEU  74          1HD1      LEU  74   3.434   0.695   3.923
  535   HD12  LEU  74          2HD1      LEU  74   1.734   0.249   3.768
  536   HD13  LEU  74          3HD1      LEU  74   2.536   0.133   5.334
  537   HD21  LEU  74          3HD2      LEU  74   0.728   1.619   6.319
  538   HD22  LEU  74          1HD2      LEU  74  -0.030   1.696   4.728
  539   HD23  LEU  74          2HD2      LEU  74   0.407   3.183   5.569
  540    H    GLN  75           H        GLN  75   5.120   5.295   5.479
  541    HA   GLN  75           HA       GLN  75   6.307   4.951   8.020
  542    HB2  GLN  75           2HB      GLN  75   7.044   6.530   5.583
  543    HB3  GLN  75           3HB      GLN  75   7.982   6.681   7.064
  544    HG2  GLN  75           2HG      GLN  75   8.507   4.338   7.033
  545    HG3  GLN  75           3HG      GLN  75   7.444   4.080   5.652
  546   HE21  GLN  75          1HE2      GLN  75   8.119   4.648   3.624
  547   HE22  GLN  75          2HE2      GLN  75   9.753   5.088   3.266
  548    H    LYS  76           H        LYS  76   4.178   7.378   6.828
  549    HA   LYS  76           HA       LYS  76   4.791   9.042   9.182
  550    HB2  LYS  76           2HB      LYS  76   3.404   9.786   6.602
  551    HB3  LYS  76           3HB      LYS  76   3.563  10.857   7.987
  552    HG2  LYS  76           2HG      LYS  76   6.004  10.732   7.782
  553    HG3  LYS  76           3HG      LYS  76   5.817   9.698   6.367
  554    HD2  LYS  76           2HD      LYS  76   4.660  12.474   6.557
  555    HD3  LYS  76           3HD      LYS  76   6.255  12.133   5.889
  556    HE2  LYS  76           2HE      LYS  76   4.872  12.234   4.016
  557    HE3  LYS  76           3HE      LYS  76   5.045  10.510   4.323
  558    HZ1  LYS  76           3HZ      LYS  76   2.880  10.516   5.396
  559    HZ2  LYS  76           1HZ      LYS  76   2.762  11.115   3.816
  560    HZ3  LYS  76           2HZ      LYS  76   2.723  12.179   5.136
  561    H    SER  77           H        SER  77   2.513   6.954   7.779
  562    HA   SER  77           HA       SER  77   0.847   6.939  10.058
  563    HB2  SER  77           2HB      SER  77   0.043   9.066   9.023
  564    HB3  SER  77           3HB      SER  77  -0.388   8.161   7.570
  565    HG   SER  77           HG       SER  77  -1.419   7.517  10.140
  566    H    GLY  78           H        GLY  78   0.357   4.840  10.175
  567    HA2  GLY  78           2HA      GLY  78   0.405   3.217   7.762
  568    HA3  GLY  78           3HA      GLY  78   0.263   2.638   9.418
  569    H    THR  79           H        THR  79  -1.451   3.809   6.626
  570    HA   THR  79           HA       THR  79  -3.918   2.687   7.687
  571    HB   THR  79           HB       THR  79  -5.113   4.811   6.774
  572    HG1  THR  79           HG1      THR  79  -2.678   6.031   7.593
  573   HG21  THR  79          3HG2      THR  79  -3.635   4.887   9.396
  574   HG22  THR  79          1HG2      THR  79  -5.196   4.118   9.102
  575   HG23  THR  79          2HG2      THR  79  -5.034   5.871   8.969
  576    H    CYS  80           H        CYS  80  -5.421   2.079   6.086
  577    HA   CYS  80           HA       CYS  80  -4.724   2.234   3.300
  578    HB2  CYS  80           2HB      CYS  80  -7.289   1.594   4.755
  579    HB3  CYS  80           3HB      CYS  80  -7.254   1.771   3.015
  580    HA   PRO  81           HA       PRO  81  -5.719   6.653   3.288
  581    HB2  PRO  81           2HB      PRO  81  -5.505   6.904   0.533
  582    HB3  PRO  81           3HB      PRO  81  -4.174   7.078   1.678
  583    HG2  PRO  81           2HG      PRO  81  -4.948   4.724   0.015
  584    HG3  PRO  81           3HG      PRO  81  -3.331   5.329   0.423
  585    HD2  PRO  81           2HD      PRO  81  -4.380   3.179   1.643
  586    HD3  PRO  81           3HD      PRO  81  -3.357   4.338   2.520
  587    H    VAL  82           H        VAL  82  -7.337   4.085   1.713
  588    HA   VAL  82           HA       VAL  82  -9.519   5.730   0.746
  589    HB   VAL  82           HB       VAL  82  -9.070   2.745   0.657
  590   HG11  VAL  82          1HG1      VAL  82 -10.948   2.646  -0.900
  591   HG12  VAL  82          2HG1      VAL  82 -11.242   4.370  -0.664
  592   HG13  VAL  82          3HG1      VAL  82 -11.464   3.246   0.676
  593   HG21  VAL  82          3HG2      VAL  82  -7.522   4.022  -0.721
  594   HG22  VAL  82          1HG2      VAL  82  -8.873   4.856  -1.486
  595   HG23  VAL  82          2HG2      VAL  82  -8.660   3.122  -1.726
  596    H    CYS  83           H        CYS  83  -9.022   3.206   3.242
  597    HA   CYS  83           HA       CYS  83 -11.829   3.605   4.031
  598    HB2  CYS  83           2HB      CYS  83 -11.838   1.353   4.873
  599    HB3  CYS  83           3HB      CYS  83 -11.175   1.328   3.241
  600    H    ARG  84           H        ARG  84  -8.760   4.411   5.054
  601    HA   ARG  84           HA       ARG  84  -8.015   5.446   6.928
  602    HB2  ARG  84           2HB      ARG  84 -10.945   5.384   7.507
  603    HB3  ARG  84           3HB      ARG  84  -9.839   5.827   8.792
  604    HG2  ARG  84           2HG      ARG  84 -10.610   7.829   7.821
  605    HG3  ARG  84           3HG      ARG  84  -8.947   7.613   7.277
  606    HD2  ARG  84           2HD      ARG  84  -9.620   7.006   5.112
  607    HD3  ARG  84           3HD      ARG  84 -11.283   6.705   5.621
  608    HE   ARG  84           HE       ARG  84 -11.328   9.208   6.071
  609   HH11  ARG  84          1HH1      ARG  84  -9.372   7.769   3.539
  610   HH12  ARG  84          2HH1      ARG  84  -9.399   9.187   2.546
  611   HH21  ARG  84          1HH2      ARG  84 -11.359  11.064   4.763
  612   HH22  ARG  84          2HH2      ARG  84 -10.516  11.069   3.241
  613    H    CYS  85           H        CYS  85  -8.492   2.326   6.794
  614    HA   CYS  85           HA       CYS  85  -8.581   1.641   9.599
  615    HB2  CYS  85           2HB      CYS  85  -8.342  -0.636   8.911
  616    HB3  CYS  85           3HB      CYS  85  -9.416   0.133   7.747
  617    HG   CYS  85           HG       CYS  85  -6.193  -0.863   7.310
  618    H    MET  86           H        MET  86  -6.853   0.698  10.793
  619    HA   MET  86           HA       MET  86  -4.343   2.040  10.288
  620    HB2  MET  86           2HB      MET  86  -5.335   1.899  12.554
  621    HB3  MET  86           3HB      MET  86  -5.118   0.156  12.521
  622    HG2  MET  86           2HG      MET  86  -2.647   0.608  12.194
  623    HG3  MET  86           3HG      MET  86  -3.002   2.286  12.592
  624    HE1  MET  86           3HE      MET  86  -5.331   1.870  14.757
  625    HE2  MET  86           1HE      MET  86  -4.031   3.039  14.985
  626    HE3  MET  86           2HE      MET  86  -4.416   1.889  16.267
  627    H    PHE  87           H        PHE  87  -2.407   1.148   9.825
  628    HA   PHE  87           HA       PHE  87  -2.171  -1.771   9.689
  629    HB2  PHE  87           2HB      PHE  87  -2.448  -1.131   7.382
  630    HB3  PHE  87           3HB      PHE  87  -1.297   0.191   7.553
  631    HD1  PHE  87           HD1      PHE  87  -1.580  -3.505   7.687
  632    HD2  PHE  87           HD2      PHE  87   0.962  -0.147   7.101
  633    HE1  PHE  87           HE1      PHE  87   0.241  -5.008   6.990
  634    HE2  PHE  87           HE2      PHE  87   2.784  -1.641   6.399
  635    HZ   PHE  87           HZ       PHE  87   2.426  -4.075   6.346
  636    HA   PRO  88           HA       PRO  88  -0.876  -3.340  10.120
  637    HB2  PRO  88           2HB      PRO  88   0.057  -3.807  12.870
  638    HB3  PRO  88           3HB      PRO  88   0.418  -4.710  11.396
  639    HG2  PRO  88           2HG      PRO  88   2.264  -3.178  12.610
  640    HG3  PRO  88           3HG      PRO  88   2.206  -3.363  10.847
  641    HD2  PRO  88           2HD      PRO  88   1.231  -1.098  12.551
  642    HD3  PRO  88           3HD      PRO  88   2.091  -1.052  10.996
  643    HA   PRO  89           HA       PRO  89  -4.753  -2.598  12.049
  644    HB2  PRO  89           2HB      PRO  89  -5.439  -5.201  12.739
  645    HB3  PRO  89           3HB      PRO  89  -5.706  -4.462  11.159
  646    HG2  PRO  89           2HG      PRO  89  -3.516  -6.275  12.058
  647    HG3  PRO  89           3HG      PRO  89  -4.354  -6.211  10.497
  648    HD2  PRO  89           2HD      PRO  89  -1.890  -5.200  10.803
  649    HD3  PRO  89           3HD      PRO  89  -3.087  -4.421   9.745
  650    HA   PRO  90           HA       PRO  90  -3.975  -2.589  16.405
  651    HB2  PRO  90           2HB      PRO  90  -6.317  -1.611  17.264
  652    HB3  PRO  90           3HB      PRO  90  -5.190  -0.618  16.332
  653    HG2  PRO  90           2HG      PRO  90  -7.691  -1.986  15.453
  654    HG3  PRO  90           3HG      PRO  90  -7.045  -0.406  14.978
  655    HD2  PRO  90           2HD      PRO  90  -6.804  -2.747  13.501
  656    HD3  PRO  90           3HD      PRO  90  -5.789  -1.309  13.309
  657    H    LEU  91           H        LEU  91  -4.360  -3.843  18.201
  658    HA   LEU  91           HA       LEU  91  -5.929  -6.232  17.746
  659    HB2  LEU  91           2HB      LEU  91  -4.188  -5.439  20.085
  660    HB3  LEU  91           3HB      LEU  91  -4.959  -7.002  19.889
  661    HG   LEU  91           HG       LEU  91  -2.812  -5.849  18.105
  662   HD11  LEU  91          1HD1      LEU  91  -2.760  -8.150  20.050
  663   HD12  LEU  91          2HD1      LEU  91  -1.988  -6.581  20.279
  664   HD13  LEU  91          3HD1      LEU  91  -1.437  -7.654  18.993
  665   HD21  LEU  91          3HD2      LEU  91  -4.219  -8.514  17.990
  666   HD22  LEU  91          1HD2      LEU  91  -2.838  -8.035  17.005
  667   HD23  LEU  91          2HD2      LEU  91  -4.382  -7.202  16.823
  Start of MODEL    5
    1    H1   MET   1           1H       MET   1 -14.989   6.877  39.048
    2    H2   MET   1           2H       MET   1 -15.483   5.767  37.868
    3    H3   MET   1           3H       MET   1 -16.161   7.323  37.904
    4    HA   MET   1           HA       MET   1 -14.574   7.187  36.137
    5    HB2  MET   1           2HB      MET   1 -14.784   9.313  37.359
    6    HB3  MET   1           3HB      MET   1 -13.548   8.787  38.492
    7    HG2  MET   1           2HG      MET   1 -11.918   8.712  36.659
    8    HG3  MET   1           3HG      MET   1 -13.160   9.288  35.549
    9    HE1  MET   1           3HE      MET   1 -10.973  10.144  38.695
   10    HE2  MET   1           1HE      MET   1 -12.619  10.372  39.284
   11    HE3  MET   1           2HE      MET   1 -11.549  11.762  39.098
   12    H    GLY   2           H        GLY   2 -12.977   5.998  35.346
   13    HA2  GLY   2           2HA      GLY   2 -11.105   4.760  37.260
   14    HA3  GLY   2           3HA      GLY   2 -11.541   4.083  35.697
   15    H    HIS   3           H        HIS   3 -10.310   4.547  33.964
   16    HA   HIS   3           HA       HIS   3  -7.920   6.127  34.463
   17    HB2  HIS   3           2HB      HIS   3  -7.786   3.848  33.433
   18    HB3  HIS   3           3HB      HIS   3  -8.624   4.483  32.022
   19    HD1  HIS   3           HD1      HIS   3  -5.451   5.261  33.989
   20    HD2  HIS   3           HD2      HIS   3  -6.929   5.336  30.098
   21    HE1  HIS   3           HE1      HIS   3  -3.528   5.992  32.544
   22    HE2  HIS   3           HE2      HIS   3  -4.383   5.801  30.183
   23    H    HIS   4           H        HIS   4 -10.971   6.634  33.195
   24    HA   HIS   4           HA       HIS   4 -10.374   8.478  31.121
   25    HB2  HIS   4           2HB      HIS   4 -12.806   8.229  32.905
   26    HB3  HIS   4           3HB      HIS   4 -12.698   9.348  31.550
   27    HD1  HIS   4           HD1      HIS   4 -14.912   7.380  31.361
   28    HD2  HIS   4           HD2      HIS   4 -11.074   6.505  30.012
   29    HE1  HIS   4           HE1      HIS   4 -15.182   5.511  29.698
   30    HE2  HIS   4           HE2      HIS   4 -12.831   4.859  29.063
   31    H    HIS   5           H        HIS   5  -9.809  10.582  31.187
   32    HA   HIS   5           HA       HIS   5  -9.589  11.849  33.835
   33    HB2  HIS   5           2HB      HIS   5  -7.466  10.648  33.189
   34    HB3  HIS   5           3HB      HIS   5  -7.340  11.724  31.806
   35    HD1  HIS   5           HD1      HIS   5  -6.304  14.000  32.198
   36    HD2  HIS   5           HD2      HIS   5  -7.074  11.927  35.723
   37    HE1  HIS   5           HE1      HIS   5  -5.137  15.287  34.012
   38    HE2  HIS   5           HE2      HIS   5  -5.434  13.898  36.091
   39    H    HIS   6           H        HIS   6 -11.004  12.105  31.019
   40    HA   HIS   6           HA       HIS   6 -11.758  13.758  29.645
   41    HB2  HIS   6           2HB      HIS   6 -12.174  15.032  31.724
   42    HB3  HIS   6           3HB      HIS   6 -10.519  15.620  31.699
   43    HD1  HIS   6           HD1      HIS   6 -10.436  17.959  30.974
   44    HD2  HIS   6           HD2      HIS   6 -13.457  15.869  29.025
   45    HE1  HIS   6           HE1      HIS   6 -11.534  19.626  29.444
   46    HE2  HIS   6           HE2      HIS   6 -13.234  18.298  28.143
   47    H    HIS   7           H        HIS   7  -9.332  12.447  29.243
   48    HA   HIS   7           HA       HIS   7  -7.510  14.502  28.201
   49    HB2  HIS   7           2HB      HIS   7  -6.502  13.010  29.839
   50    HB3  HIS   7           3HB      HIS   7  -7.030  11.602  28.928
   51    HD1  HIS   7           HD1      HIS   7  -5.133  10.558  27.783
   52    HD2  HIS   7           HD2      HIS   7  -4.752  14.699  27.912
   53    HE1  HIS   7           HE1      HIS   7  -2.988  11.081  26.574
   54    HE2  HIS   7           HE2      HIS   7  -2.794  13.595  26.619
   55    H    HIS   8           H        HIS   8  -7.304  14.751  26.086
   56    HA   HIS   8           HA       HIS   8  -8.674  13.188  24.157
   57    HB2  HIS   8           2HB      HIS   8  -6.329  15.083  23.828
   58    HB3  HIS   8           3HB      HIS   8  -7.255  14.406  22.496
   59    HD1  HIS   8           HD1      HIS   8  -7.825  16.862  21.796
   60    HD2  HIS   8           HD2      HIS   8  -9.334  15.707  25.493
   61    HE1  HIS   8           HE1      HIS   8  -9.546  18.595  22.403
   62    HE2  HIS   8           HE2      HIS   8 -10.245  18.006  24.751
   63    H    SER   9           H        SER   9  -8.174  11.114  23.682
   64    HA   SER   9           HA       SER   9  -5.339  10.360  23.751
   65    HB2  SER   9           2HB      SER   9  -6.447   9.766  25.895
   66    HB3  SER   9           3HB      SER   9  -7.572   8.746  24.999
   67    HG   SER   9           HG       SER   9  -5.752   7.603  25.894
   68    H    HIS  10           H        HIS  10  -4.908   9.883  21.727
   69    HA   HIS  10           HA       HIS  10  -4.551   8.453  20.029
   70    HB2  HIS  10           2HB      HIS  10  -6.505   6.699  21.505
   71    HB3  HIS  10           3HB      HIS  10  -5.641   6.193  20.057
   72    HD1  HIS  10           HD1      HIS  10  -2.943   6.207  20.292
   73    HD2  HIS  10           HD2      HIS  10  -5.127   6.350  23.829
   74    HE1  HIS  10           HE1      HIS  10  -1.327   5.578  22.118
   75    HE2  HIS  10           HE2      HIS  10  -2.628   5.857  24.259
   76    H    MET  11           H        MET  11  -7.946   9.131  20.664
   77    HA   MET  11           HA       MET  11  -8.897   8.246  18.144
   78    HB2  MET  11           2HB      MET  11 -10.962   9.355  18.696
   79    HB3  MET  11           3HB      MET  11 -10.339   8.558  20.132
   80    HG2  MET  11           2HG      MET  11  -9.530  10.670  20.993
   81    HG3  MET  11           3HG      MET  11 -10.048  11.492  19.523
   82    HE1  MET  11           3HE      MET  11 -12.626  11.712  18.791
   83    HE2  MET  11           1HE      MET  11 -13.962  11.079  19.755
   84    HE3  MET  11           2HE      MET  11 -12.835   9.971  18.973
   85    H    VAL  12           H        VAL  12  -6.916  10.796  18.816
   86    HA   VAL  12           HA       VAL  12  -8.077  12.811  17.147
   87    HB   VAL  12           HB       VAL  12  -5.234  12.628  18.156
   88   HG11  VAL  12          1HG1      VAL  12  -5.514  14.225  16.343
   89   HG12  VAL  12          2HG1      VAL  12  -5.225  15.060  17.871
   90   HG13  VAL  12          3HG1      VAL  12  -6.855  14.983  17.201
   91   HG21  VAL  12          3HG2      VAL  12  -6.807  12.504  20.012
   92   HG22  VAL  12          1HG2      VAL  12  -7.635  13.945  19.422
   93   HG23  VAL  12          2HG2      VAL  12  -5.973  14.058  20.001
   94    H    ALA  13           H        ALA  13  -5.377  10.514  16.794
   95    HA   ALA  13           HA       ALA  13  -5.682  10.489  13.942
   96    HB1  ALA  13           3HB      ALA  13  -4.407  12.568  14.212
   97    HB2  ALA  13           1HB      ALA  13  -3.473  11.330  13.373
   98    HB3  ALA  13           2HB      ALA  13  -3.150  11.678  15.071
   99    H    ASN  14           H        ASN  14  -4.006   9.076  12.914
  100    HA   ASN  14           HA       ASN  14  -3.475   6.817  14.697
  101    HB2  ASN  14           2HB      ASN  14  -3.531   7.018  11.676
  102    HB3  ASN  14           3HB      ASN  14  -3.104   5.557  12.555
  103   HD21  ASN  14          1HD2      ASN  14  -4.784   4.386  11.708
  104   HD22  ASN  14          2HD2      ASN  14  -6.433   4.651  12.149
  105    HA   PRO  15           HA       PRO  15   0.895   7.616  14.553
  106    HB2  PRO  15           2HB      PRO  15   1.811   5.210  15.346
  107    HB3  PRO  15           3HB      PRO  15   0.969   6.301  16.454
  108    HG2  PRO  15           2HG      PRO  15  -0.084   3.917  14.976
  109    HG3  PRO  15           3HG      PRO  15  -0.354   4.395  16.663
  110    HD2  PRO  15           2HD      PRO  15  -2.148   4.870  14.665
  111    HD3  PRO  15           3HD      PRO  15  -1.993   5.902  16.100
  112    HA   PRO  16           HA       PRO  16   2.404   5.895  10.719
  113    HB2  PRO  16           2HB      PRO  16   5.157   6.215  11.483
  114    HB3  PRO  16           3HB      PRO  16   4.184   7.256  10.445
  115    HG2  PRO  16           2HG      PRO  16   5.131   7.981  12.923
  116    HG3  PRO  16           3HG      PRO  16   3.720   8.708  12.136
  117    HD2  PRO  16           2HD      PRO  16   3.835   6.614  14.269
  118    HD3  PRO  16           3HD      PRO  16   2.704   7.973  14.081
  119    H    ALA  17           H        ALA  17   3.615   4.151   9.796
  120    HA   ALA  17           HA       ALA  17   4.105   1.971  11.709
  121    HB1  ALA  17           3HB      ALA  17   3.784   0.453   9.830
  122    HB2  ALA  17           1HB      ALA  17   3.601   1.825   8.735
  123    HB3  ALA  17           2HB      ALA  17   2.401   1.535   9.995
  124    H    SER  18           H        SER  18   5.914   0.509  11.225
  125    HA   SER  18           HA       SER  18   8.259   2.033  10.436
  126    HB2  SER  18           2HB      SER  18   8.244   0.668  12.527
  127    HB3  SER  18           3HB      SER  18   8.086  -0.783  11.537
  128    HG   SER  18           HG       SER  18  10.304   0.505  12.224
  129    H    LYS  19           H        LYS  19   9.873   1.097   8.997
  130    HA   LYS  19           HA       LYS  19   8.831   0.434   6.494
  131    HB2  LYS  19           2HB      LYS  19  11.000   1.460   6.695
  132    HB3  LYS  19           3HB      LYS  19  11.619   0.094   7.611
  133    HG2  LYS  19           2HG      LYS  19  11.305  -1.331   5.615
  134    HG3  LYS  19           3HG      LYS  19  10.816   0.104   4.712
  135    HD2  LYS  19           2HD      LYS  19  13.109  -0.214   4.242
  136    HD3  LYS  19           3HD      LYS  19  13.016   1.121   5.388
  137    HE2  LYS  19           2HE      LYS  19  14.829  -0.353   5.994
  138    HE3  LYS  19           3HE      LYS  19  13.560  -0.422   7.213
  139    HZ1  LYS  19           3HZ      LYS  19  12.878  -2.522   6.472
  140    HZ2  LYS  19           1HZ      LYS  19  14.564  -2.603   6.502
  141    HZ3  LYS  19           2HZ      LYS  19  13.752  -2.414   5.026
  142    H    GLU  20           H        GLU  20  10.353  -1.615   8.929
  143    HA   GLU  20           HA       GLU  20  10.583  -4.010   7.673
  144    HB2  GLU  20           2HB      GLU  20   9.494  -3.705  10.473
  145    HB3  GLU  20           3HB      GLU  20  10.357  -5.091   9.822
  146    HG2  GLU  20           2HG      GLU  20  11.439  -2.359  10.423
  147    HG3  GLU  20           3HG      GLU  20  11.882  -3.894  11.168
  148    H    SER  21           H        SER  21   7.623  -2.952   9.365
  149    HA   SER  21           HA       SER  21   6.137  -5.256   8.753
  150    HB2  SER  21           2HB      SER  21   4.191  -3.482   9.230
  151    HB3  SER  21           3HB      SER  21   5.194  -4.158  10.515
  152    HG   SER  21           HG       SER  21   5.682  -1.701   9.159
  153    H    ILE  22           H        ILE  22   6.838  -2.448   6.872
  154    HA   ILE  22           HA       ILE  22   4.651  -2.888   5.002
  155    HB   ILE  22           HB       ILE  22   6.996  -1.004   4.704
  156   HG12  ILE  22          2HG1      ILE  22   4.266  -0.364   5.839
  157   HG13  ILE  22          3HG1      ILE  22   5.704  -0.618   6.823
  158   HG21  ILE  22          1HG2      ILE  22   5.509   0.197   3.181
  159   HG22  ILE  22          2HG2      ILE  22   4.251  -1.008   3.453
  160   HG23  ILE  22          3HG2      ILE  22   5.753  -1.469   2.653
  161   HD11  ILE  22          3HD1      ILE  22   6.778   1.290   5.746
  162   HD12  ILE  22          1HD1      ILE  22   5.256   1.747   6.510
  163   HD13  ILE  22          2HD1      ILE  22   5.337   1.543   4.760
  164    H    ASP  23           H        ASP  23   8.124  -3.320   5.235
  165    HA   ASP  23           HA       ASP  23   8.558  -4.083   2.540
  166    HB2  ASP  23           2HB      ASP  23  10.369  -3.254   3.957
  167    HB3  ASP  23           3HB      ASP  23  10.199  -4.649   5.017
  168    H    ALA  24           H        ALA  24   7.636  -5.815   5.422
  169    HA   ALA  24           HA       ALA  24   8.093  -8.440   4.479
  170    HB1  ALA  24           3HB      ALA  24   6.668  -9.153   6.311
  171    HB2  ALA  24           1HB      ALA  24   6.085  -7.501   6.523
  172    HB3  ALA  24           2HB      ALA  24   7.774  -7.889   6.849
  173    H    LEU  25           H        LEU  25   5.686  -6.120   3.734
  174    HA   LEU  25           HA       LEU  25   3.589  -7.862   2.953
  175    HB2  LEU  25           2HB      LEU  25   4.237  -5.057   2.039
  176    HB3  LEU  25           3HB      LEU  25   2.740  -5.899   1.698
  177    HG   LEU  25           HG       LEU  25   3.714  -5.173   4.462
  178   HD11  LEU  25          1HD1      LEU  25   1.588  -3.903   2.741
  179   HD12  LEU  25          2HD1      LEU  25   3.141  -3.189   3.175
  180   HD13  LEU  25          3HD1      LEU  25   1.931  -3.497   4.421
  181   HD21  LEU  25          3HD2      LEU  25   1.435  -5.781   5.146
  182   HD22  LEU  25          1HD2      LEU  25   2.305  -7.153   4.459
  183   HD23  LEU  25          2HD2      LEU  25   1.090  -6.309   3.498
  184    HA   PRO  26           HA       PRO  26   5.078  -9.676  -0.740
  185    HB2  PRO  26           2HB      PRO  26   2.751  -9.734  -2.214
  186    HB3  PRO  26           3HB      PRO  26   3.166 -10.892  -0.947
  187    HG2  PRO  26           2HG      PRO  26   1.418  -8.469  -0.803
  188    HG3  PRO  26           3HG      PRO  26   1.168 -10.075  -0.094
  189    HD2  PRO  26           2HD      PRO  26   2.021  -8.021   1.391
  190    HD3  PRO  26           3HD      PRO  26   2.634  -9.668   1.657
  191    H    GLU  27           H        GLU  27   5.485  -9.333  -2.972
  192    HA   GLU  27           HA       GLU  27   5.071  -6.544  -3.844
  193    HB2  GLU  27           2HB      GLU  27   7.455  -8.299  -4.451
  194    HB3  GLU  27           3HB      GLU  27   7.238  -6.625  -4.942
  195    HG2  GLU  27           2HG      GLU  27   7.246  -5.949  -2.584
  196    HG3  GLU  27           3HG      GLU  27   7.519  -7.629  -2.121
  197    H    ILE  28           H        ILE  28   3.655  -6.527  -5.423
  198    HA   ILE  28           HA       ILE  28   3.458  -8.851  -7.213
  199    HB   ILE  28           HB       ILE  28   1.439  -6.647  -6.756
  200   HG12  ILE  28          2HG1      ILE  28   1.439  -9.466  -5.653
  201   HG13  ILE  28          3HG1      ILE  28   1.853  -8.030  -4.723
  202   HG21  ILE  28          1HG2      ILE  28   1.197  -9.312  -8.148
  203   HG22  ILE  28          2HG2      ILE  28   1.219  -7.726  -8.922
  204   HG23  ILE  28          3HG2      ILE  28  -0.124  -8.176  -7.870
  205   HD11  ILE  28          3HD1      ILE  28  -0.814  -8.604  -5.990
  206   HD12  ILE  28          1HD1      ILE  28  -0.402  -7.164  -5.059
  207   HD13  ILE  28          2HD1      ILE  28  -0.419  -8.745  -4.277
  208    H    LEU  29           H        LEU  29   4.043  -8.644  -9.288
  209    HA   LEU  29           HA       LEU  29   4.725  -6.033 -10.355
  210    HB2  LEU  29           2HB      LEU  29   6.119  -8.005 -10.864
  211    HB3  LEU  29           3HB      LEU  29   4.756  -8.756 -11.672
  212    HG   LEU  29           HG       LEU  29   4.763  -6.951 -13.353
  213   HD11  LEU  29          1HD1      LEU  29   7.247  -6.020 -11.920
  214   HD12  LEU  29          2HD1      LEU  29   5.702  -5.172 -11.976
  215   HD13  LEU  29          3HD1      LEU  29   6.641  -5.393 -13.452
  216   HD21  LEU  29          3HD2      LEU  29   7.412  -8.342 -12.985
  217   HD22  LEU  29          1HD2      LEU  29   6.834  -7.613 -14.483
  218   HD23  LEU  29          2HD2      LEU  29   5.990  -9.000 -13.795
  219    H    VAL  30           H        VAL  30   3.263  -4.759 -11.288
  220    HA   VAL  30           HA       VAL  30   0.597  -5.730 -11.707
  221    HB   VAL  30           HB       VAL  30   1.732  -3.002 -12.337
  222   HG11  VAL  30          1HG1      VAL  30  -1.115  -3.948 -12.017
  223   HG12  VAL  30          2HG1      VAL  30  -0.342  -3.448 -13.521
  224   HG13  VAL  30          3HG1      VAL  30  -0.610  -2.271 -12.236
  225   HG21  VAL  30          3HG2      VAL  30   2.001  -3.551  -9.978
  226   HG22  VAL  30          1HG2      VAL  30   0.298  -3.996  -9.874
  227   HG23  VAL  30          2HG2      VAL  30   0.753  -2.322 -10.193
  228    H    THR  31           H        THR  31  -0.021  -6.753 -13.455
  229    HA   THR  31           HA       THR  31   1.043  -5.914 -16.062
  230    HB   THR  31           HB       THR  31  -0.033  -8.192 -16.763
  231    HG1  THR  31           HG1      THR  31  -0.665  -9.430 -15.164
  232   HG21  THR  31          3HG2      THR  31   2.490  -8.094 -15.102
  233   HG22  THR  31          1HG2      THR  31   2.372  -7.708 -16.818
  234   HG23  THR  31          2HG2      THR  31   2.065  -9.354 -16.262
  235    H    GLU  32           H        GLU  32  -0.438  -5.616 -17.791
  236    HA   GLU  32           HA       GLU  32  -2.848  -4.326 -16.905
  237    HB2  GLU  32           2HB      GLU  32  -1.882  -4.788 -19.728
  238    HB3  GLU  32           3HB      GLU  32  -3.074  -3.609 -19.202
  239    HG2  GLU  32           2HG      GLU  32  -1.440  -2.299 -18.118
  240    HG3  GLU  32           3HG      GLU  32  -0.226  -3.573 -18.265
  241    H    ASP  33           H        ASP  33  -2.055  -7.411 -18.238
  242    HA   ASP  33           HA       ASP  33  -4.426  -7.771 -19.768
  243    HB2  ASP  33           2HB      ASP  33  -3.637 -10.084 -20.072
  244    HB3  ASP  33           3HB      ASP  33  -2.380  -8.898 -20.408
  245    H    HIS  34           H        HIS  34  -4.057  -7.892 -16.443
  246    HA   HIS  34           HA       HIS  34  -6.345  -9.741 -16.278
  247    HB2  HIS  34           2HB      HIS  34  -5.778 -10.276 -14.013
  248    HB3  HIS  34           3HB      HIS  34  -4.331 -10.471 -14.989
  249    HD1  HIS  34           HD1      HIS  34  -5.762  -8.466 -12.187
  250    HD2  HIS  34           HD2      HIS  34  -2.255  -8.671 -14.408
  251    HE1  HIS  34           HE1      HIS  34  -4.079  -7.098 -10.924
  252    HE2  HIS  34           HE2      HIS  34  -1.911  -7.462 -12.149
  253    H    GLY  35           H        GLY  35  -5.870  -6.658 -16.623
  254    HA2  GLY  35           2HA      GLY  35  -7.205  -4.828 -16.244
  255    HA3  GLY  35           3HA      GLY  35  -8.349  -5.903 -15.453
  256    H    ALA  36           H        ALA  36  -8.810  -5.064 -13.546
  257    HA   ALA  36           HA       ALA  36  -7.015  -3.425 -12.062
  258    HB1  ALA  36           3HB      ALA  36  -9.585  -4.746 -11.192
  259    HB2  ALA  36           1HB      ALA  36  -9.443  -3.149 -11.930
  260    HB3  ALA  36           2HB      ALA  36  -8.745  -3.452 -10.339
  261    H    VAL  37           H        VAL  37  -5.960  -3.882 -10.109
  262    HA   VAL  37           HA       VAL  37  -5.039  -6.609  -9.897
  263    HB   VAL  37           HB       VAL  37  -4.307  -4.206  -8.211
  264   HG11  VAL  37          1HG1      VAL  37  -2.333  -5.541  -7.583
  265   HG12  VAL  37          2HG1      VAL  37  -2.999  -6.914  -8.469
  266   HG13  VAL  37          3HG1      VAL  37  -3.841  -6.287  -7.052
  267   HG21  VAL  37          3HG2      VAL  37  -3.729  -3.878 -10.553
  268   HG22  VAL  37          1HG2      VAL  37  -2.900  -5.435 -10.579
  269   HG23  VAL  37          2HG2      VAL  37  -2.277  -4.121  -9.581
  270    H    GLY  38           H        GLY  38  -6.600  -7.885  -9.105
  271    HA2  GLY  38           2HA      GLY  38  -7.748  -8.959  -7.426
  272    HA3  GLY  38           3HA      GLY  38  -7.125  -7.769  -6.291
  273    H    GLN  39           H        GLN  39  -8.178  -5.669  -6.246
  274    HA   GLN  39           HA       GLN  39 -10.973  -5.719  -7.144
  275    HB2  GLN  39           2HB      GLN  39 -11.692  -4.963  -4.885
  276    HB3  GLN  39           3HB      GLN  39 -11.050  -6.601  -4.899
  277    HG2  GLN  39           2HG      GLN  39  -8.962  -5.848  -3.987
  278    HG3  GLN  39           3HG      GLN  39  -9.472  -4.166  -4.106
  279   HE21  GLN  39          1HE2      GLN  39 -10.973  -3.364  -2.655
  280   HE22  GLN  39          2HE2      GLN  39 -11.352  -4.182  -1.177
  281    H    GLU  40           H        GLU  40  -8.134  -4.091  -7.108
  282    HA   GLU  40           HA       GLU  40  -9.448  -1.456  -7.047
  283    HB2  GLU  40           2HB      GLU  40  -6.625  -1.840  -6.083
  284    HB3  GLU  40           3HB      GLU  40  -7.730  -0.509  -5.762
  285    HG2  GLU  40           2HG      GLU  40  -8.959  -2.815  -4.746
  286    HG3  GLU  40           3HG      GLU  40  -7.272  -2.891  -4.249
  287    H    MET  41           H        MET  41  -8.675   0.062  -8.520
  288    HA   MET  41           HA       MET  41  -6.789  -1.011 -10.518
  289    HB2  MET  41           2HB      MET  41  -8.096   0.052 -12.283
  290    HB3  MET  41           3HB      MET  41  -9.076  -1.102 -11.389
  291    HG2  MET  41           2HG      MET  41 -10.032   0.787 -10.100
  292    HG3  MET  41           3HG      MET  41  -9.125   1.894 -11.128
  293    HE1  MET  41           3HE      MET  41 -12.495  -0.875 -12.623
  294    HE2  MET  41           1HE      MET  41 -12.005  -0.740 -10.934
  295    HE3  MET  41           2HE      MET  41 -10.916  -1.474 -12.111
  296    H    CYS  42           H        CYS  42  -7.408   1.425  -8.326
  297    HA   CYS  42           HA       CYS  42  -5.430   3.148  -9.643
  298    HB2  CYS  42           2HB      CYS  42  -7.969   4.066  -8.284
  299    HB3  CYS  42           3HB      CYS  42  -6.660   5.139  -8.767
  300    HG   CYS  42           HG       CYS  42  -7.274   5.346 -11.275
  301    H    CYS  43           H        CYS  43  -4.119   4.375  -8.261
  302    HA   CYS  43           HA       CYS  43  -4.089   3.472  -5.453
  303    HB2  CYS  43           2HB      CYS  43  -2.189   2.558  -6.656
  304    HB3  CYS  43           3HB      CYS  43  -1.797   4.137  -7.316
  305    HA   PRO  44           HA       PRO  44  -5.382   7.852  -5.399
  306    HB2  PRO  44           2HB      PRO  44  -5.702   7.769  -2.616
  307    HB3  PRO  44           3HB      PRO  44  -6.960   7.500  -3.822
  308    HG2  PRO  44           2HG      PRO  44  -5.341   5.525  -2.294
  309    HG3  PRO  44           3HG      PRO  44  -7.034   5.435  -2.810
  310    HD2  PRO  44           2HD      PRO  44  -5.129   4.047  -4.070
  311    HD3  PRO  44           3HD      PRO  44  -6.470   4.789  -4.969
  312    H    ILE  45           H        ILE  45  -2.948   6.343  -3.364
  313    HA   ILE  45           HA       ILE  45  -1.874   8.587  -2.120
  314    HB   ILE  45           HB       ILE  45  -0.358   6.136  -3.035
  315   HG12  ILE  45          2HG1      ILE  45  -1.781   6.672  -0.416
  316   HG13  ILE  45          3HG1      ILE  45  -2.365   5.601  -1.684
  317   HG21  ILE  45          1HG2      ILE  45   1.164   6.656  -1.187
  318   HG22  ILE  45          2HG2      ILE  45   0.245   8.121  -0.844
  319   HG23  ILE  45          3HG2      ILE  45   1.115   7.962  -2.370
  320   HD11  ILE  45          3HD1      ILE  45  -0.402   4.177  -1.374
  321   HD12  ILE  45          1HD1      ILE  45  -1.338   4.345   0.112
  322   HD13  ILE  45          2HD1      ILE  45   0.162   5.249  -0.091
  323    H    CYS  46           H        CYS  46  -1.255   7.275  -5.339
  324    HA   CYS  46           HA       CYS  46   0.526   9.563  -5.876
  325    HB2  CYS  46           2HB      CYS  46   1.349   8.239  -7.811
  326    HB3  CYS  46           3HB      CYS  46   1.630   7.439  -6.269
  327    H    CYS  47           H        CYS  47  -2.563   8.682  -6.144
  328    HA   CYS  47           HA       CYS  47  -4.360   9.306  -7.359
  329    HB2  CYS  47           2HB      CYS  47  -2.508  11.430  -8.454
  330    HB3  CYS  47           3HB      CYS  47  -4.269  11.464  -8.488
  331    HG   CYS  47           HG       CYS  47  -3.720  11.060  -5.398
  332    H    SER  48           H        SER  48  -2.134   7.551  -8.562
  333    HA   SER  48           HA       SER  48  -3.041   7.732 -11.354
  334    HB2  SER  48           2HB      SER  48  -0.600   8.207 -11.018
  335    HB3  SER  48           3HB      SER  48  -0.416   6.572 -10.381
  336    HG   SER  48           HG       SER  48   0.043   6.321 -12.481
  337    H    GLU  49           H        GLU  49  -2.890   5.545 -12.468
  338    HA   GLU  49           HA       GLU  49  -4.311   3.664 -10.734
  339    HB2  GLU  49           2HB      GLU  49  -5.111   2.708 -12.943
  340    HB3  GLU  49           3HB      GLU  49  -5.682   4.318 -12.534
  341    HG2  GLU  49           2HG      GLU  49  -3.808   5.202 -13.986
  342    HG3  GLU  49           3HG      GLU  49  -3.601   3.545 -14.552
  343    H    TYR  50           H        TYR  50  -4.143   1.352 -12.185
  344    HA   TYR  50           HA       TYR  50  -1.380   0.622 -11.594
  345    HB2  TYR  50           2HB      TYR  50  -3.918  -0.978 -11.830
  346    HB3  TYR  50           3HB      TYR  50  -2.335  -1.753 -11.793
  347    HD1  TYR  50           HD2      TYR  50  -4.614   0.444  -9.878
  348    HD2  TYR  50           HD1      TYR  50  -1.171  -2.041  -9.766
  349    HE1  TYR  50           HE2      TYR  50  -4.589   0.602  -7.429
  350    HE2  TYR  50           HE1      TYR  50  -1.136  -1.890  -7.315
  351    HH   TYR  50           HH       TYR  50  -3.714  -0.682  -5.504
  352    H    VAL  51           H        VAL  51  -0.030   0.724 -13.197
  353    HA   VAL  51           HA       VAL  51  -0.854  -0.298 -15.829
  354    HB   VAL  51           HB       VAL  51   0.895   1.188 -16.800
  355   HG11  VAL  51          1HG1      VAL  51  -1.263   2.579 -15.213
  356   HG12  VAL  51          2HG1      VAL  51  -1.440   1.870 -16.818
  357   HG13  VAL  51          3HG1      VAL  51  -0.394   3.270 -16.585
  358   HG21  VAL  51          3HG2      VAL  51   1.787   3.024 -15.453
  359   HG22  VAL  51          1HG2      VAL  51   2.281   1.460 -14.805
  360   HG23  VAL  51          2HG2      VAL  51   0.988   2.368 -14.024
  361    H    LYS  52           H        LYS  52   1.127  -1.029 -17.135
  362    HA   LYS  52           HA       LYS  52   2.245  -3.198 -15.651
  363    HB2  LYS  52           2HB      LYS  52   1.565  -3.450 -17.983
  364    HB3  LYS  52           3HB      LYS  52   2.763  -2.263 -18.478
  365    HG2  LYS  52           2HG      LYS  52   4.552  -3.750 -17.761
  366    HG3  LYS  52           3HG      LYS  52   3.362  -4.937 -17.225
  367    HD2  LYS  52           2HD      LYS  52   3.655  -3.937 -20.057
  368    HD3  LYS  52           3HD      LYS  52   4.309  -5.459 -19.450
  369    HE2  LYS  52           2HE      LYS  52   2.078  -6.252 -18.943
  370    HE3  LYS  52           3HE      LYS  52   1.390  -4.705 -19.432
  371    HZ1  LYS  52           3HZ      LYS  52   2.083  -5.100 -21.677
  372    HZ2  LYS  52           1HZ      LYS  52   1.201  -6.443 -21.144
  373    HZ3  LYS  52           2HZ      LYS  52   2.888  -6.520 -21.240
  374    H    GLY  53           H        GLY  53   4.111  -3.288 -14.597
  375    HA2  GLY  53           2HA      GLY  53   6.538  -2.959 -14.719
  376    HA3  GLY  53           3HA      GLY  53   6.213  -1.338 -15.310
  377    H    ASP  54           H        ASP  54   3.923  -1.410 -13.197
  378    HA   ASP  54           HA       ASP  54   5.546  -0.197 -11.115
  379    HB2  ASP  54           2HB      ASP  54   3.225   0.621 -12.107
  380    HB3  ASP  54           3HB      ASP  54   2.572  -0.465 -10.887
  381    H    VAL  55           H        VAL  55   4.999  -0.718  -8.798
  382    HA   VAL  55           HA       VAL  55   4.761  -3.643  -8.522
  383    HB   VAL  55           HB       VAL  55   6.298  -1.748  -6.736
  384   HG11  VAL  55          1HG1      VAL  55   7.183  -3.784  -5.704
  385   HG12  VAL  55          2HG1      VAL  55   6.143  -4.761  -6.740
  386   HG13  VAL  55          3HG1      VAL  55   5.431  -3.686  -5.537
  387   HG21  VAL  55          3HG2      VAL  55   7.368  -1.970  -8.913
  388   HG22  VAL  55          1HG2      VAL  55   7.302  -3.728  -8.779
  389   HG23  VAL  55          2HG2      VAL  55   8.307  -2.796  -7.670
  390    H    ALA  56           H        ALA  56   3.033  -4.324  -7.483
  391    HA   ALA  56           HA       ALA  56   1.601  -2.463  -5.716
  392    HB1  ALA  56           3HB      ALA  56   0.300  -3.351  -7.589
  393    HB2  ALA  56           1HB      ALA  56  -0.345  -3.898  -6.041
  394    HB3  ALA  56           2HB      ALA  56   0.619  -4.994  -7.031
  395    H    THR  57           H        THR  57   0.431  -3.585  -3.882
  396    HA   THR  57           HA       THR  57   1.767  -5.946  -2.838
  397    HB   THR  57           HB       THR  57   3.038  -3.927  -1.998
  398    HG1  THR  57           HG1      THR  57   3.179  -5.784  -0.790
  399   HG21  THR  57          3HG2      THR  57   0.470  -3.419  -0.488
  400   HG22  THR  57          1HG2      THR  57   1.171  -2.380  -1.728
  401   HG23  THR  57          2HG2      THR  57   2.010  -2.610  -0.194
  402    H    GLU  58           H        GLU  58   0.650  -6.470  -0.607
  403    HA   GLU  58           HA       GLU  58  -2.240  -6.028  -0.973
  404    HB2  GLU  58           2HB      GLU  58  -1.592  -8.332  -1.539
  405    HB3  GLU  58           3HB      GLU  58  -0.847  -8.513   0.043
  406    HG2  GLU  58           2HG      GLU  58  -3.160  -7.980   0.988
  407    HG3  GLU  58           3HG      GLU  58  -3.750  -8.287  -0.646
  408    H    LEU  59           H        LEU  59  -3.070  -4.883   0.635
  409    HA   LEU  59           HA       LEU  59  -1.773  -4.819   3.231
  410    HB2  LEU  59           2HB      LEU  59  -4.254  -3.439   2.196
  411    HB3  LEU  59           3HB      LEU  59  -3.604  -3.223   3.810
  412    HG   LEU  59           HG       LEU  59  -2.256  -2.446   1.223
  413   HD11  LEU  59          1HD1      LEU  59  -2.513  -0.172   2.066
  414   HD12  LEU  59          2HD1      LEU  59  -3.358  -0.788   3.486
  415   HD13  LEU  59          3HD1      LEU  59  -4.079  -0.966   1.886
  416   HD21  LEU  59          3HD2      LEU  59  -0.501  -1.494   2.636
  417   HD22  LEU  59          1HD2      LEU  59  -0.621  -3.241   2.851
  418   HD23  LEU  59          2HD2      LEU  59  -1.294  -2.155   4.067
  419    HA   PRO  60           HA       PRO  60  -3.958  -8.201   4.955
  420    HB2  PRO  60           2HB      PRO  60  -4.109  -7.308   7.570
  421    HB3  PRO  60           3HB      PRO  60  -2.708  -8.103   6.847
  422    HG2  PRO  60           2HG      PRO  60  -3.231  -5.189   7.262
  423    HG3  PRO  60           3HG      PRO  60  -1.724  -6.101   7.475
  424    HD2  PRO  60           2HD      PRO  60  -2.132  -4.579   5.311
  425    HD3  PRO  60           3HD      PRO  60  -1.279  -6.134   5.194
  426    H    CYS  61           H        CYS  61  -5.258  -5.011   5.059
  427    HA   CYS  61           HA       CYS  61  -7.767  -5.841   6.258
  428    HB2  CYS  61           2HB      CYS  61  -8.423  -3.525   6.077
  429    HB3  CYS  61           3HB      CYS  61  -6.778  -3.589   6.701
  430    H    HIS  62           H        HIS  62  -6.572  -6.600   3.455
  431    HA   HIS  62           HA       HIS  62  -7.406  -7.277   1.464
  432    HB2  HIS  62           2HB      HIS  62 -10.062  -6.595   2.727
  433    HB3  HIS  62           3HB      HIS  62  -9.908  -7.269   1.109
  434    HD1  HIS  62           HD1      HIS  62 -10.621  -8.332   4.385
  435    HD2  HIS  62           HD2      HIS  62  -8.204  -9.811   1.339
  436    HE1  HIS  62           HE1      HIS  62 -10.278 -10.771   4.910
  437    HE2  HIS  62           HE2      HIS  62  -8.704 -11.612   3.121
  438    H    HIS  63           H        HIS  63  -6.154  -5.152   1.142
  439    HA   HIS  63           HA       HIS  63  -7.645  -3.735  -0.893
  440    HB2  HIS  63           2HB      HIS  63  -6.693  -2.431   1.607
  441    HB3  HIS  63           3HB      HIS  63  -6.415  -1.561   0.103
  442    HD2  HIS  63           HD2      HIS  63  -9.281  -2.167  -1.354
  443    HE1  HIS  63           HE1      HIS  63 -10.951  -0.352   2.089
  444    HE2  HIS  63           HE2      HIS  63 -11.304  -0.927  -0.336
  445    H    TYR  64           H        TYR  64  -6.228  -2.642  -2.406
  446    HA   TYR  64           HA       TYR  64  -3.514  -3.796  -2.305
  447    HB2  TYR  64           2HB      TYR  64  -5.369  -3.497  -4.674
  448    HB3  TYR  64           3HB      TYR  64  -3.659  -3.884  -4.823
  449    HD1  TYR  64           HD1      TYR  64  -6.921  -5.126  -3.614
  450    HD2  TYR  64           HD2      TYR  64  -2.853  -6.088  -4.399
  451    HE1  TYR  64           HE1      TYR  64  -7.445  -7.516  -3.368
  452    HE2  TYR  64           HE2      TYR  64  -3.364  -8.480  -4.151
  453    HH   TYR  64           HH       TYR  64  -4.947  -9.953  -3.282
  454    H    PHE  65           H        PHE  65  -1.868  -2.476  -2.660
  455    HA   PHE  65           HA       PHE  65  -2.309   0.132  -3.890
  456    HB2  PHE  65           2HB      PHE  65  -1.323  -0.319  -1.083
  457    HB3  PHE  65           3HB      PHE  65  -0.808   1.094  -1.996
  458    HD1  PHE  65           HD2      PHE  65  -2.390   2.826  -2.600
  459    HD2  PHE  65           HD1      PHE  65  -3.570  -0.523  -0.260
  460    HE1  PHE  65           HE2      PHE  65  -4.438   4.012  -1.943
  461    HE2  PHE  65           HE1      PHE  65  -5.626   0.656   0.401
  462    HZ   PHE  65           HZ       PHE  65  -6.059   2.930  -0.442
  463    H    HIS  66           H        HIS  66  -0.324   1.129  -4.614
  464    HA   HIS  66           HA       HIS  66   1.709  -0.694  -5.417
  465    HB2  HIS  66           2HB      HIS  66   1.697   2.333  -5.357
  466    HB3  HIS  66           3HB      HIS  66   2.994   1.367  -6.050
  467    HD2  HIS  66           HD2      HIS  66   1.343  -0.658  -7.934
  468    HE1  HIS  66           HE1      HIS  66  -0.433   2.836  -9.552
  469    HE2  HIS  66           HE2      HIS  66   0.229   0.450  -9.980
  470    H    LYS  67           H        LYS  67   3.460  -1.363  -4.324
  471    HA   LYS  67           HA       LYS  67   3.544  -1.004  -1.563
  472    HB2  LYS  67           2HB      LYS  67   4.453  -2.982  -2.736
  473    HB3  LYS  67           3HB      LYS  67   5.804  -2.004  -3.296
  474    HG2  LYS  67           2HG      LYS  67   6.581  -1.675  -1.059
  475    HG3  LYS  67           3HG      LYS  67   5.140  -2.443  -0.396
  476    HD2  LYS  67           2HD      LYS  67   5.799  -4.556  -1.471
  477    HD3  LYS  67           3HD      LYS  67   7.263  -3.776  -2.075
  478    HE2  LYS  67           2HE      LYS  67   8.016  -3.368   0.191
  479    HE3  LYS  67           3HE      LYS  67   6.522  -4.043   0.836
  480    HZ1  LYS  67           3HZ      LYS  67   7.116  -6.185  -0.059
  481    HZ2  LYS  67           1HZ      LYS  67   8.372  -5.618   0.922
  482    HZ3  LYS  67           2HZ      LYS  67   8.522  -5.552  -0.760
  483    HA   PRO  68           HA       PRO  68   7.414   2.003  -2.297
  484    HB2  PRO  68           2HB      PRO  68   6.348   3.130  -4.849
  485    HB3  PRO  68           3HB      PRO  68   8.023   2.954  -4.308
  486    HG2  PRO  68           2HG      PRO  68   7.027   1.281  -6.106
  487    HG3  PRO  68           3HG      PRO  68   8.081   0.680  -4.811
  488    HD2  PRO  68           2HD      PRO  68   5.114   0.479  -5.092
  489    HD3  PRO  68           3HD      PRO  68   6.270  -0.699  -4.441
  490    H    CYS  69           H        CYS  69   4.209   2.789  -3.639
  491    HA   CYS  69           HA       CYS  69   4.036   5.408  -2.619
  492    HB2  CYS  69           2HB      CYS  69   1.749   3.496  -3.149
  493    HB3  CYS  69           3HB      CYS  69   1.644   5.248  -3.049
  494    H    VAL  70           H        VAL  70   2.729   2.340  -1.375
  495    HA   VAL  70           HA       VAL  70   1.490   3.554   0.868
  496    HB   VAL  70           HB       VAL  70   0.840   1.344  -0.176
  497   HG11  VAL  70          1HG1      VAL  70   1.909  -0.681   0.672
  498   HG12  VAL  70          2HG1      VAL  70   3.132   0.304   1.476
  499   HG13  VAL  70          3HG1      VAL  70   3.023   0.296  -0.285
  500   HG21  VAL  70          3HG2      VAL  70   0.114   0.360   1.950
  501   HG22  VAL  70          1HG2      VAL  70  -0.145   2.103   1.894
  502   HG23  VAL  70          2HG2      VAL  70   1.209   1.442   2.811
  503    H    SER  71           H        SER  71   4.680   2.257   0.298
  504    HA   SER  71           HA       SER  71   5.540   1.998   2.955
  505    HB2  SER  71           2HB      SER  71   7.149   2.769   0.504
  506    HB3  SER  71           3HB      SER  71   7.825   2.229   2.040
  507    HG   SER  71           HG       SER  71   6.253   0.762   0.197
  508    H    ILE  72           H        ILE  72   5.804   4.756   0.718
  509    HA   ILE  72           HA       ILE  72   6.970   6.532   2.589
  510    HB   ILE  72           HB       ILE  72   5.306   7.197   0.151
  511   HG12  ILE  72          2HG1      ILE  72   8.308   6.932   0.416
  512   HG13  ILE  72          3HG1      ILE  72   7.255   5.729  -0.322
  513   HG21  ILE  72          1HG2      ILE  72   5.563   9.093   1.664
  514   HG22  ILE  72          2HG2      ILE  72   6.483   9.339   0.180
  515   HG23  ILE  72          3HG2      ILE  72   7.311   8.870   1.664
  516   HD11  ILE  72          3HD1      ILE  72   6.597   7.383  -2.015
  517   HD12  ILE  72          1HD1      ILE  72   8.331   7.054  -2.020
  518   HD13  ILE  72          2HD1      ILE  72   7.717   8.538  -1.292
  519    H    TRP  73           H        TRP  73   3.664   5.784   1.695
  520    HA   TRP  73           HA       TRP  73   2.395   7.879   3.074
  521    HB2  TRP  73           2HB      TRP  73   1.237   6.614   1.365
  522    HB3  TRP  73           3HB      TRP  73   1.398   5.132   2.301
  523    HD1  TRP  73           HD1      TRP  73  -0.516   4.567   3.921
  524    HE1  TRP  73           HE1      TRP  73  -2.636   5.772   4.729
  525    HE3  TRP  73           HE3      TRP  73   0.365   9.180   1.895
  526    HZ2  TRP  73           HZ2      TRP  73  -3.784   8.351   4.537
  527    HZ3  TRP  73           HZ3      TRP  73  -1.294  10.964   2.258
  528    HH2  TRP  73           HH2      TRP  73  -3.325  10.554   3.552
  529    H    LEU  74           H        LEU  74   2.916   4.480   4.040
  530    HA   LEU  74           HA       LEU  74   1.633   4.760   6.539
  531    HB2  LEU  74           2HB      LEU  74   3.621   2.704   5.592
  532    HB3  LEU  74           3HB      LEU  74   2.710   2.587   7.085
  533    HG   LEU  74           HG       LEU  74   1.522   2.636   4.307
  534   HD11  LEU  74          1HD1      LEU  74   1.819   0.383   6.286
  535   HD12  LEU  74          2HD1      LEU  74   2.711   0.566   4.775
  536   HD13  LEU  74          3HD1      LEU  74   0.967   0.299   4.743
  537   HD21  LEU  74          3HD2      LEU  74   0.213   2.234   6.995
  538   HD22  LEU  74          1HD2      LEU  74  -0.580   2.100   5.426
  539   HD23  LEU  74          2HD2      LEU  74   0.049   3.657   5.965
  540    H    GLN  75           H        GLN  75   4.937   5.339   5.535
  541    HA   GLN  75           HA       GLN  75   6.096   5.351   8.118
  542    HB2  GLN  75           2HB      GLN  75   6.915   6.772   5.584
  543    HB3  GLN  75           3HB      GLN  75   7.866   6.800   7.063
  544    HG2  GLN  75           2HG      GLN  75   8.055   4.357   6.967
  545    HG3  GLN  75           3HG      GLN  75   7.150   4.363   5.454
  546   HE21  GLN  75          1HE2      GLN  75   8.801   3.511   4.237
  547   HE22  GLN  75          2HE2      GLN  75  10.237   4.394   3.854
  548    H    LYS  76           H        LYS  76   4.040   7.566   6.505
  549    HA   LYS  76           HA       LYS  76   4.666   9.679   8.437
  550    HB2  LYS  76           2HB      LYS  76   3.083   9.717   5.866
  551    HB3  LYS  76           3HB      LYS  76   3.163  11.082   6.974
  552    HG2  LYS  76           2HG      LYS  76   5.619  11.111   6.697
  553    HG3  LYS  76           3HG      LYS  76   5.469   9.823   5.503
  554    HD2  LYS  76           2HD      LYS  76   3.821  12.254   5.104
  555    HD3  LYS  76           3HD      LYS  76   5.557  12.404   4.840
  556    HE2  LYS  76           2HE      LYS  76   4.429  11.879   2.759
  557    HE3  LYS  76           3HE      LYS  76   5.466  10.542   3.247
  558    HZ1  LYS  76           3HZ      LYS  76   3.580   9.322   3.986
  559    HZ2  LYS  76           1HZ      LYS  76   3.259   9.862   2.413
  560    HZ3  LYS  76           2HZ      LYS  76   2.539  10.639   3.744
  561    H    SER  77           H        SER  77   2.049   7.613   7.294
  562    HA   SER  77           HA       SER  77   0.753   7.855   9.870
  563    HB2  SER  77           2HB      SER  77  -0.218   9.727   8.522
  564    HB3  SER  77           3HB      SER  77  -0.779   8.543   7.344
  565    HG   SER  77           HG       SER  77  -2.262   7.821   8.742
  566    H    GLY  78           H        GLY  78   0.331   5.818  10.441
  567    HA2  GLY  78           2HA      GLY  78   0.255   3.722   8.451
  568    HA3  GLY  78           3HA      GLY  78   0.174   3.516  10.195
  569    H    THR  79           H        THR  79  -1.718   4.620   7.413
  570    HA   THR  79           HA       THR  79  -4.064   3.292   8.532
  571    HB   THR  79           HB       THR  79  -4.504   6.050   7.458
  572    HG1  THR  79           HG1      THR  79  -3.112   5.446   9.756
  573   HG21  THR  79          3HG2      THR  79  -6.396   4.575   7.953
  574   HG22  THR  79          1HG2      THR  79  -6.387   5.987   9.009
  575   HG23  THR  79          2HG2      THR  79  -5.842   4.425   9.620
  576    H    CYS  80           H        CYS  80  -5.353   2.431   6.962
  577    HA   CYS  80           HA       CYS  80  -4.459   2.501   4.238
  578    HB2  CYS  80           2HB      CYS  80  -5.561   0.521   5.311
  579    HB3  CYS  80           3HB      CYS  80  -7.063   1.428   5.349
  580    HA   PRO  81           HA       PRO  81  -6.226   6.485   3.386
  581    HB2  PRO  81           2HB      PRO  81  -6.160   5.396   0.606
  582    HB3  PRO  81           3HB      PRO  81  -5.577   6.948   1.223
  583    HG2  PRO  81           2HG      PRO  81  -3.860   4.998   0.684
  584    HG3  PRO  81           3HG      PRO  81  -3.647   6.014   2.123
  585    HD2  PRO  81           2HD      PRO  81  -4.646   3.209   1.912
  586    HD3  PRO  81           3HD      PRO  81  -3.663   3.966   3.182
  587    H    VAL  82           H        VAL  82  -7.613   3.587   1.879
  588    HA   VAL  82           HA       VAL  82 -10.013   4.951   1.105
  589    HB   VAL  82           HB       VAL  82  -9.465   1.980   1.150
  590   HG11  VAL  82          1HG1      VAL  82 -11.554   3.578  -0.330
  591   HG12  VAL  82          2HG1      VAL  82 -11.846   2.502   1.035
  592   HG13  VAL  82          3HG1      VAL  82 -11.273   1.844  -0.496
  593   HG21  VAL  82          3HG2      VAL  82  -7.842   3.198  -0.217
  594   HG22  VAL  82          1HG2      VAL  82  -9.157   3.969  -1.100
  595   HG23  VAL  82          2HG2      VAL  82  -8.920   2.224  -1.215
  596    H    CYS  83           H        CYS  83  -9.348   2.384   3.524
  597    HA   CYS  83           HA       CYS  83 -12.103   2.682   4.451
  598    HB2  CYS  83           2HB      CYS  83 -11.746   0.557   5.632
  599    HB3  CYS  83           3HB      CYS  83 -11.381   0.419   3.916
  600    H    ARG  84           H        ARG  84  -8.999   3.677   5.327
  601    HA   ARG  84           HA       ARG  84  -8.160   4.800   7.097
  602    HB2  ARG  84           2HB      ARG  84 -11.070   4.968   7.802
  603    HB3  ARG  84           3HB      ARG  84  -9.836   5.620   8.863
  604    HG2  ARG  84           2HG      ARG  84 -10.245   6.434   5.993
  605    HG3  ARG  84           3HG      ARG  84 -10.850   7.316   7.396
  606    HD2  ARG  84           2HD      ARG  84  -7.986   6.837   6.605
  607    HD3  ARG  84           3HD      ARG  84  -8.833   8.379   6.726
  608    HE   ARG  84           HE       ARG  84  -8.529   6.779   9.162
  609   HH11  ARG  84          1HH1      ARG  84  -7.717   9.665   7.352
  610   HH12  ARG  84          2HH1      ARG  84  -6.798  10.365   8.648
  611   HH21  ARG  84          1HH2      ARG  84  -7.357   7.706  10.865
  612   HH22  ARG  84          2HH2      ARG  84  -6.589   9.257  10.647
  613    H    CYS  85           H        CYS  85  -8.717   1.805   7.137
  614    HA   CYS  85           HA       CYS  85  -8.782   1.154   9.918
  615    HB2  CYS  85           2HB      CYS  85  -9.376  -0.441   8.054
  616    HB3  CYS  85           3HB      CYS  85  -7.661  -0.523   7.664
  617    HG   CYS  85           HG       CYS  85  -8.873  -1.367  10.743
  618    H    MET  86           H        MET  86  -7.053   0.698  11.272
  619    HA   MET  86           HA       MET  86  -4.727   2.290  10.719
  620    HB2  MET  86           2HB      MET  86  -5.787   2.256  12.949
  621    HB3  MET  86           3HB      MET  86  -5.365   0.558  13.116
  622    HG2  MET  86           2HG      MET  86  -2.999   1.123  13.050
  623    HG3  MET  86           3HG      MET  86  -3.402   2.825  12.835
  624    HE1  MET  86           3HE      MET  86  -4.281   0.413  16.673
  625    HE2  MET  86           1HE      MET  86  -3.445  -0.243  15.266
  626    HE3  MET  86           2HE      MET  86  -5.159   0.161  15.164
  627    H    PHE  87           H        PHE  87  -2.666   1.650  10.383
  628    HA   PHE  87           HA       PHE  87  -2.071  -1.228  10.428
  629    HB2  PHE  87           2HB      PHE  87  -2.323  -0.444   8.074
  630    HB3  PHE  87           3HB      PHE  87  -1.049   0.736   8.358
  631    HD1  PHE  87           HD1      PHE  87  -1.823  -2.809   7.907
  632    HD2  PHE  87           HD2      PHE  87   1.265   0.057   8.503
  633    HE1  PHE  87           HE1      PHE  87  -0.144  -4.491   7.271
  634    HE2  PHE  87           HE2      PHE  87   2.950  -1.620   7.867
  635    HZ   PHE  87           HZ       PHE  87   2.247  -3.898   7.249
  636    HA   PRO  88           HA       PRO  88  -0.348  -2.641  10.839
  637    HB2  PRO  88           2HB      PRO  88   0.128  -3.524  13.385
  638    HB3  PRO  88           3HB      PRO  88   1.387  -3.308  12.166
  639    HG2  PRO  88           2HG      PRO  88   0.574  -1.486  14.393
  640    HG3  PRO  88           3HG      PRO  88   2.202  -1.918  13.837
  641    HD2  PRO  88           2HD      PRO  88   1.051   0.413  13.168
  642    HD3  PRO  88           3HD      PRO  88   2.113  -0.460  12.045
  643    HA   PRO  89           HA       PRO  89  -4.548  -3.170  11.822
  644    HB2  PRO  89           2HB      PRO  89  -4.433  -5.724  13.006
  645    HB3  PRO  89           3HB      PRO  89  -4.691  -5.361  11.299
  646    HG2  PRO  89           2HG      PRO  89  -2.185  -6.109  12.723
  647    HG3  PRO  89           3HG      PRO  89  -2.712  -6.519  11.080
  648    HD2  PRO  89           2HD      PRO  89  -0.839  -4.670  11.482
  649    HD3  PRO  89           3HD      PRO  89  -2.083  -4.441  10.232
  650    HA   PRO  90           HA       PRO  90  -5.198  -1.971  16.016
  651    HB2  PRO  90           2HB      PRO  90  -7.873  -2.484  16.191
  652    HB3  PRO  90           3HB      PRO  90  -7.200  -1.076  15.362
  653    HG2  PRO  90           2HG      PRO  90  -8.157  -3.670  14.223
  654    HG3  PRO  90           3HG      PRO  90  -8.412  -2.022  13.623
  655    HD2  PRO  90           2HD      PRO  90  -6.564  -3.668  12.552
  656    HD3  PRO  90           3HD      PRO  90  -6.317  -1.912  12.657
  657    H    LEU  91           H        LEU  91  -5.365  -2.835  18.035
  658    HA   LEU  91           HA       LEU  91  -5.642  -5.757  18.174
  659    HB2  LEU  91           2HB      LEU  91  -4.314  -3.841  20.098
  660    HB3  LEU  91           3HB      LEU  91  -4.431  -5.576  20.321
  661    HG   LEU  91           HG       LEU  91  -2.912  -4.188  18.110
  662   HD11  LEU  91          1HD1      LEU  91  -1.944  -5.682  20.544
  663   HD12  LEU  91          2HD1      LEU  91  -1.843  -3.941  20.284
  664   HD13  LEU  91          3HD1      LEU  91  -0.927  -5.041  19.253
  665   HD21  LEU  91          3HD2      LEU  91  -3.844  -6.335  17.396
  666   HD22  LEU  91          1HD2      LEU  91  -3.116  -7.119  18.797
  667   HD23  LEU  91          2HD2      LEU  91  -2.089  -6.414  17.549
  Start of MODEL    6
    1    H1   MET   1           1H       MET   1 -28.455   3.344  32.725
    2    H2   MET   1           2H       MET   1 -29.661   3.050  33.882
    3    H3   MET   1           3H       MET   1 -28.742   4.471  33.954
    4    HA   MET   1           HA       MET   1 -30.605   3.748  31.778
    5    HB2  MET   1           2HB      MET   1 -32.076   5.446  32.635
    6    HB3  MET   1           3HB      MET   1 -31.708   4.335  33.943
    7    HG2  MET   1           2HG      MET   1 -30.373   7.002  33.537
    8    HG3  MET   1           3HG      MET   1 -31.735   6.712  34.614
    9    HE1  MET   1           3HE      MET   1 -28.825   7.260  37.141
   10    HE2  MET   1           1HE      MET   1 -30.437   7.759  36.629
   11    HE3  MET   1           2HE      MET   1 -29.045   8.084  35.596
   12    H    GLY   2           H        GLY   2 -31.106   5.751  30.463
   13    HA2  GLY   2           2HA      GLY   2 -30.061   8.067  30.092
   14    HA3  GLY   2           3HA      GLY   2 -28.562   7.157  29.967
   15    H    HIS   3           H        HIS   3 -31.347   8.255  28.328
   16    HA   HIS   3           HA       HIS   3 -31.041   6.419  26.116
   17    HB2  HIS   3           2HB      HIS   3 -32.854   7.609  25.032
   18    HB3  HIS   3           3HB      HIS   3 -33.288   7.255  26.696
   19    HD1  HIS   3           HD1      HIS   3 -32.863  10.014  24.289
   20    HD2  HIS   3           HD2      HIS   3 -33.382   9.571  28.397
   21    HE1  HIS   3           HE1      HIS   3 -33.545  12.283  25.142
   22    HE2  HIS   3           HE2      HIS   3 -33.946  11.975  27.605
   23    H    HIS   4           H        HIS   4 -29.576   9.278  27.118
   24    HA   HIS   4           HA       HIS   4 -28.432   9.680  24.439
   25    HB2  HIS   4           2HB      HIS   4 -29.201  11.751  25.475
   26    HB3  HIS   4           3HB      HIS   4 -28.272  11.406  26.928
   27    HD1  HIS   4           HD1      HIS   4 -26.119  12.601  27.054
   28    HD2  HIS   4           HD2      HIS   4 -27.338  12.019  23.119
   29    HE1  HIS   4           HE1      HIS   4 -24.380  13.729  25.628
   30    HE2  HIS   4           HE2      HIS   4 -25.232  13.512  23.266
   31    H    HIS   5           H        HIS   5 -27.232   7.748  24.518
   32    HA   HIS   5           HA       HIS   5 -24.792   7.900  26.080
   33    HB2  HIS   5           2HB      HIS   5 -26.445   6.745  27.546
   34    HB3  HIS   5           3HB      HIS   5 -26.650   5.518  26.304
   35    HD1  HIS   5           HD1      HIS   5 -24.436   6.559  29.076
   36    HD2  HIS   5           HD2      HIS   5 -24.438   3.762  26.001
   37    HE1  HIS   5           HE1      HIS   5 -22.614   4.919  29.647
   38    HE2  HIS   5           HE2      HIS   5 -22.822   3.104  27.905
   39    H    HIS   6           H        HIS   6 -23.319   7.664  24.547
   40    HA   HIS   6           HA       HIS   6 -23.816   5.994  22.225
   41    HB2  HIS   6           2HB      HIS   6 -21.418   7.650  23.036
   42    HB3  HIS   6           3HB      HIS   6 -21.505   6.714  21.549
   43    HD1  HIS   6           HD1      HIS   6 -23.248   7.547  19.737
   44    HD2  HIS   6           HD2      HIS   6 -22.652  10.104  22.966
   45    HE1  HIS   6           HE1      HIS   6 -24.186   9.766  19.028
   46    HE2  HIS   6           HE2      HIS   6 -23.589  11.343  20.895
   47    H    HIS   7           H        HIS   7 -22.466   4.244  21.591
   48    HA   HIS   7           HA       HIS   7 -21.416   2.771  23.896
   49    HB2  HIS   7           2HB      HIS   7 -22.310   1.911  21.154
   50    HB3  HIS   7           3HB      HIS   7 -21.359   0.845  22.186
   51    HD1  HIS   7           HD1      HIS   7 -22.571  -0.379  24.012
   52    HD2  HIS   7           HD2      HIS   7 -24.898   2.575  22.240
   53    HE1  HIS   7           HE1      HIS   7 -24.881  -0.683  24.954
   54    HE2  HIS   7           HE2      HIS   7 -26.187   1.290  24.082
   55    H    HIS   8           H        HIS   8 -20.424   2.965  20.460
   56    HA   HIS   8           HA       HIS   8 -17.662   2.669  21.298
   57    HB2  HIS   8           2HB      HIS   8 -18.746   1.559  19.227
   58    HB3  HIS   8           3HB      HIS   8 -18.565   3.135  18.465
   59    HD1  HIS   8           HD1      HIS   8 -16.414   3.455  17.247
   60    HD2  HIS   8           HD2      HIS   8 -16.116   0.568  20.231
   61    HE1  HIS   8           HE1      HIS   8 -14.093   2.511  17.052
   62    HE2  HIS   8           HE2      HIS   8 -13.983   0.668  18.773
   63    H    SER   9           H        SER   9 -17.386   4.611  22.415
   64    HA   SER   9           HA       SER   9 -17.707   7.111  20.941
   65    HB2  SER   9           2HB      SER   9 -16.963   6.595  23.832
   66    HB3  SER   9           3HB      SER   9 -17.244   8.184  23.118
   67    HG   SER   9           HG       SER   9 -19.380   7.516  22.651
   68    H    HIS  10           H        HIS  10 -15.226   5.106  22.411
   69    HA   HIS  10           HA       HIS  10 -13.123   6.998  21.787
   70    HB2  HIS  10           2HB      HIS  10 -12.993   5.680  23.853
   71    HB3  HIS  10           3HB      HIS  10 -13.008   4.190  22.919
   72    HD1  HIS  10           HD1      HIS  10 -10.821   7.254  23.436
   73    HD2  HIS  10           HD2      HIS  10 -10.535   3.284  22.221
   74    HE1  HIS  10           HE1      HIS  10  -8.366   6.801  23.164
   75    HE2  HIS  10           HE2      HIS  10  -8.208   4.347  22.617
   76    H    MET  11           H        MET  11 -12.238   7.125  19.843
   77    HA   MET  11           HA       MET  11 -12.621   5.000  17.910
   78    HB2  MET  11           2HB      MET  11 -11.574   6.490  16.310
   79    HB3  MET  11           3HB      MET  11 -12.783   7.376  17.230
   80    HG2  MET  11           2HG      MET  11 -11.082   8.425  18.559
   81    HG3  MET  11           3HG      MET  11  -9.832   7.435  17.810
   82    HE1  MET  11           3HE      MET  11  -9.768   8.782  14.151
   83    HE2  MET  11           1HE      MET  11 -10.701   7.416  14.765
   84    HE3  MET  11           2HE      MET  11  -9.044   7.673  15.315
   85    H    VAL  12           H        VAL  12 -10.787   4.145  16.659
   86    HA   VAL  12           HA       VAL  12  -8.693   3.275  18.445
   87    HB   VAL  12           HB       VAL  12  -9.075   2.658  15.508
   88   HG11  VAL  12          1HG1      VAL  12  -6.796   2.254  16.267
   89   HG12  VAL  12          2HG1      VAL  12  -7.627   0.730  15.947
   90   HG13  VAL  12          3HG1      VAL  12  -7.404   1.281  17.609
   91   HG21  VAL  12          3HG2      VAL  12 -10.056   0.538  16.275
   92   HG22  VAL  12          1HG2      VAL  12 -11.005   1.932  16.791
   93   HG23  VAL  12          2HG2      VAL  12  -9.954   1.107  17.942
   94    H    ALA  13           H        ALA  13  -6.911   4.424  18.759
   95    HA   ALA  13           HA       ALA  13  -6.062   6.534  17.041
   96    HB1  ALA  13           3HB      ALA  13  -4.125   6.691  18.512
   97    HB2  ALA  13           1HB      ALA  13  -4.545   5.146  19.251
   98    HB3  ALA  13           2HB      ALA  13  -5.608   6.539  19.454
   99    H    ASN  14           H        ASN  14  -4.361   6.597  15.579
  100    HA   ASN  14           HA       ASN  14  -3.464   3.935  14.673
  101    HB2  ASN  14           2HB      ASN  14  -3.917   6.384  12.953
  102    HB3  ASN  14           3HB      ASN  14  -3.512   4.766  12.395
  103   HD21  ASN  14          1HD2      ASN  14  -5.312   3.443  14.252
  104   HD22  ASN  14          2HD2      ASN  14  -6.913   3.735  13.668
  105    HA   PRO  15           HA       PRO  15   0.560   5.995  15.265
  106    HB2  PRO  15           2HB      PRO  15   1.905   3.752  15.938
  107    HB3  PRO  15           3HB      PRO  15   0.963   4.673  17.115
  108    HG2  PRO  15           2HG      PRO  15   0.272   2.145  15.693
  109    HG3  PRO  15           3HG      PRO  15  -0.067   2.621  17.365
  110    HD2  PRO  15           2HD      PRO  15  -1.893   2.734  15.307
  111    HD3  PRO  15           3HD      PRO  15  -1.985   3.709  16.786
  112    HA   PRO  16           HA       PRO  16   2.067   5.156  11.189
  113    HB2  PRO  16           2HB      PRO  16   4.782   5.367  12.371
  114    HB3  PRO  16           3HB      PRO  16   4.060   6.274  11.037
  115    HG2  PRO  16           2HG      PRO  16   4.410   7.405  13.422
  116    HG3  PRO  16           3HG      PRO  16   2.961   7.742  12.456
  117    HD2  PRO  16           2HD      PRO  16   3.285   5.963  14.838
  118    HD3  PRO  16           3HD      PRO  16   1.935   7.030  14.400
  119    H    ALA  17           H        ALA  17   3.023   3.547   9.947
  120    HA   ALA  17           HA       ALA  17   3.210   0.991  11.262
  121    HB1  ALA  17           3HB      ALA  17   2.039   1.196   9.133
  122    HB2  ALA  17           1HB      ALA  17   3.399   0.080   9.002
  123    HB3  ALA  17           2HB      ALA  17   3.534   1.714   8.353
  124    H    SER  18           H        SER  18   4.969  -0.355  11.338
  125    HA   SER  18           HA       SER  18   7.517   0.907  11.534
  126    HB2  SER  18           2HB      SER  18   6.842  -2.040  11.646
  127    HB3  SER  18           3HB      SER  18   8.294  -1.263  12.278
  128    HG   SER  18           HG       SER  18   6.843  -1.583  13.962
  129    H    LYS  19           H        LYS  19   9.317   0.650  10.251
  130    HA   LYS  19           HA       LYS  19   8.912   0.412   7.486
  131    HB2  LYS  19           2HB      LYS  19  10.773   1.667   8.600
  132    HB3  LYS  19           3HB      LYS  19  11.530   0.132   8.985
  133    HG2  LYS  19           2HG      LYS  19  10.900   0.822   6.147
  134    HG3  LYS  19           3HG      LYS  19  12.329   1.492   6.930
  135    HD2  LYS  19           2HD      LYS  19  11.836  -1.447   7.080
  136    HD3  LYS  19           3HD      LYS  19  12.444  -0.761   5.575
  137    HE2  LYS  19           2HE      LYS  19  14.269  -1.558   6.983
  138    HE3  LYS  19           3HE      LYS  19  14.353   0.186   6.761
  139    HZ1  LYS  19           3HZ      LYS  19  13.123  -1.057   9.162
  140    HZ2  LYS  19           1HZ      LYS  19  13.607   0.556   8.945
  141    HZ3  LYS  19           2HZ      LYS  19  14.771  -0.670   9.070
  142    H    GLU  20           H        GLU  20  10.016  -1.906   9.883
  143    HA   GLU  20           HA       GLU  20  10.872  -3.943   8.170
  144    HB2  GLU  20           2HB      GLU  20   9.659  -4.123  10.933
  145    HB3  GLU  20           3HB      GLU  20  10.422  -5.469  10.100
  146    HG2  GLU  20           2HG      GLU  20  11.992  -4.576  11.641
  147    HG3  GLU  20           3HG      GLU  20  12.528  -4.141  10.022
  148    H    SER  21           H        SER  21   7.677  -3.192   9.460
  149    HA   SER  21           HA       SER  21   6.351  -5.456   8.410
  150    HB2  SER  21           2HB      SER  21   5.178  -2.734   9.024
  151    HB3  SER  21           3HB      SER  21   4.306  -4.265   8.935
  152    HG   SER  21           HG       SER  21   5.932  -4.895  10.668
  153    H    ILE  22           H        ILE  22   6.992  -2.221   7.174
  154    HA   ILE  22           HA       ILE  22   5.424  -2.432   4.823
  155    HB   ILE  22           HB       ILE  22   7.878  -0.723   5.283
  156   HG12  ILE  22          2HG1      ILE  22   4.951  -0.049   5.673
  157   HG13  ILE  22          3HG1      ILE  22   6.088  -0.386   6.975
  158   HG21  ILE  22          1HG2      ILE  22   7.304  -0.915   2.928
  159   HG22  ILE  22          2HG2      ILE  22   6.936   0.703   3.522
  160   HG23  ILE  22          3HG2      ILE  22   5.635  -0.463   3.280
  161   HD11  ILE  22          3HD1      ILE  22   7.403   1.560   6.333
  162   HD12  ILE  22          1HD1      ILE  22   5.735   1.999   6.702
  163   HD13  ILE  22          2HD1      ILE  22   6.270   1.897   5.024
  164    H    ASP  23           H        ASP  23   8.820  -3.122   5.535
  165    HA   ASP  23           HA       ASP  23   9.565  -3.790   2.885
  166    HB2  ASP  23           2HB      ASP  23  11.174  -3.264   4.723
  167    HB3  ASP  23           3HB      ASP  23  10.782  -4.814   5.460
  168    H    ALA  24           H        ALA  24   8.067  -5.562   5.480
  169    HA   ALA  24           HA       ALA  24   8.461  -8.169   4.380
  170    HB1  ALA  24           3HB      ALA  24   6.926  -8.907   6.131
  171    HB2  ALA  24           1HB      ALA  24   6.522  -7.226   6.486
  172    HB3  ALA  24           2HB      ALA  24   8.158  -7.819   6.775
  173    H    LEU  25           H        LEU  25   6.358  -5.640   3.600
  174    HA   LEU  25           HA       LEU  25   4.053  -7.073   2.825
  175    HB2  LEU  25           2HB      LEU  25   5.185  -4.457   1.838
  176    HB3  LEU  25           3HB      LEU  25   3.622  -5.086   1.353
  177    HG   LEU  25           HG       LEU  25   4.414  -4.358   4.174
  178   HD11  LEU  25          1HD1      LEU  25   2.608  -2.963   2.201
  179   HD12  LEU  25          2HD1      LEU  25   4.186  -2.397   2.754
  180   HD13  LEU  25          3HD1      LEU  25   2.838  -2.503   3.888
  181   HD21  LEU  25          3HD2      LEU  25   2.043  -4.693   4.679
  182   HD22  LEU  25          1HD2      LEU  25   2.797  -6.182   4.109
  183   HD23  LEU  25          2HD2      LEU  25   1.767  -5.242   3.026
  184    HA   PRO  26           HA       PRO  26   5.552  -9.349  -0.660
  185    HB2  PRO  26           2HB      PRO  26   3.132  -9.624  -1.954
  186    HB3  PRO  26           3HB      PRO  26   3.673 -10.645  -0.619
  187    HG2  PRO  26           2HG      PRO  26   1.841  -8.278  -0.574
  188    HG3  PRO  26           3HG      PRO  26   1.711  -9.814   0.304
  189    HD2  PRO  26           2HD      PRO  26   2.581  -7.590   1.513
  190    HD3  PRO  26           3HD      PRO  26   3.271  -9.182   1.896
  191    H    GLU  27           H        GLU  27   6.049  -9.039  -2.837
  192    HA   GLU  27           HA       GLU  27   5.273  -6.407  -3.898
  193    HB2  GLU  27           2HB      GLU  27   7.907  -7.864  -4.134
  194    HB3  GLU  27           3HB      GLU  27   7.490  -6.445  -5.091
  195    HG2  GLU  27           2HG      GLU  27   7.206  -5.137  -3.063
  196    HG3  GLU  27           3HG      GLU  27   7.574  -6.555  -2.087
  197    H    ILE  28           H        ILE  28   3.780  -6.736  -5.353
  198    HA   ILE  28           HA       ILE  28   4.024  -9.031  -7.180
  199    HB   ILE  28           HB       ILE  28   1.582  -7.348  -6.583
  200   HG12  ILE  28          2HG1      ILE  28   2.267 -10.131  -5.609
  201   HG13  ILE  28          3HG1      ILE  28   2.360  -8.672  -4.628
  202   HG21  ILE  28          1HG2      ILE  28   0.353  -9.139  -7.728
  203   HG22  ILE  28          2HG2      ILE  28   1.881  -9.944  -8.093
  204   HG23  ILE  28          3HG2      ILE  28   1.528  -8.367  -8.794
  205   HD11  ILE  28          3HD1      ILE  28   0.332  -9.927  -4.169
  206   HD12  ILE  28          1HD1      ILE  28  -0.139  -9.807  -5.863
  207   HD13  ILE  28          2HD1      ILE  28  -0.044  -8.353  -4.869
  208    H    LEU  29           H        LEU  29   4.782  -8.553  -9.133
  209    HA   LEU  29           HA       LEU  29   4.979  -5.914 -10.160
  210    HB2  LEU  29           2HB      LEU  29   6.536  -7.697 -10.800
  211    HB3  LEU  29           3HB      LEU  29   5.226  -8.579 -11.561
  212    HG   LEU  29           HG       LEU  29   4.953  -6.685 -13.166
  213   HD11  LEU  29          1HD1      LEU  29   7.506  -5.708 -11.899
  214   HD12  LEU  29          2HD1      LEU  29   5.930  -4.922 -11.805
  215   HD13  LEU  29          3HD1      LEU  29   6.758  -5.054 -13.357
  216   HD21  LEU  29          3HD2      LEU  29   7.681  -7.967 -13.083
  217   HD22  LEU  29          1HD2      LEU  29   6.917  -7.246 -14.500
  218   HD23  LEU  29          2HD2      LEU  29   6.218  -8.685 -13.758
  219    H    VAL  30           H        VAL  30   3.401  -4.732 -11.014
  220    HA   VAL  30           HA       VAL  30   0.859  -5.958 -11.626
  221    HB   VAL  30           HB       VAL  30   1.652  -3.059 -11.961
  222   HG11  VAL  30          1HG1      VAL  30  -1.052  -4.368 -11.678
  223   HG12  VAL  30          2HG1      VAL  30  -0.376  -3.703 -13.165
  224   HG13  VAL  30          3HG1      VAL  30  -0.748  -2.636 -11.810
  225   HG21  VAL  30          3HG2      VAL  30   2.020  -3.760  -9.659
  226   HG22  VAL  30          1HG2      VAL  30   0.389  -4.428  -9.591
  227   HG23  VAL  30          2HG2      VAL  30   0.621  -2.690  -9.772
  228    H    THR  31           H        THR  31   0.016  -6.337 -13.567
  229    HA   THR  31           HA       THR  31   1.376  -5.312 -15.949
  230    HB   THR  31           HB       THR  31   0.754  -7.562 -17.040
  231    HG1  THR  31           HG1      THR  31   0.887  -8.450 -14.338
  232   HG21  THR  31          3HG2      THR  31   2.853  -8.615 -16.293
  233   HG22  THR  31          1HG2      THR  31   2.955  -7.452 -14.972
  234   HG23  THR  31          2HG2      THR  31   3.063  -6.900 -16.644
  235    H    GLU  32           H        GLU  32  -0.120  -5.805 -17.937
  236    HA   GLU  32           HA       GLU  32  -2.542  -4.391 -17.435
  237    HB2  GLU  32           2HB      GLU  32  -1.604  -5.817 -19.934
  238    HB3  GLU  32           3HB      GLU  32  -2.948  -4.687 -19.848
  239    HG2  GLU  32           2HG      GLU  32  -0.058  -4.052 -19.305
  240    HG3  GLU  32           3HG      GLU  32  -0.974  -3.614 -20.746
  241    H    ASP  33           H        ASP  33  -4.556  -5.348 -18.745
  242    HA   ASP  33           HA       ASP  33  -6.217  -6.887 -18.959
  243    HB2  ASP  33           2HB      ASP  33  -4.177  -8.895 -17.974
  244    HB3  ASP  33           3HB      ASP  33  -5.806  -9.301 -18.498
  245    H    HIS  34           H        HIS  34  -4.308  -7.429 -16.016
  246    HA   HIS  34           HA       HIS  34  -6.837  -7.464 -14.502
  247    HB2  HIS  34           2HB      HIS  34  -5.399  -9.541 -14.408
  248    HB3  HIS  34           3HB      HIS  34  -4.173  -8.577 -13.596
  249    HD1  HIS  34           HD1      HIS  34  -4.197  -9.163 -11.188
  250    HD2  HIS  34           HD2      HIS  34  -8.037  -8.999 -12.785
  251    HE1  HIS  34           HE1      HIS  34  -5.756  -9.618  -9.265
  252    HE2  HIS  34           HE2      HIS  34  -8.073  -9.309 -10.215
  253    H    GLY  35           H        GLY  35  -6.185  -5.028 -15.126
  254    HA2  GLY  35           2HA      GLY  35  -4.337  -3.671 -13.480
  255    HA3  GLY  35           3HA      GLY  35  -5.725  -2.945 -14.281
  256    H    ALA  36           H        ALA  36  -7.672  -4.651 -12.987
  257    HA   ALA  36           HA       ALA  36  -7.834  -3.373 -10.407
  258    HB1  ALA  36           3HB      ALA  36  -9.616  -5.482 -11.635
  259    HB2  ALA  36           1HB      ALA  36  -9.865  -3.739 -11.735
  260    HB3  ALA  36           2HB      ALA  36  -9.961  -4.555 -10.176
  261    H    VAL  37           H        VAL  37  -5.954  -4.180  -9.421
  262    HA   VAL  37           HA       VAL  37  -5.324  -6.930  -9.216
  263    HB   VAL  37           HB       VAL  37  -4.436  -4.722  -7.348
  264   HG11  VAL  37          1HG1      VAL  37  -3.914  -6.953  -6.538
  265   HG12  VAL  37          2HG1      VAL  37  -2.443  -6.126  -7.048
  266   HG13  VAL  37          3HG1      VAL  37  -3.165  -7.358  -8.082
  267   HG21  VAL  37          3HG2      VAL  37  -3.217  -5.606  -9.963
  268   HG22  VAL  37          1HG2      VAL  37  -2.508  -4.448  -8.837
  269   HG23  VAL  37          2HG2      VAL  37  -4.022  -4.067  -9.656
  270    H    GLY  38           H        GLY  38  -7.328  -4.800  -7.353
  271    HA2  GLY  38           2HA      GLY  38  -8.348  -7.086  -5.863
  272    HA3  GLY  38           3HA      GLY  38  -7.674  -5.765  -4.911
  273    H    GLN  39           H        GLN  39  -9.574  -5.104  -3.962
  274    HA   GLN  39           HA       GLN  39 -11.941  -4.548  -5.437
  275    HB2  GLN  39           2HB      GLN  39 -12.728  -3.453  -3.414
  276    HB3  GLN  39           3HB      GLN  39 -11.934  -4.968  -3.009
  277    HG2  GLN  39           2HG      GLN  39  -9.905  -3.713  -2.403
  278    HG3  GLN  39           3HG      GLN  39 -10.753  -2.210  -2.755
  279   HE21  GLN  39          1HE2      GLN  39 -12.215  -4.996  -1.203
  280   HE22  GLN  39          2HE2      GLN  39 -12.433  -4.248   0.343
  281    H    GLU  40           H        GLU  40  -9.004  -2.855  -4.955
  282    HA   GLU  40           HA       GLU  40 -10.174  -0.386  -6.006
  283    HB2  GLU  40           2HB      GLU  40  -7.634  -0.938  -4.502
  284    HB3  GLU  40           3HB      GLU  40  -7.826   0.535  -5.442
  285    HG2  GLU  40           2HG      GLU  40  -9.502  -0.372  -3.119
  286    HG3  GLU  40           3HG      GLU  40  -8.386   0.994  -3.168
  287    H    MET  41           H        MET  41  -9.802   0.258  -7.983
  288    HA   MET  41           HA       MET  41  -7.892  -1.263  -9.622
  289    HB2  MET  41           2HB      MET  41  -9.137  -0.464 -11.547
  290    HB3  MET  41           3HB      MET  41 -10.253  -1.175 -10.387
  291    HG2  MET  41           2HG      MET  41 -10.796   1.098  -9.581
  292    HG3  MET  41           3HG      MET  41  -9.756   1.758 -10.840
  293    HE1  MET  41           3HE      MET  41 -13.107  -0.064  -9.999
  294    HE2  MET  41           1HE      MET  41 -12.250  -1.305 -10.917
  295    HE3  MET  41           2HE      MET  41 -13.686  -0.535 -11.596
  296    H    CYS  42           H        CYS  42  -8.032   1.487  -7.863
  297    HA   CYS  42           HA       CYS  42  -6.066   2.838  -9.556
  298    HB2  CYS  42           2HB      CYS  42  -7.116   5.024  -8.865
  299    HB3  CYS  42           3HB      CYS  42  -8.065   4.055  -9.986
  300    HG   CYS  42           HG       CYS  42  -8.793   3.509  -6.756
  301    H    CYS  43           H        CYS  43  -4.540   4.067  -8.474
  302    HA   CYS  43           HA       CYS  43  -4.305   3.496  -5.598
  303    HB2  CYS  43           2HB      CYS  43  -2.446   2.617  -6.865
  304    HB3  CYS  43           3HB      CYS  43  -2.237   4.146  -7.709
  305    HA   PRO  44           HA       PRO  44  -5.643   7.820  -5.414
  306    HB2  PRO  44           2HB      PRO  44  -5.477   7.914  -2.649
  307    HB3  PRO  44           3HB      PRO  44  -6.893   7.395  -3.566
  308    HG2  PRO  44           2HG      PRO  44  -4.760   5.744  -2.277
  309    HG3  PRO  44           3HG      PRO  44  -6.510   5.464  -2.343
  310    HD2  PRO  44           2HD      PRO  44  -4.844   4.115  -3.935
  311    HD3  PRO  44           3HD      PRO  44  -6.426   4.666  -4.526
  312    H    ILE  45           H        ILE  45  -2.813   6.431  -3.894
  313    HA   ILE  45           HA       ILE  45  -1.592   8.858  -3.085
  314    HB   ILE  45           HB       ILE  45  -0.201   6.254  -3.743
  315   HG12  ILE  45          2HG1      ILE  45  -1.405   7.158  -1.116
  316   HG13  ILE  45          3HG1      ILE  45  -2.090   5.925  -2.168
  317   HG21  ILE  45          1HG2      ILE  45   1.304   8.147  -3.460
  318   HG22  ILE  45          2HG2      ILE  45   1.458   7.025  -2.108
  319   HG23  ILE  45          3HG2      ILE  45   0.556   8.527  -1.907
  320   HD11  ILE  45          3HD1      ILE  45  -0.115   4.535  -1.825
  321   HD12  ILE  45          1HD1      ILE  45  -0.899   4.934  -0.297
  322   HD13  ILE  45          2HD1      ILE  45   0.575   5.773  -0.777
  323    H    CYS  46           H        CYS  46  -1.735   7.127  -6.094
  324    HA   CYS  46           HA       CYS  46   0.290   8.905  -7.284
  325    HB2  CYS  46           2HB      CYS  46  -0.923   6.342  -8.356
  326    HB3  CYS  46           3HB      CYS  46   0.297   7.306  -9.178
  327    H    CYS  47           H        CYS  47  -3.028   8.335  -7.044
  328    HA   CYS  47           HA       CYS  47  -4.898   9.006  -8.110
  329    HB2  CYS  47           2HB      CYS  47  -3.631  11.253  -7.857
  330    HB3  CYS  47           3HB      CYS  47  -3.294  11.091  -9.577
  331    HG   CYS  47           HG       CYS  47  -5.386  12.558 -10.010
  332    H    SER  48           H        SER  48  -3.013   7.075  -9.268
  333    HA   SER  48           HA       SER  48  -4.005   7.110 -12.034
  334    HB2  SER  48           2HB      SER  48  -1.314   6.017 -11.172
  335    HB3  SER  48           3HB      SER  48  -1.922   6.180 -12.819
  336    HG   SER  48           HG       SER  48  -2.078   8.573 -11.878
  337    H    GLU  49           H        GLU  49  -3.771   4.765 -12.955
  338    HA   GLU  49           HA       GLU  49  -5.075   3.046 -10.984
  339    HB2  GLU  49           2HB      GLU  49  -5.744   1.678 -12.936
  340    HB3  GLU  49           3HB      GLU  49  -6.291   3.342 -13.051
  341    HG2  GLU  49           2HG      GLU  49  -3.823   2.318 -14.425
  342    HG3  GLU  49           3HG      GLU  49  -5.418   2.317 -15.169
  343    H    TYR  50           H        TYR  50  -4.598   0.545 -11.897
  344    HA   TYR  50           HA       TYR  50  -1.752   0.227 -11.304
  345    HB2  TYR  50           2HB      TYR  50  -4.069  -1.706 -11.137
  346    HB3  TYR  50           3HB      TYR  50  -2.392  -2.172 -10.864
  347    HD1  TYR  50           HD2      TYR  50  -5.207  -0.184  -9.560
  348    HD2  TYR  50           HD1      TYR  50  -1.260  -1.589  -8.848
  349    HE1  TYR  50           HE2      TYR  50  -5.374   0.557  -7.220
  350    HE2  TYR  50           HE1      TYR  50  -1.412  -0.850  -6.508
  351    HH   TYR  50           HH       TYR  50  -4.280   0.007  -5.010
  352    H    VAL  51           H        VAL  51  -0.595   0.281 -13.097
  353    HA   VAL  51           HA       VAL  51  -1.446  -1.403 -15.352
  354    HB   VAL  51           HB       VAL  51  -0.241   0.160 -16.862
  355   HG11  VAL  51          1HG1      VAL  51  -2.651   0.307 -16.644
  356   HG12  VAL  51          2HG1      VAL  51  -1.961   1.919 -16.842
  357   HG13  VAL  51          3HG1      VAL  51  -2.481   1.369 -15.249
  358   HG21  VAL  51          3HG2      VAL  51   0.321   2.404 -16.059
  359   HG22  VAL  51          1HG2      VAL  51   1.264   1.166 -15.230
  360   HG23  VAL  51          2HG2      VAL  51  -0.106   1.922 -14.417
  361    H    LYS  52           H        LYS  52   0.366  -2.020 -16.784
  362    HA   LYS  52           HA       LYS  52   2.285  -3.518 -15.467
  363    HB2  LYS  52           2HB      LYS  52   1.728  -4.080 -17.692
  364    HB3  LYS  52           3HB      LYS  52   2.125  -2.475 -18.285
  365    HG2  LYS  52           2HG      LYS  52   4.481  -2.887 -17.927
  366    HG3  LYS  52           3HG      LYS  52   4.119  -4.463 -17.217
  367    HD2  LYS  52           2HD      LYS  52   4.860  -4.576 -19.591
  368    HD3  LYS  52           3HD      LYS  52   3.268  -5.277 -19.306
  369    HE2  LYS  52           2HE      LYS  52   3.216  -3.970 -21.329
  370    HE3  LYS  52           3HE      LYS  52   2.238  -3.175 -20.098
  371    HZ1  LYS  52           3HZ      LYS  52   3.561  -1.566 -21.260
  372    HZ2  LYS  52           1HZ      LYS  52   4.989  -2.419 -20.931
  373    HZ3  LYS  52           2HZ      LYS  52   4.133  -1.684 -19.668
  374    H    GLY  53           H        GLY  53   4.124  -3.079 -14.484
  375    HA2  GLY  53           2HA      GLY  53   6.375  -2.091 -14.915
  376    HA3  GLY  53           3HA      GLY  53   5.529  -0.581 -15.205
  377    H    ASP  54           H        ASP  54   3.658  -0.943 -13.011
  378    HA   ASP  54           HA       ASP  54   5.416  -0.007 -10.886
  379    HB2  ASP  54           2HB      ASP  54   3.124   1.022 -11.654
  380    HB3  ASP  54           3HB      ASP  54   2.429  -0.222 -10.623
  381    H    VAL  55           H        VAL  55   4.902  -0.780  -8.608
  382    HA   VAL  55           HA       VAL  55   4.507  -3.707  -8.647
  383    HB   VAL  55           HB       VAL  55   6.322  -2.130  -6.808
  384   HG11  VAL  55          1HG1      VAL  55   5.857  -5.102  -7.038
  385   HG12  VAL  55          2HG1      VAL  55   5.379  -4.067  -5.692
  386   HG13  VAL  55          3HG1      VAL  55   7.089  -4.335  -6.035
  387   HG21  VAL  55          3HG2      VAL  55   7.219  -2.264  -9.073
  388   HG22  VAL  55          1HG2      VAL  55   7.006  -4.015  -9.063
  389   HG23  VAL  55          2HG2      VAL  55   8.161  -3.260  -7.963
  390    H    ALA  56           H        ALA  56   2.804  -4.379  -7.525
  391    HA   ALA  56           HA       ALA  56   1.573  -2.527  -5.607
  392    HB1  ALA  56           3HB      ALA  56   0.147  -3.305  -7.436
  393    HB2  ALA  56           1HB      ALA  56  -0.450  -3.862  -5.871
  394    HB3  ALA  56           2HB      ALA  56   0.413  -4.975  -6.932
  395    H    THR  57           H        THR  57   0.637  -3.429  -3.653
  396    HA   THR  57           HA       THR  57   1.842  -5.930  -2.729
  397    HB   THR  57           HB       THR  57   3.212  -3.982  -1.909
  398    HG1  THR  57           HG1      THR  57   3.302  -5.833  -0.708
  399   HG21  THR  57          3HG2      THR  57   1.412  -2.354  -1.600
  400   HG22  THR  57          1HG2      THR  57   2.296  -2.608  -0.093
  401   HG23  THR  57          2HG2      THR  57   0.715  -3.355  -0.326
  402    H    GLU  58           H        GLU  58   0.762  -6.587  -0.591
  403    HA   GLU  58           HA       GLU  58  -2.099  -5.927  -0.774
  404    HB2  GLU  58           2HB      GLU  58  -1.583  -8.184  -1.662
  405    HB3  GLU  58           3HB      GLU  58  -0.897  -8.617  -0.101
  406    HG2  GLU  58           2HG      GLU  58  -3.079  -8.252   0.950
  407    HG3  GLU  58           3HG      GLU  58  -3.761  -7.854  -0.626
  408    H    LEU  59           H        LEU  59  -2.756  -4.921   0.968
  409    HA   LEU  59           HA       LEU  59  -1.434  -5.287   3.529
  410    HB2  LEU  59           2HB      LEU  59  -3.869  -3.645   2.805
  411    HB3  LEU  59           3HB      LEU  59  -3.003  -3.577   4.325
  412    HG   LEU  59           HG       LEU  59  -1.829  -2.789   1.656
  413   HD11  LEU  59          1HD1      LEU  59  -2.053  -0.491   2.462
  414   HD12  LEU  59          2HD1      LEU  59  -2.908  -1.076   3.889
  415   HD13  LEU  59          3HD1      LEU  59  -3.622  -1.276   2.289
  416   HD21  LEU  59          3HD2      LEU  59  -0.818  -2.411   4.469
  417   HD22  LEU  59          1HD2      LEU  59  -0.059  -1.795   3.003
  418   HD23  LEU  59          2HD2      LEU  59  -0.165  -3.534   3.275
  419    HA   PRO  60           HA       PRO  60  -4.211  -8.465   5.015
  420    HB2  PRO  60           2HB      PRO  60  -4.262  -7.689   7.673
  421    HB3  PRO  60           3HB      PRO  60  -3.018  -8.706   6.942
  422    HG2  PRO  60           2HG      PRO  60  -2.975  -5.775   7.517
  423    HG3  PRO  60           3HG      PRO  60  -1.678  -6.972   7.685
  424    HD2  PRO  60           2HD      PRO  60  -1.756  -5.264   5.620
  425    HD3  PRO  60           3HD      PRO  60  -1.180  -6.932   5.424
  426    H    CYS  61           H        CYS  61  -4.737  -5.122   5.225
  427    HA   CYS  61           HA       CYS  61  -7.401  -5.141   6.258
  428    HB2  CYS  61           2HB      CYS  61  -5.960  -3.176   6.448
  429    HB3  CYS  61           3HB      CYS  61  -5.833  -3.071   4.700
  430    H    HIS  62           H        HIS  62  -6.350  -6.604   3.636
  431    HA   HIS  62           HA       HIS  62  -7.284  -7.368   1.711
  432    HB2  HIS  62           2HB      HIS  62  -9.820  -5.970   2.603
  433    HB3  HIS  62           3HB      HIS  62  -9.690  -7.232   1.386
  434    HD1  HIS  62           HD1      HIS  62  -8.954  -9.654   2.339
  435    HD2  HIS  62           HD2      HIS  62 -10.223  -6.858   5.146
  436    HE1  HIS  62           HE1      HIS  62  -9.508 -10.971   4.413
  437    HE2  HIS  62           HE2      HIS  62 -10.384  -9.273   6.055
  438    H    HIS  63           H        HIS  63  -5.943  -4.827   1.890
  439    HA   HIS  63           HA       HIS  63  -7.255  -3.341  -0.283
  440    HB2  HIS  63           2HB      HIS  63  -6.405  -2.446   2.325
  441    HB3  HIS  63           3HB      HIS  63  -5.516  -1.584   1.072
  442    HD2  HIS  63           HD2      HIS  63  -8.058  -1.323  -1.057
  443    HE1  HIS  63           HE1      HIS  63  -9.831   0.877   2.099
  444    HE2  HIS  63           HE2      HIS  63  -9.991   0.230  -0.323
  445    H    TYR  64           H        TYR  64  -6.037  -2.808  -2.016
  446    HA   TYR  64           HA       TYR  64  -3.238  -3.699  -1.982
  447    HB2  TYR  64           2HB      TYR  64  -5.253  -3.568  -4.226
  448    HB3  TYR  64           3HB      TYR  64  -3.531  -3.808  -4.504
  449    HD1  TYR  64           HD1      TYR  64  -6.562  -5.307  -3.003
  450    HD2  TYR  64           HD2      TYR  64  -2.508  -5.923  -4.144
  451    HE1  TYR  64           HE1      TYR  64  -6.844  -7.729  -2.680
  452    HE2  TYR  64           HE2      TYR  64  -2.780  -8.345  -3.826
  453    HH   TYR  64           HH       TYR  64  -4.246  -9.875  -2.506
  454    H    PHE  65           H        PHE  65  -1.681  -2.304  -2.420
  455    HA   PHE  65           HA       PHE  65  -2.212   0.181  -3.846
  456    HB2  PHE  65           2HB      PHE  65  -0.950   0.082  -1.089
  457    HB3  PHE  65           3HB      PHE  65  -0.887   1.482  -2.152
  458    HD1  PHE  65           HD2      PHE  65  -3.060   2.583  -2.813
  459    HD2  PHE  65           HD1      PHE  65  -2.775  -0.286   0.315
  460    HE1  PHE  65           HE2      PHE  65  -5.201   3.375  -1.895
  461    HE2  PHE  65           HE1      PHE  65  -4.916   0.498   1.240
  462    HZ   PHE  65           HZ       PHE  65  -6.133   2.335   0.133
  463    H    HIS  66           H        HIS  66   0.130   1.316  -4.117
  464    HA   HIS  66           HA       HIS  66   1.871  -0.847  -5.038
  465    HB2  HIS  66           2HB      HIS  66   2.200   2.144  -5.344
  466    HB3  HIS  66           3HB      HIS  66   3.242   0.924  -6.056
  467    HD2  HIS  66           HD2      HIS  66   1.359  -0.911  -7.733
  468    HE1  HIS  66           HE1      HIS  66  -0.459   2.628  -9.207
  469    HE2  HIS  66           HE2      HIS  66   0.082   0.221  -9.672
  470    H    LYS  67           H        LYS  67   3.692  -1.436  -3.995
  471    HA   LYS  67           HA       LYS  67   4.034  -0.757  -1.314
  472    HB2  LYS  67           2HB      LYS  67   4.832  -2.855  -2.363
  473    HB3  LYS  67           3HB      LYS  67   6.119  -1.947  -3.143
  474    HG2  LYS  67           2HG      LYS  67   7.136  -1.437  -1.045
  475    HG3  LYS  67           3HG      LYS  67   5.759  -2.098  -0.157
  476    HD2  LYS  67           2HD      LYS  67   6.243  -4.317  -1.062
  477    HD3  LYS  67           3HD      LYS  67   7.610  -3.656  -1.956
  478    HE2  LYS  67           2HE      LYS  67   8.723  -3.075   0.115
  479    HE3  LYS  67           3HE      LYS  67   7.331  -3.631   1.046
  480    HZ1  LYS  67           3HZ      LYS  67   9.084  -5.323  -0.671
  481    HZ2  LYS  67           1HZ      LYS  67   7.705  -5.868   0.161
  482    HZ3  LYS  67           2HZ      LYS  67   9.045  -5.311   1.029
  483    HA   PRO  68           HA       PRO  68   7.874   2.019  -2.848
  484    HB2  PRO  68           2HB      PRO  68   7.015   3.388  -5.140
  485    HB3  PRO  68           3HB      PRO  68   8.259   2.139  -5.070
  486    HG2  PRO  68           2HG      PRO  68   5.378   1.911  -5.810
  487    HG3  PRO  68           3HG      PRO  68   6.784   1.064  -6.484
  488    HD2  PRO  68           2HD      PRO  68   5.117  -0.175  -4.813
  489    HD3  PRO  68           3HD      PRO  68   6.871  -0.448  -4.711
  490    H    CYS  69           H        CYS  69   4.538   2.961  -3.739
  491    HA   CYS  69           HA       CYS  69   4.992   5.625  -2.715
  492    HB2  CYS  69           2HB      CYS  69   2.589   5.990  -3.409
  493    HB3  CYS  69           3HB      CYS  69   3.703   5.554  -4.698
  494    H    VAL  70           H        VAL  70   3.277   2.720  -1.677
  495    HA   VAL  70           HA       VAL  70   1.770   4.059   0.343
  496    HB   VAL  70           HB       VAL  70   1.194   1.817  -0.717
  497   HG11  VAL  70          1HG1      VAL  70   3.307   0.686  -0.449
  498   HG12  VAL  70          2HG1      VAL  70   2.045  -0.184   0.422
  499   HG13  VAL  70          3HG1      VAL  70   3.192   0.824   1.305
  500   HG21  VAL  70          3HG2      VAL  70   0.094   0.986   1.299
  501   HG22  VAL  70          1HG2      VAL  70  -0.048   2.738   1.157
  502   HG23  VAL  70          2HG2      VAL  70   1.108   2.036   2.286
  503    H    SER  71           H        SER  71   4.965   2.724   0.177
  504    HA   SER  71           HA       SER  71   5.540   2.275   2.862
  505    HB2  SER  71           2HB      SER  71   7.049   1.652   1.006
  506    HB3  SER  71           3HB      SER  71   7.393   3.356   0.721
  507    HG   SER  71           HG       SER  71   8.929   3.094   2.127
  508    H    ILE  72           H        ILE  72   5.566   5.258   0.994
  509    HA   ILE  72           HA       ILE  72   6.758   6.867   3.011
  510    HB   ILE  72           HB       ILE  72   5.009   7.732   0.701
  511   HG12  ILE  72          2HG1      ILE  72   8.022   7.474   0.864
  512   HG13  ILE  72          3HG1      ILE  72   6.957   6.377  -0.007
  513   HG21  ILE  72          1HG2      ILE  72   7.022   9.269   2.342
  514   HG22  ILE  72          2HG2      ILE  72   5.270   9.463   2.395
  515   HG23  ILE  72          3HG2      ILE  72   6.159   9.886   0.931
  516   HD11  ILE  72          3HD1      ILE  72   8.040   7.949  -1.507
  517   HD12  ILE  72          1HD1      ILE  72   7.348   9.299  -0.608
  518   HD13  ILE  72          2HD1      ILE  72   6.293   8.192  -1.487
  519    H    TRP  73           H        TRP  73   3.427   6.139   2.088
  520    HA   TRP  73           HA       TRP  73   2.268   8.053   3.862
  521    HB2  TRP  73           2HB      TRP  73   1.097   7.284   1.841
  522    HB3  TRP  73           3HB      TRP  73   0.999   5.659   2.514
  523    HD1  TRP  73           HD1      TRP  73  -0.870   5.189   4.311
  524    HE1  TRP  73           HE1      TRP  73  -2.887   6.542   5.158
  525    HE3  TRP  73           HE3      TRP  73   0.318   9.742   2.312
  526    HZ2  TRP  73           HZ2      TRP  73  -3.852   9.193   4.989
  527    HZ3  TRP  73           HZ3      TRP  73  -1.208  11.633   2.699
  528    HH2  TRP  73           HH2      TRP  73  -3.249  11.363   4.009
  529    H    LEU  74           H        LEU  74   2.951   4.593   4.055
  530    HA   LEU  74           HA       LEU  74   1.505   4.094   6.420
  531    HB2  LEU  74           2HB      LEU  74   3.907   2.679   5.275
  532    HB3  LEU  74           3HB      LEU  74   2.971   2.088   6.635
  533    HG   LEU  74           HG       LEU  74   1.932   2.497   3.832
  534   HD11  LEU  74          1HD1      LEU  74   3.448   0.603   3.996
  535   HD12  LEU  74          2HD1      LEU  74   1.784   0.056   3.784
  536   HD13  LEU  74          3HD1      LEU  74   2.540  -0.018   5.375
  537   HD21  LEU  74          3HD2      LEU  74   0.581   1.360   6.277
  538   HD22  LEU  74          1HD2      LEU  74  -0.094   1.398   4.648
  539   HD23  LEU  74          2HD2      LEU  74   0.211   2.906   5.513
  540    H    GLN  75           H        GLN  75   4.736   5.328   5.873
  541    HA   GLN  75           HA       GLN  75   5.519   5.105   8.624
  542    HB2  GLN  75           2HB      GLN  75   6.714   6.574   6.277
  543    HB3  GLN  75           3HB      GLN  75   7.429   6.591   7.884
  544    HG2  GLN  75           2HG      GLN  75   7.726   4.199   7.822
  545    HG3  GLN  75           3HG      GLN  75   6.900   4.110   6.266
  546   HE21  GLN  75          1HE2      GLN  75   7.956   4.770   4.419
  547   HE22  GLN  75          2HE2      GLN  75   9.662   5.045   4.371
  548    H    LYS  76           H        LYS  76   3.460   7.175   6.979
  549    HA   LYS  76           HA       LYS  76   3.996   9.540   8.535
  550    HB2  LYS  76           2HB      LYS  76   1.697   8.838   6.706
  551    HB3  LYS  76           3HB      LYS  76   1.903  10.400   7.485
  552    HG2  LYS  76           2HG      LYS  76   3.997  10.734   6.283
  553    HG3  LYS  76           3HG      LYS  76   3.812   9.155   5.515
  554    HD2  LYS  76           2HD      LYS  76   1.790   9.885   4.412
  555    HD3  LYS  76           3HD      LYS  76   1.849  11.430   5.259
  556    HE2  LYS  76           2HE      LYS  76   3.875  10.418   3.266
  557    HE3  LYS  76           3HE      LYS  76   2.653  11.654   2.967
  558    HZ1  LYS  76           3HZ      LYS  76   4.504  12.905   3.445
  559    HZ2  LYS  76           1HZ      LYS  76   5.094  11.814   4.607
  560    HZ3  LYS  76           2HZ      LYS  76   3.772  12.813   4.972
  561    H    SER  77           H        SER  77   1.182   7.329   8.326
  562    HA   SER  77           HA       SER  77   0.842   7.573  11.209
  563    HB2  SER  77           2HB      SER  77  -1.341   8.375   9.273
  564    HB3  SER  77           3HB      SER  77  -1.516   8.256  11.024
  565    HG   SER  77           HG       SER  77   0.620   9.767  10.447
  566    H    GLY  78           H        GLY  78   1.156   5.547   8.796
  567    HA2  GLY  78           2HA      GLY  78   0.613   3.348   8.428
  568    HA3  GLY  78           3HA      GLY  78   0.366   3.293  10.164
  569    H    THR  79           H        THR  79  -1.336   4.399   7.228
  570    HA   THR  79           HA       THR  79  -3.692   2.915   8.060
  571    HB   THR  79           HB       THR  79  -5.005   5.135   7.373
  572    HG1  THR  79           HG1      THR  79  -2.863   6.260   8.825
  573   HG21  THR  79          3HG2      THR  79  -5.359   3.930   9.450
  574   HG22  THR  79          1HG2      THR  79  -5.251   5.661   9.763
  575   HG23  THR  79          2HG2      THR  79  -3.878   4.614  10.125
  576    H    CYS  80           H        CYS  80  -5.262   2.673   6.330
  577    HA   CYS  80           HA       CYS  80  -4.216   2.974   3.652
  578    HB2  CYS  80           2HB      CYS  80  -7.031   2.318   4.554
  579    HB3  CYS  80           3HB      CYS  80  -6.427   2.190   2.913
  580    HA   PRO  81           HA       PRO  81  -5.440   7.285   3.408
  581    HB2  PRO  81           2HB      PRO  81  -5.305   7.432   0.642
  582    HB3  PRO  81           3HB      PRO  81  -3.943   7.676   1.740
  583    HG2  PRO  81           2HG      PRO  81  -4.727   5.240   0.198
  584    HG3  PRO  81           3HG      PRO  81  -3.111   5.899   0.511
  585    HD2  PRO  81           2HD      PRO  81  -4.040   3.783   1.869
  586    HD3  PRO  81           3HD      PRO  81  -3.028   5.014   2.655
  587    H    VAL  82           H        VAL  82  -6.983   4.635   1.804
  588    HA   VAL  82           HA       VAL  82  -9.202   6.189   0.813
  589    HB   VAL  82           HB       VAL  82  -8.822   3.192   0.898
  590   HG11  VAL  82          1HG1      VAL  82 -10.577   3.135  -0.814
  591   HG12  VAL  82          2HG1      VAL  82 -10.803   4.874  -0.629
  592   HG13  VAL  82          3HG1      VAL  82 -11.168   3.791   0.713
  593   HG21  VAL  82          3HG2      VAL  82  -8.244   3.408  -1.472
  594   HG22  VAL  82          1HG2      VAL  82  -7.110   4.280  -0.441
  595   HG23  VAL  82          2HG2      VAL  82  -8.350   5.162  -1.334
  596    H    CYS  83           H        CYS  83  -8.776   3.648   3.294
  597    HA   CYS  83           HA       CYS  83 -11.572   4.023   4.078
  598    HB2  CYS  83           2HB      CYS  83 -11.384   1.860   5.173
  599    HB3  CYS  83           3HB      CYS  83 -10.780   1.736   3.521
  600    H    ARG  84           H        ARG  84  -8.406   4.721   5.134
  601    HA   ARG  84           HA       ARG  84  -7.498   5.600   6.993
  602    HB2  ARG  84           2HB      ARG  84 -10.383   6.149   7.672
  603    HB3  ARG  84           3HB      ARG  84  -9.050   6.650   8.703
  604    HG2  ARG  84           2HG      ARG  84  -9.508   7.498   5.852
  605    HG3  ARG  84           3HG      ARG  84  -9.797   8.473   7.294
  606    HD2  ARG  84           2HD      ARG  84  -7.131   7.405   6.368
  607    HD3  ARG  84           3HD      ARG  84  -7.684   9.073   6.231
  608    HE   ARG  84           HE       ARG  84  -7.611   7.976   8.931
  609   HH11  ARG  84          1HH1      ARG  84  -6.003   9.873   6.464
  610   HH12  ARG  84          2HH1      ARG  84  -4.895  10.631   7.565
  611   HH21  ARG  84          1HH2      ARG  84  -6.177   8.995  10.411
  612   HH22  ARG  84          2HH2      ARG  84  -5.012  10.145   9.825
  613    H    CYS  85           H        CYS  85  -8.597   2.718   6.863
  614    HA   CYS  85           HA       CYS  85  -8.666   2.017   9.655
  615    HB2  CYS  85           2HB      CYS  85  -9.797   0.630   7.922
  616    HB3  CYS  85           3HB      CYS  85  -8.218   0.229   7.255
  617    HG   CYS  85           HG       CYS  85  -8.696  -0.449  10.527
  618    H    MET  86           H        MET  86  -7.013   1.040  10.808
  619    HA   MET  86           HA       MET  86  -4.480   2.232  10.234
  620    HB2  MET  86           2HB      MET  86  -5.396   2.190  12.487
  621    HB3  MET  86           3HB      MET  86  -5.382   0.433  12.483
  622    HG2  MET  86           2HG      MET  86  -2.964   0.427  12.382
  623    HG3  MET  86           3HG      MET  86  -2.946   2.189  12.310
  624    HE1  MET  86           3HE      MET  86  -4.495  -0.152  15.977
  625    HE2  MET  86           1HE      MET  86  -3.934  -0.931  14.497
  626    HE3  MET  86           2HE      MET  86  -5.411   0.033  14.481
  627    H    PHE  87           H        PHE  87  -2.555   1.317   9.786
  628    HA   PHE  87           HA       PHE  87  -2.373  -1.609   9.603
  629    HB2  PHE  87           2HB      PHE  87  -2.509  -0.792   7.305
  630    HB3  PHE  87           3HB      PHE  87  -1.242   0.390   7.624
  631    HD1  PHE  87           HD1      PHE  87  -1.922  -3.247   7.422
  632    HD2  PHE  87           HD2      PHE  87   1.014  -0.168   7.392
  633    HE1  PHE  87           HE1      PHE  87  -0.212  -4.887   6.761
  634    HE2  PHE  87           HE2      PHE  87   2.728  -1.802   6.730
  635    HZ   PHE  87           HZ       PHE  87   2.116  -4.165   6.416
  636    HA   PRO  88           HA       PRO  88  -0.891  -3.308   9.987
  637    HB2  PRO  88           2HB      PRO  88  -0.430  -3.673  12.895
  638    HB3  PRO  88           3HB      PRO  88   0.104  -4.670  11.537
  639    HG2  PRO  88           2HG      PRO  88   1.832  -3.132  12.851
  640    HG3  PRO  88           3HG      PRO  88   1.932  -3.311  11.088
  641    HD2  PRO  88           2HD      PRO  88   0.809  -1.051  12.704
  642    HD3  PRO  88           3HD      PRO  88   1.816  -0.996  11.242
  643    HA   PRO  89           HA       PRO  89  -5.132  -2.961  11.026
  644    HB2  PRO  89           2HB      PRO  89  -5.591  -5.624  11.776
  645    HB3  PRO  89           3HB      PRO  89  -5.720  -4.960  10.146
  646    HG2  PRO  89           2HG      PRO  89  -3.479  -6.453  11.414
  647    HG3  PRO  89           3HG      PRO  89  -4.053  -6.492   9.738
  648    HD2  PRO  89           2HD      PRO  89  -1.821  -5.187  10.402
  649    HD3  PRO  89           3HD      PRO  89  -2.933  -4.540   9.176
  650    HA   PRO  90           HA       PRO  90  -5.571  -2.272  15.329
  651    HB2  PRO  90           2HB      PRO  90  -8.245  -2.764  15.663
  652    HB3  PRO  90           3HB      PRO  90  -7.598  -1.284  14.945
  653    HG2  PRO  90           2HG      PRO  90  -8.669  -3.732  13.596
  654    HG3  PRO  90           3HG      PRO  90  -8.962  -2.026  13.209
  655    HD2  PRO  90           2HD      PRO  90  -7.222  -3.488  11.795
  656    HD3  PRO  90           3HD      PRO  90  -6.901  -1.781  12.165
  657    H    LEU  91           H        LEU  91  -5.602  -3.308  17.270
  658    HA   LEU  91           HA       LEU  91  -5.693  -6.218  17.180
  659    HB2  LEU  91           2HB      LEU  91  -4.829  -4.353  19.398
  660    HB3  LEU  91           3HB      LEU  91  -4.677  -6.100  19.417
  661    HG   LEU  91           HG       LEU  91  -3.252  -4.242  17.510
  662   HD11  LEU  91          1HD1      LEU  91  -1.248  -4.839  18.764
  663   HD12  LEU  91          2HD1      LEU  91  -2.224  -5.793  19.882
  664   HD13  LEU  91          3HD1      LEU  91  -2.435  -4.043  19.798
  665   HD21  LEU  91          3HD2      LEU  91  -1.999  -6.230  16.851
  666   HD22  LEU  91          1HD2      LEU  91  -3.720  -6.427  16.525
  667   HD23  LEU  91          2HD2      LEU  91  -2.991  -7.219  17.923
  Start of MODEL    7
    1    H1   MET   1           1H       MET   1  -1.525 -19.078  26.954
    2    H2   MET   1           2H       MET   1  -0.793 -20.098  25.813
    3    H3   MET   1           3H       MET   1  -2.264 -19.339  25.447
    4    HA   MET   1           HA       MET   1  -1.164 -17.171  25.582
    5    HB2  MET   1           2HB      MET   1   1.324 -18.885  25.800
    6    HB3  MET   1           3HB      MET   1   1.308 -17.145  25.553
    7    HG2  MET   1           2HG      MET   1   0.367 -16.777  27.714
    8    HG3  MET   1           3HG      MET   1   0.117 -18.505  27.953
    9    HE1  MET   1           3HE      MET   1   3.263 -16.696  26.384
   10    HE2  MET   1           1HE      MET   1   4.275 -16.497  27.814
   11    HE3  MET   1           2HE      MET   1   2.753 -15.615  27.680
   12    H    GLY   2           H        GLY   2  -0.942 -16.305  23.590
   13    HA2  GLY   2           2HA      GLY   2   0.084 -17.947  21.401
   14    HA3  GLY   2           3HA      GLY   2  -1.598 -17.449  21.291
   15    H    HIS   3           H        HIS   3   1.317 -15.786  22.419
   16    HA   HIS   3           HA       HIS   3   2.252 -13.801  21.906
   17    HB2  HIS   3           2HB      HIS   3   2.755 -14.884  19.776
   18    HB3  HIS   3           3HB      HIS   3   1.186 -14.407  19.136
   19    HD1  HIS   3           HD1      HIS   3   1.643 -12.683  17.421
   20    HD2  HIS   3           HD2      HIS   3   3.951 -12.126  20.834
   21    HE1  HIS   3           HE1      HIS   3   2.865 -10.515  17.066
   22    HE2  HIS   3           HE2      HIS   3   4.068 -10.094  19.241
   23    H    HIS   4           H        HIS   4   0.694 -12.812  23.329
   24    HA   HIS   4           HA       HIS   4  -0.576 -10.592  22.038
   25    HB2  HIS   4           2HB      HIS   4  -2.214 -12.823  23.099
   26    HB3  HIS   4           3HB      HIS   4  -2.736 -11.195  23.521
   27    HD1  HIS   4           HD1      HIS   4  -2.351  -9.644  21.008
   28    HD2  HIS   4           HD2      HIS   4  -3.750 -13.563  21.000
   29    HE1  HIS   4           HE1      HIS   4  -3.596  -9.917  18.838
   30    HE2  HIS   4           HE2      HIS   4  -4.577 -12.235  18.939
   31    H    HIS   5           H        HIS   5  -0.504  -8.857  23.282
   32    HA   HIS   5           HA       HIS   5  -0.551  -9.099  26.183
   33    HB2  HIS   5           2HB      HIS   5   1.782  -7.981  24.637
   34    HB3  HIS   5           3HB      HIS   5   1.438  -7.457  26.280
   35    HD1  HIS   5           HD1      HIS   5   3.101 -10.076  24.354
   36    HD2  HIS   5           HD2      HIS   5   1.636  -9.613  28.221
   37    HE1  HIS   5           HE1      HIS   5   4.193 -11.887  25.717
   38    HE2  HIS   5           HE2      HIS   5   3.461 -11.443  28.091
   39    H    HIS   6           H        HIS   6  -2.386  -7.919  26.404
   40    HA   HIS   6           HA       HIS   6  -2.252  -5.166  25.365
   41    HB2  HIS   6           2HB      HIS   6  -4.650  -5.044  25.331
   42    HB3  HIS   6           3HB      HIS   6  -4.170  -6.494  24.466
   43    HD1  HIS   6           HD1      HIS   6  -4.831  -8.780  25.526
   44    HD2  HIS   6           HD2      HIS   6  -6.174  -5.447  27.626
   45    HE1  HIS   6           HE1      HIS   6  -6.572  -9.637  27.125
   46    HE2  HIS   6           HE2      HIS   6  -7.551  -7.566  28.175
   47    H    HIS   7           H        HIS   7  -1.997  -3.617  26.811
   48    HA   HIS   7           HA       HIS   7  -2.959  -3.904  29.507
   49    HB2  HIS   7           2HB      HIS   7  -0.645  -3.470  30.486
   50    HB3  HIS   7           3HB      HIS   7  -0.961  -5.096  29.900
   51    HD1  HIS   7           HD1      HIS   7   1.336  -2.267  29.541
   52    HD2  HIS   7           HD2      HIS   7   0.361  -5.696  27.398
   53    HE1  HIS   7           HE1      HIS   7   3.235  -2.626  27.926
   54    HE2  HIS   7           HE2      HIS   7   2.734  -4.836  26.823
   55    H    HIS   8           H        HIS   8  -1.748  -1.941  30.806
   56    HA   HIS   8           HA       HIS   8  -3.166   0.275  29.864
   57    HB2  HIS   8           2HB      HIS   8  -2.604  -0.185  32.237
   58    HB3  HIS   8           3HB      HIS   8  -0.931   0.243  31.900
   59    HD1  HIS   8           HD1      HIS   8  -0.347   2.599  32.374
   60    HD2  HIS   8           HD2      HIS   8  -4.418   2.106  31.680
   61    HE1  HIS   8           HE1      HIS   8  -1.387   4.853  32.794
   62    HE2  HIS   8           HE2      HIS   8  -3.868   4.481  32.544
   63    H    SER   9           H        SER   9  -2.711   1.363  28.097
   64    HA   SER   9           HA       SER   9  -0.388   2.963  27.863
   65    HB2  SER   9           2HB      SER   9   0.448   0.640  27.113
   66    HB3  SER   9           3HB      SER   9  -0.597   0.847  25.710
   67    HG   SER   9           HG       SER   9   0.572   2.716  25.167
   68    H    HIS  10           H        HIS  10  -1.351   4.768  27.111
   69    HA   HIS  10           HA       HIS  10  -3.821   4.444  25.606
   70    HB2  HIS  10           2HB      HIS  10  -4.103   6.923  25.982
   71    HB3  HIS  10           3HB      HIS  10  -4.112   5.916  27.420
   72    HD1  HIS  10           HD1      HIS  10  -2.626   6.629  29.260
   73    HD2  HIS  10           HD2      HIS  10  -1.557   8.377  25.645
   74    HE1  HIS  10           HE1      HIS  10  -0.820   8.289  29.818
   75    HE2  HIS  10           HE2      HIS  10  -0.405   9.517  27.658
   76    H    MET  11           H        MET  11  -3.468   4.084  23.539
   77    HA   MET  11           HA       MET  11  -1.764   5.909  22.027
   78    HB2  MET  11           2HB      MET  11  -2.304   4.443  20.091
   79    HB3  MET  11           3HB      MET  11  -1.562   3.569  21.422
   80    HG2  MET  11           2HG      MET  11  -3.783   2.771  22.112
   81    HG3  MET  11           3HG      MET  11  -4.492   3.608  20.733
   82    HE1  MET  11           3HE      MET  11  -1.038   1.711  20.807
   83    HE2  MET  11           1HE      MET  11  -1.533   0.084  20.341
   84    HE3  MET  11           2HE      MET  11  -2.057   0.756  21.884
   85    H    VAL  12           H        VAL  12  -2.573   7.638  20.993
   86    HA   VAL  12           HA       VAL  12  -5.513   7.859  20.929
   87    HB   VAL  12           HB       VAL  12  -4.555   9.373  22.567
   88   HG11  VAL  12          1HG1      VAL  12  -2.986  10.560  20.282
   89   HG12  VAL  12          2HG1      VAL  12  -2.327   9.641  21.636
   90   HG13  VAL  12          3HG1      VAL  12  -3.078  11.212  21.919
   91   HG21  VAL  12          3HG2      VAL  12  -6.549  10.106  21.405
   92   HG22  VAL  12          1HG2      VAL  12  -5.571  10.809  20.116
   93   HG23  VAL  12          2HG2      VAL  12  -5.507  11.487  21.743
   94    H    ALA  13           H        ALA  13  -2.527   8.557  19.177
   95    HA   ALA  13           HA       ALA  13  -4.116   9.617  16.947
   96    HB1  ALA  13           3HB      ALA  13  -1.136   9.719  17.403
   97    HB2  ALA  13           1HB      ALA  13  -2.276  11.018  17.751
   98    HB3  ALA  13           2HB      ALA  13  -2.012  10.500  16.087
   99    H    ASN  14           H        ASN  14  -3.036   9.088  14.734
  100    HA   ASN  14           HA       ASN  14  -2.733   6.188  14.561
  101    HB2  ASN  14           2HB      ASN  14  -3.281   8.342  12.525
  102    HB3  ASN  14           3HB      ASN  14  -2.802   6.720  12.036
  103   HD21  ASN  14          1HD2      ASN  14  -4.223   5.032  12.277
  104   HD22  ASN  14          2HD2      ASN  14  -5.888   5.252  12.687
  105    HA   PRO  15           HA       PRO  15   1.644   7.109  14.427
  106    HB2  PRO  15           2HB      PRO  15   2.507   4.644  15.031
  107    HB3  PRO  15           3HB      PRO  15   1.756   5.684  16.247
  108    HG2  PRO  15           2HG      PRO  15   0.574   3.405  14.710
  109    HG3  PRO  15           3HG      PRO  15   0.371   3.829  16.420
  110    HD2  PRO  15           2HD      PRO  15  -1.444   4.438  14.436
  111    HD3  PRO  15           3HD      PRO  15  -1.297   5.321  15.968
  112    HA   PRO  16           HA       PRO  16   2.985   5.628  10.418
  113    HB2  PRO  16           2HB      PRO  16   5.694   5.384  11.543
  114    HB3  PRO  16           3HB      PRO  16   5.113   6.429  10.244
  115    HG2  PRO  16           2HG      PRO  16   5.795   7.411  12.651
  116    HG3  PRO  16           3HG      PRO  16   4.465   8.100  11.700
  117    HD2  PRO  16           2HD      PRO  16   4.357   6.235  14.043
  118    HD3  PRO  16           3HD      PRO  16   3.334   7.640  13.670
  119    H    ALA  17           H        ALA  17   3.523   3.694   9.419
  120    HA   ALA  17           HA       ALA  17   3.225   1.347  11.051
  121    HB1  ALA  17           3HB      ALA  17   2.185   1.546   8.827
  122    HB2  ALA  17           1HB      ALA  17   3.218   0.124   8.964
  123    HB3  ALA  17           2HB      ALA  17   3.790   1.548   8.098
  124    H    SER  18           H        SER  18   4.724  -0.145  11.589
  125    HA   SER  18           HA       SER  18   7.438   0.513  11.707
  126    HB2  SER  18           2HB      SER  18   6.240  -2.265  11.820
  127    HB3  SER  18           3HB      SER  18   7.759  -1.732  12.538
  128    HG   SER  18           HG       SER  18   6.707  -0.985  14.197
  129    H    LYS  19           H        LYS  19   9.079   0.268  10.295
  130    HA   LYS  19           HA       LYS  19   8.576  -0.219   7.589
  131    HB2  LYS  19           2HB      LYS  19  10.521   1.062   8.670
  132    HB3  LYS  19           3HB      LYS  19  11.299  -0.503   8.850
  133    HG2  LYS  19           2HG      LYS  19  10.318   0.447   6.181
  134    HG3  LYS  19           3HG      LYS  19  11.889   0.933   6.809
  135    HD2  LYS  19           2HD      LYS  19  11.050  -1.949   6.570
  136    HD3  LYS  19           3HD      LYS  19  11.862  -1.077   5.267
  137    HE2  LYS  19           2HE      LYS  19  12.968  -1.313   8.057
  138    HE3  LYS  19           3HE      LYS  19  13.361  -2.441   6.761
  139    HZ1  LYS  19           3HZ      LYS  19  14.242  -0.594   5.474
  140    HZ2  LYS  19           1HZ      LYS  19  15.036  -0.720   6.967
  141    HZ3  LYS  19           2HZ      LYS  19  13.871   0.489   6.726
  142    H    GLU  20           H        GLU  20   9.537  -2.379  10.168
  143    HA   GLU  20           HA       GLU  20  10.446  -4.576   8.721
  144    HB2  GLU  20           2HB      GLU  20   8.760  -4.565  11.236
  145    HB3  GLU  20           3HB      GLU  20   9.620  -5.963  10.615
  146    HG2  GLU  20           2HG      GLU  20  10.920  -5.080  12.373
  147    HG3  GLU  20           3HG      GLU  20  11.743  -4.654  10.876
  148    H    SER  21           H        SER  21   7.152  -3.560   9.473
  149    HA   SER  21           HA       SER  21   5.943  -5.845   8.227
  150    HB2  SER  21           2HB      SER  21   4.677  -3.220   9.048
  151    HB3  SER  21           3HB      SER  21   3.834  -4.735   8.718
  152    HG   SER  21           HG       SER  21   5.488  -5.462  10.485
  153    H    ILE  22           H        ILE  22   6.693  -2.532   7.307
  154    HA   ILE  22           HA       ILE  22   5.232  -2.455   4.887
  155    HB   ILE  22           HB       ILE  22   7.781  -0.972   5.577
  156   HG12  ILE  22          2HG1      ILE  22   4.892  -0.121   5.898
  157   HG13  ILE  22          3HG1      ILE  22   5.954  -0.612   7.213
  158   HG21  ILE  22          1HG2      ILE  22   7.318  -0.933   3.194
  159   HG22  ILE  22          2HG2      ILE  22   7.019   0.655   3.901
  160   HG23  ILE  22          3HG2      ILE  22   5.665  -0.403   3.502
  161   HD11  ILE  22          3HD1      ILE  22   6.347   1.777   5.425
  162   HD12  ILE  22          1HD1      ILE  22   7.410   1.287   6.745
  163   HD13  ILE  22          2HD1      ILE  22   5.758   1.802   7.088
  164    H    ASP  23           H        ASP  23   8.547  -3.399   5.649
  165    HA   ASP  23           HA       ASP  23   9.331  -3.961   2.983
  166    HB2  ASP  23           2HB      ASP  23  11.001  -3.550   4.673
  167    HB3  ASP  23           3HB      ASP  23  10.415  -4.895   5.644
  168    H    ALA  24           H        ALA  24   7.870  -5.884   5.543
  169    HA   ALA  24           HA       ALA  24   8.171  -8.393   4.202
  170    HB1  ALA  24           3HB      ALA  24   6.393  -7.614   6.506
  171    HB2  ALA  24           1HB      ALA  24   8.019  -8.288   6.621
  172    HB3  ALA  24           2HB      ALA  24   6.703  -9.263   5.966
  173    H    LEU  25           H        LEU  25   6.146  -5.799   3.650
  174    HA   LEU  25           HA       LEU  25   3.739  -7.047   2.910
  175    HB2  LEU  25           2HB      LEU  25   5.057  -4.491   2.020
  176    HB3  LEU  25           3HB      LEU  25   3.495  -4.999   1.409
  177    HG   LEU  25           HG       LEU  25   4.145  -4.424   4.300
  178   HD11  LEU  25          1HD1      LEU  25   2.528  -2.888   2.275
  179   HD12  LEU  25          2HD1      LEU  25   4.087  -2.407   2.945
  180   HD13  LEU  25          3HD1      LEU  25   2.666  -2.494   3.988
  181   HD21  LEU  25          3HD2      LEU  25   2.463  -6.167   4.074
  182   HD22  LEU  25          1HD2      LEU  25   1.542  -5.152   2.964
  183   HD23  LEU  25          2HD2      LEU  25   1.734  -4.668   4.649
  184    HA   PRO  26           HA       PRO  26   5.101  -9.532  -0.459
  185    HB2  PRO  26           2HB      PRO  26   2.624  -9.837  -1.641
  186    HB3  PRO  26           3HB      PRO  26   3.227 -10.797  -0.289
  187    HG2  PRO  26           2HG      PRO  26   1.402  -8.429  -0.264
  188    HG3  PRO  26           3HG      PRO  26   1.327  -9.918   0.699
  189    HD2  PRO  26           2HD      PRO  26   2.253  -7.627   1.738
  190    HD3  PRO  26           3HD      PRO  26   2.968  -9.194   2.171
  191    H    GLU  27           H        GLU  27   6.087  -8.921  -2.219
  192    HA   GLU  27           HA       GLU  27   5.376  -6.481  -3.590
  193    HB2  GLU  27           2HB      GLU  27   7.496  -8.516  -4.296
  194    HB3  GLU  27           3HB      GLU  27   7.380  -6.869  -4.901
  195    HG2  GLU  27           2HG      GLU  27   7.846  -5.984  -2.719
  196    HG3  GLU  27           3HG      GLU  27   7.818  -7.603  -2.018
  197    H    ILE  28           H        ILE  28   3.800  -6.461  -5.041
  198    HA   ILE  28           HA       ILE  28   3.457  -8.815  -6.788
  199    HB   ILE  28           HB       ILE  28   1.419  -6.684  -6.096
  200   HG12  ILE  28          2HG1      ILE  28   1.557  -9.578  -5.215
  201   HG13  ILE  28          3HG1      ILE  28   1.978  -8.203  -4.203
  202   HG21  ILE  28          1HG2      ILE  28   1.102  -9.256  -7.638
  203   HG22  ILE  28          2HG2      ILE  28   1.118  -7.635  -8.333
  204   HG23  ILE  28          3HG2      ILE  28  -0.184  -8.114  -7.243
  205   HD11  ILE  28          3HD1      ILE  28  -0.736  -8.788  -5.358
  206   HD12  ILE  28          1HD1      ILE  28  -0.325  -7.392  -4.364
  207   HD13  ILE  28          2HD1      ILE  28  -0.242  -9.017  -3.682
  208    H    LEU  29           H        LEU  29   4.474  -8.454  -8.670
  209    HA   LEU  29           HA       LEU  29   4.997  -5.872  -9.726
  210    HB2  LEU  29           2HB      LEU  29   6.355  -7.865 -10.249
  211    HB3  LEU  29           3HB      LEU  29   4.999  -8.545 -11.129
  212    HG   LEU  29           HG       LEU  29   5.119  -6.687 -12.741
  213   HD11  LEU  29          1HD1      LEU  29   7.003  -5.158 -12.727
  214   HD12  LEU  29          2HD1      LEU  29   7.600  -5.876 -11.233
  215   HD13  LEU  29          3HD1      LEU  29   6.073  -4.996 -11.237
  216   HD21  LEU  29          3HD2      LEU  29   7.714  -8.166 -12.334
  217   HD22  LEU  29          1HD2      LEU  29   7.204  -7.375 -13.826
  218   HD23  LEU  29          2HD2      LEU  29   6.300  -8.758 -13.208
  219    H    VAL  30           H        VAL  30   3.639  -4.538 -10.710
  220    HA   VAL  30           HA       VAL  30   0.947  -5.433 -11.228
  221    HB   VAL  30           HB       VAL  30   2.140  -2.679 -11.581
  222   HG11  VAL  30          1HG1      VAL  30  -0.731  -3.592 -11.437
  223   HG12  VAL  30          2HG1      VAL  30   0.102  -3.005 -12.876
  224   HG13  VAL  30          3HG1      VAL  30  -0.187  -1.916 -11.518
  225   HG21  VAL  30          3HG2      VAL  30   1.099  -2.160  -9.433
  226   HG22  VAL  30          1HG2      VAL  30   2.301  -3.442  -9.271
  227   HG23  VAL  30          2HG2      VAL  30   0.582  -3.839  -9.276
  228    H    THR  31           H        THR  31   0.140  -5.990 -13.097
  229    HA   THR  31           HA       THR  31   1.325  -4.904 -15.556
  230    HB   THR  31           HB       THR  31   0.451  -7.036 -16.665
  231    HG1  THR  31           HG1      THR  31  -0.154  -8.688 -15.408
  232   HG21  THR  31          3HG2      THR  31   2.834  -6.638 -16.322
  233   HG22  THR  31          1HG2      THR  31   2.444  -8.338 -16.066
  234   HG23  THR  31          2HG2      THR  31   2.718  -7.279 -14.683
  235    H    GLU  32           H        GLU  32  -0.127  -4.052 -17.011
  236    HA   GLU  32           HA       GLU  32  -2.638  -3.223 -16.052
  237    HB2  GLU  32           2HB      GLU  32  -1.406  -3.185 -18.797
  238    HB3  GLU  32           3HB      GLU  32  -2.990  -2.498 -18.460
  239    HG2  GLU  32           2HG      GLU  32  -2.089  -0.866 -17.028
  240    HG3  GLU  32           3HG      GLU  32  -0.527  -1.681 -16.959
  241    H    ASP  33           H        ASP  33  -1.699  -6.153 -17.409
  242    HA   ASP  33           HA       ASP  33  -4.056  -6.999 -18.687
  243    HB2  ASP  33           2HB      ASP  33  -2.078  -8.658 -17.101
  244    HB3  ASP  33           3HB      ASP  33  -3.228  -9.271 -18.286
  245    H    HIS  34           H        HIS  34  -3.082  -6.777 -15.355
  246    HA   HIS  34           HA       HIS  34  -5.804  -7.463 -14.512
  247    HB2  HIS  34           2HB      HIS  34  -4.400  -9.440 -14.106
  248    HB3  HIS  34           3HB      HIS  34  -3.250  -8.455 -13.212
  249    HD1  HIS  34           HD1      HIS  34  -3.539  -8.483 -10.767
  250    HD2  HIS  34           HD2      HIS  34  -7.065  -9.443 -12.755
  251    HE1  HIS  34           HE1      HIS  34  -5.193  -9.090  -8.968
  252    HE2  HIS  34           HE2      HIS  34  -7.246  -9.860 -10.205
  253    H    GLY  35           H        GLY  35  -6.091  -5.187 -14.425
  254    HA2  GLY  35           2HA      GLY  35  -4.356  -3.556 -12.811
  255    HA3  GLY  35           3HA      GLY  35  -5.847  -3.048 -13.588
  256    H    ALA  36           H        ALA  36  -7.508  -5.086 -12.348
  257    HA   ALA  36           HA       ALA  36  -7.825  -3.722  -9.797
  258    HB1  ALA  36           3HB      ALA  36  -9.625  -5.768 -11.089
  259    HB2  ALA  36           1HB      ALA  36  -9.789  -4.017 -11.242
  260    HB3  ALA  36           2HB      ALA  36  -9.993  -4.787  -9.668
  261    H    VAL  37           H        VAL  37  -6.068  -4.570  -8.682
  262    HA   VAL  37           HA       VAL  37  -5.706  -7.387  -8.335
  263    HB   VAL  37           HB       VAL  37  -4.570  -5.245  -6.541
  264   HG11  VAL  37          1HG1      VAL  37  -4.233  -7.549  -5.823
  265   HG12  VAL  37          2HG1      VAL  37  -2.707  -6.820  -6.325
  266   HG13  VAL  37          3HG1      VAL  37  -3.540  -7.948  -7.395
  267   HG21  VAL  37          3HG2      VAL  37  -4.169  -4.568  -8.850
  268   HG22  VAL  37          1HG2      VAL  37  -3.495  -6.158  -9.207
  269   HG23  VAL  37          2HG2      VAL  37  -2.672  -5.085  -8.075
  270    H    GLY  38           H        GLY  38  -7.562  -4.933  -6.789
  271    HA2  GLY  38           2HA      GLY  38  -8.907  -6.921  -5.180
  272    HA3  GLY  38           3HA      GLY  38  -8.027  -5.716  -4.246
  273    H    GLN  39           H        GLN  39  -9.642  -4.497  -3.385
  274    HA   GLN  39           HA       GLN  39 -11.931  -3.642  -4.837
  275    HB2  GLN  39           2HB      GLN  39 -12.032  -3.633  -2.435
  276    HB3  GLN  39           3HB      GLN  39 -10.620  -2.589  -2.323
  277    HG2  GLN  39           2HG      GLN  39 -11.899  -0.788  -3.404
  278    HG3  GLN  39           3HG      GLN  39 -13.312  -1.834  -3.433
  279   HE21  GLN  39          1HE2      GLN  39 -11.115  -0.034  -1.406
  280   HE22  GLN  39          2HE2      GLN  39 -12.158   0.024  -0.014
  281    H    GLU  40           H        GLU  40  -8.804  -2.231  -4.104
  282    HA   GLU  40           HA       GLU  40  -9.295   0.242  -5.421
  283    HB2  GLU  40           2HB      GLU  40  -6.743  -1.095  -4.509
  284    HB3  GLU  40           3HB      GLU  40  -6.797   0.509  -5.219
  285    HG2  GLU  40           2HG      GLU  40  -6.668   0.682  -2.829
  286    HG3  GLU  40           3HG      GLU  40  -8.237   1.260  -3.377
  287    H    MET  41           H        MET  41  -9.610   0.352  -7.532
  288    HA   MET  41           HA       MET  41  -8.108  -1.378  -9.351
  289    HB2  MET  41           2HB      MET  41  -9.604  -0.645 -11.073
  290    HB3  MET  41           3HB      MET  41 -10.587  -0.993  -9.658
  291    HG2  MET  41           2HG      MET  41  -9.686   1.755 -10.494
  292    HG3  MET  41           3HG      MET  41 -11.261   1.055 -10.858
  293    HE1  MET  41           3HE      MET  41 -12.088  -0.458  -8.261
  294    HE2  MET  41           1HE      MET  41 -13.153   0.656  -9.120
  295    HE3  MET  41           2HE      MET  41 -12.944   0.804  -7.375
  296    H    CYS  42           H        CYS  42  -7.718   1.459  -7.793
  297    HA   CYS  42           HA       CYS  42  -5.764   2.427  -9.708
  298    HB2  CYS  42           2HB      CYS  42  -6.619   4.781  -9.360
  299    HB3  CYS  42           3HB      CYS  42  -7.654   3.745 -10.337
  300    HG   CYS  42           HG       CYS  42  -9.653   3.461  -8.558
  301    H    CYS  43           H        CYS  43  -4.457   4.233  -8.686
  302    HA   CYS  43           HA       CYS  43  -4.093   3.666  -5.812
  303    HB2  CYS  43           2HB      CYS  43  -2.233   2.850  -7.244
  304    HB3  CYS  43           3HB      CYS  43  -2.008   4.481  -7.852
  305    HA   PRO  44           HA       PRO  44  -5.544   8.015  -6.040
  306    HB2  PRO  44           2HB      PRO  44  -5.975   8.147  -3.310
  307    HB3  PRO  44           3HB      PRO  44  -7.173   7.623  -4.496
  308    HG2  PRO  44           2HG      PRO  44  -5.394   5.980  -2.744
  309    HG3  PRO  44           3HG      PRO  44  -7.089   5.712  -3.191
  310    HD2  PRO  44           2HD      PRO  44  -5.100   4.330  -4.342
  311    HD3  PRO  44           3HD      PRO  44  -6.534   4.832  -5.263
  312    H    ILE  45           H        ILE  45  -3.153   6.542  -3.983
  313    HA   ILE  45           HA       ILE  45  -2.057   8.748  -2.713
  314    HB   ILE  45           HB       ILE  45  -0.553   6.310  -3.680
  315   HG12  ILE  45          2HG1      ILE  45  -2.015   6.776  -1.069
  316   HG13  ILE  45          3HG1      ILE  45  -2.581   5.742  -2.376
  317   HG21  ILE  45          1HG2      ILE  45   0.915   6.770  -1.750
  318   HG22  ILE  45          2HG2      ILE  45   0.020   8.260  -1.450
  319   HG23  ILE  45          3HG2      ILE  45   0.939   8.068  -2.943
  320   HD11  ILE  45          3HD1      ILE  45  -0.071   5.335  -0.767
  321   HD12  ILE  45          1HD1      ILE  45  -0.638   4.298  -2.076
  322   HD13  ILE  45          2HD1      ILE  45  -1.580   4.440  -0.591
  323    H    CYS  46           H        CYS  46  -1.385   7.470  -5.954
  324    HA   CYS  46           HA       CYS  46   0.249   9.873  -6.434
  325    HB2  CYS  46           2HB      CYS  46   1.469   8.607  -8.167
  326    HB3  CYS  46           3HB      CYS  46   1.650   7.892  -6.571
  327    H    CYS  47           H        CYS  47  -2.687   8.798  -6.860
  328    HA   CYS  47           HA       CYS  47  -4.400   9.068  -8.308
  329    HB2  CYS  47           2HB      CYS  47  -2.717  11.398  -9.250
  330    HB3  CYS  47           3HB      CYS  47  -4.441  11.189  -9.540
  331    HG   CYS  47           HG       CYS  47  -3.580  11.068  -6.302
  332    H    SER  48           H        SER  48  -3.510   7.006  -9.249
  333    HA   SER  48           HA       SER  48  -3.446   7.275 -12.123
  334    HB2  SER  48           2HB      SER  48  -1.362   6.169 -12.503
  335    HB3  SER  48           3HB      SER  48  -1.015   7.436 -11.326
  336    HG   SER  48           HG       SER  48  -1.173   4.653 -10.975
  337    H    GLU  49           H        GLU  49  -3.543   5.066 -13.152
  338    HA   GLU  49           HA       GLU  49  -4.989   3.206 -11.443
  339    HB2  GLU  49           2HB      GLU  49  -5.324   1.891 -13.515
  340    HB3  GLU  49           3HB      GLU  49  -5.894   3.545 -13.671
  341    HG2  GLU  49           2HG      GLU  49  -3.158   2.797 -14.610
  342    HG3  GLU  49           3HG      GLU  49  -4.572   2.457 -15.605
  343    H    TYR  50           H        TYR  50  -4.276   0.766 -12.399
  344    HA   TYR  50           HA       TYR  50  -1.550   0.521 -11.410
  345    HB2  TYR  50           2HB      TYR  50  -3.807  -1.435 -11.751
  346    HB3  TYR  50           3HB      TYR  50  -2.152  -1.988 -11.485
  347    HD1  TYR  50           HD1      TYR  50  -1.018  -1.557  -9.386
  348    HD2  TYR  50           HD2      TYR  50  -5.041  -0.311  -9.982
  349    HE1  TYR  50           HE1      TYR  50  -1.243  -1.147  -6.975
  350    HE2  TYR  50           HE2      TYR  50  -5.275   0.098  -7.568
  351    HH   TYR  50           HH       TYR  50  -4.219  -0.593  -5.455
  352    H    VAL  51           H        VAL  51  -0.363   1.214 -13.106
  353    HA   VAL  51           HA       VAL  51  -0.696   0.052 -15.731
  354    HB   VAL  51           HB       VAL  51   1.191   1.512 -16.386
  355   HG11  VAL  51          1HG1      VAL  51   0.023   3.647 -16.088
  356   HG12  VAL  51          2HG1      VAL  51  -1.005   2.906 -14.860
  357   HG13  VAL  51          3HG1      VAL  51  -1.088   2.348 -16.531
  358   HG21  VAL  51          3HG2      VAL  51   2.421   1.510 -14.279
  359   HG22  VAL  51          1HG2      VAL  51   1.121   2.415 -13.506
  360   HG23  VAL  51          2HG2      VAL  51   2.067   3.159 -14.796
  361    H    LYS  52           H        LYS  52   1.106  -0.912 -16.884
  362    HA   LYS  52           HA       LYS  52   2.260  -3.015 -15.333
  363    HB2  LYS  52           2HB      LYS  52   1.459  -3.337 -17.639
  364    HB3  LYS  52           3HB      LYS  52   2.704  -2.244 -18.221
  365    HG2  LYS  52           2HG      LYS  52   4.427  -3.795 -17.427
  366    HG3  LYS  52           3HG      LYS  52   3.163  -4.895 -16.872
  367    HD2  LYS  52           2HD      LYS  52   3.533  -3.987 -19.725
  368    HD3  LYS  52           3HD      LYS  52   4.102  -5.523 -19.072
  369    HE2  LYS  52           2HE      LYS  52   1.861  -6.237 -18.626
  370    HE3  LYS  52           3HE      LYS  52   1.220  -4.647 -19.034
  371    HZ1  LYS  52           3HZ      LYS  52   1.804  -4.955 -21.299
  372    HZ2  LYS  52           1HZ      LYS  52   0.968  -6.347 -20.809
  373    HZ3  LYS  52           2HZ      LYS  52   2.659  -6.383 -20.966
  374    H    GLY  53           H        GLY  53   4.094  -2.908 -14.222
  375    HA2  GLY  53           2HA      GLY  53   6.559  -2.606 -14.585
  376    HA3  GLY  53           3HA      GLY  53   6.153  -0.986 -15.131
  377    H    ASP  54           H        ASP  54   4.012  -0.992 -12.953
  378    HA   ASP  54           HA       ASP  54   5.718   0.076 -10.861
  379    HB2  ASP  54           2HB      ASP  54   3.426   1.027 -11.734
  380    HB3  ASP  54           3HB      ASP  54   2.728  -0.165 -10.646
  381    H    VAL  55           H        VAL  55   5.143  -0.558  -8.543
  382    HA   VAL  55           HA       VAL  55   4.784  -3.486  -8.427
  383    HB   VAL  55           HB       VAL  55   6.420  -1.781  -6.536
  384   HG11  VAL  55          1HG1      VAL  55   5.469  -3.724  -5.434
  385   HG12  VAL  55          2HG1      VAL  55   7.206  -3.938  -5.649
  386   HG13  VAL  55          3HG1      VAL  55   6.076  -4.774  -6.714
  387   HG21  VAL  55          3HG2      VAL  55   8.376  -2.874  -7.522
  388   HG22  VAL  55          1HG2      VAL  55   7.487  -1.936  -8.722
  389   HG23  VAL  55          2HG2      VAL  55   7.332  -3.693  -8.684
  390    H    ALA  56           H        ALA  56   3.185  -4.227  -7.170
  391    HA   ALA  56           HA       ALA  56   1.812  -2.299  -5.420
  392    HB1  ALA  56           3HB      ALA  56  -0.191  -3.654  -5.687
  393    HB2  ALA  56           1HB      ALA  56   0.694  -4.787  -6.707
  394    HB3  ALA  56           2HB      ALA  56   0.425  -3.131  -7.256
  395    H    THR  57           H        THR  57   0.544  -3.533  -3.645
  396    HA   THR  57           HA       THR  57   1.934  -5.853  -2.616
  397    HB   THR  57           HB       THR  57   3.276  -3.977  -1.740
  398    HG1  THR  57           HG1      THR  57   1.676  -5.133   0.316
  399   HG21  THR  57          3HG2      THR  57   1.584  -2.233  -1.713
  400   HG22  THR  57          1HG2      THR  57   2.280  -2.427  -0.106
  401   HG23  THR  57          2HG2      THR  57   0.687  -3.093  -0.462
  402    H    GLU  58           H        GLU  58   0.809  -6.781  -0.753
  403    HA   GLU  58           HA       GLU  58  -2.034  -6.034  -0.715
  404    HB2  GLU  58           2HB      GLU  58  -1.621  -8.345  -1.419
  405    HB3  GLU  58           3HB      GLU  58  -0.717  -8.646   0.061
  406    HG2  GLU  58           2HG      GLU  58  -2.795  -8.113   1.341
  407    HG3  GLU  58           3HG      GLU  58  -3.652  -8.049  -0.197
  408    H    LEU  59           H        LEU  59  -2.778  -5.074   1.037
  409    HA   LEU  59           HA       LEU  59  -1.303  -5.261   3.546
  410    HB2  LEU  59           2HB      LEU  59  -3.825  -3.739   2.849
  411    HB3  LEU  59           3HB      LEU  59  -2.953  -3.620   4.365
  412    HG   LEU  59           HG       LEU  59  -1.855  -2.800   1.672
  413   HD11  LEU  59          1HD1      LEU  59  -2.126  -0.512   2.494
  414   HD12  LEU  59          2HD1      LEU  59  -2.911  -1.128   3.947
  415   HD13  LEU  59          3HD1      LEU  59  -3.676  -1.344   2.373
  416   HD21  LEU  59          3HD2      LEU  59  -0.770  -2.406   4.456
  417   HD22  LEU  59          1HD2      LEU  59  -0.062  -1.780   2.967
  418   HD23  LEU  59          2HD2      LEU  59  -0.132  -3.519   3.248
  419    HA   PRO  60           HA       PRO  60  -3.821  -8.590   5.132
  420    HB2  PRO  60           2HB      PRO  60  -3.812  -7.839   7.793
  421    HB3  PRO  60           3HB      PRO  60  -2.519  -8.747   7.003
  422    HG2  PRO  60           2HG      PRO  60  -2.698  -5.822   7.590
  423    HG3  PRO  60           3HG      PRO  60  -1.304  -6.912   7.720
  424    HD2  PRO  60           2HD      PRO  60  -1.567  -5.227   5.652
  425    HD3  PRO  60           3HD      PRO  60  -0.885  -6.853   5.438
  426    H    CYS  61           H        CYS  61  -4.575  -5.312   5.286
  427    HA   CYS  61           HA       CYS  61  -7.198  -5.581   6.462
  428    HB2  CYS  61           2HB      CYS  61  -5.793  -3.569   6.799
  429    HB3  CYS  61           3HB      CYS  61  -5.844  -3.254   5.071
  430    H    HIS  62           H        HIS  62  -6.248  -6.900   3.847
  431    HA   HIS  62           HA       HIS  62  -7.130  -7.540   1.863
  432    HB2  HIS  62           2HB      HIS  62  -9.640  -6.608   3.252
  433    HB3  HIS  62           3HB      HIS  62  -9.655  -7.399   1.678
  434    HD1  HIS  62           HD1      HIS  62  -8.400  -9.862   1.716
  435    HD2  HIS  62           HD2      HIS  62  -9.799  -8.342   5.329
  436    HE1  HIS  62           HE1      HIS  62  -8.562 -11.836   3.268
  437    HE2  HIS  62           HE2      HIS  62  -9.237 -10.864   5.498
  438    H    HIS  63           H        HIS  63  -5.960  -5.013   1.901
  439    HA   HIS  63           HA       HIS  63  -7.420  -3.742  -0.288
  440    HB2  HIS  63           2HB      HIS  63  -6.411  -2.441   2.218
  441    HB3  HIS  63           3HB      HIS  63  -6.428  -1.522   0.713
  442    HD2  HIS  63           HD2      HIS  63  -9.287  -2.533  -0.451
  443    HE1  HIS  63           HE1      HIS  63 -10.892  -1.020   3.152
  444    HE2  HIS  63           HE2      HIS  63 -11.405  -1.981   0.902
  445    H    TYR  64           H        TYR  64  -6.142  -2.847  -1.899
  446    HA   TYR  64           HA       TYR  64  -3.332  -3.750  -1.776
  447    HB2  TYR  64           2HB      TYR  64  -5.272  -3.908  -4.093
  448    HB3  TYR  64           3HB      TYR  64  -3.550  -4.234  -4.226
  449    HD1  TYR  64           HD1      TYR  64  -6.691  -5.410  -2.645
  450    HD2  TYR  64           HD2      TYR  64  -2.666  -6.344  -3.649
  451    HE1  TYR  64           HE1      TYR  64  -7.097  -7.764  -2.056
  452    HE2  TYR  64           HE2      TYR  64  -3.057  -8.698  -3.063
  453    HH   TYR  64           HH       TYR  64  -4.580 -10.026  -1.648
  454    H    PHE  65           H        PHE  65  -1.817  -2.335  -2.389
  455    HA   PHE  65           HA       PHE  65  -2.543  -0.009  -3.997
  456    HB2  PHE  65           2HB      PHE  65  -1.199   0.187  -1.288
  457    HB3  PHE  65           3HB      PHE  65  -1.315   1.511  -2.440
  458    HD1  PHE  65           HD2      PHE  65  -3.547   2.443  -3.013
  459    HD2  PHE  65           HD1      PHE  65  -2.991  -0.358   0.138
  460    HE1  PHE  65           HE2      PHE  65  -5.728   3.078  -2.068
  461    HE2  PHE  65           HE1      PHE  65  -5.170   0.269   1.089
  462    HZ   PHE  65           HZ       PHE  65  -6.543   1.990  -0.013
  463    H    HIS  66           H        HIS  66  -0.529   1.191  -4.693
  464    HA   HIS  66           HA       HIS  66   1.540  -0.531  -5.556
  465    HB2  HIS  66           2HB      HIS  66   1.362   2.470  -5.355
  466    HB3  HIS  66           3HB      HIS  66   2.833   1.671  -5.887
  467    HD2  HIS  66           HD2      HIS  66   1.145  -0.526  -7.863
  468    HE1  HIS  66           HE1      HIS  66   0.184   3.047  -9.943
  469    HE2  HIS  66           HE2      HIS  66   0.527   0.562 -10.121
  470    H    LYS  67           H        LYS  67   3.332  -1.235  -4.530
  471    HA   LYS  67           HA       LYS  67   3.548  -1.040  -1.755
  472    HB2  LYS  67           2HB      LYS  67   4.496  -2.890  -3.084
  473    HB3  LYS  67           3HB      LYS  67   5.721  -1.800  -3.714
  474    HG2  LYS  67           2HG      LYS  67   6.619  -1.494  -1.461
  475    HG3  LYS  67           3HG      LYS  67   5.381  -2.580  -0.823
  476    HD2  LYS  67           2HD      LYS  67   6.267  -4.415  -2.133
  477    HD3  LYS  67           3HD      LYS  67   7.445  -3.341  -2.888
  478    HE2  LYS  67           2HE      LYS  67   8.565  -4.590  -1.185
  479    HE3  LYS  67           3HE      LYS  67   8.411  -2.926  -0.630
  480    HZ1  LYS  67           3HZ      LYS  67   6.652  -5.181   0.189
  481    HZ2  LYS  67           1HZ      LYS  67   6.546  -3.585   0.748
  482    HZ3  LYS  67           2HZ      LYS  67   7.903  -4.518   1.118
  483    HA   PRO  68           HA       PRO  68   7.205   2.178  -2.465
  484    HB2  PRO  68           2HB      PRO  68   6.768   3.670  -4.771
  485    HB3  PRO  68           3HB      PRO  68   7.992   2.412  -4.585
  486    HG2  PRO  68           2HG      PRO  68   5.284   2.257  -5.832
  487    HG3  PRO  68           3HG      PRO  68   6.802   1.490  -6.339
  488    HD2  PRO  68           2HD      PRO  68   4.895   0.096  -5.081
  489    HD3  PRO  68           3HD      PRO  68   6.616  -0.203  -4.760
  490    H    CYS  69           H        CYS  69   4.074   2.915  -3.991
  491    HA   CYS  69           HA       CYS  69   3.841   5.549  -3.056
  492    HB2  CYS  69           2HB      CYS  69   1.615   3.600  -3.687
  493    HB3  CYS  69           3HB      CYS  69   1.451   5.345  -3.563
  494    H    VAL  70           H        VAL  70   2.585   2.500  -1.705
  495    HA   VAL  70           HA       VAL  70   1.219   3.804   0.419
  496    HB   VAL  70           HB       VAL  70   0.667   1.517  -0.521
  497   HG11  VAL  70          1HG1      VAL  70   2.884   0.535  -0.480
  498   HG12  VAL  70          2HG1      VAL  70   1.760  -0.418   0.489
  499   HG13  VAL  70          3HG1      VAL  70   2.920   0.651   1.280
  500   HG21  VAL  70          3HG2      VAL  70   0.928   1.766   2.469
  501   HG22  VAL  70          1HG2      VAL  70  -0.146   0.660   1.613
  502   HG23  VAL  70          2HG2      VAL  70  -0.392   2.403   1.486
  503    H    SER  71           H        SER  71   4.463   2.612  -0.002
  504    HA   SER  71           HA       SER  71   5.238   2.447   2.697
  505    HB2  SER  71           2HB      SER  71   6.906   3.185   0.279
  506    HB3  SER  71           3HB      SER  71   7.546   2.704   1.851
  507    HG   SER  71           HG       SER  71   5.905   1.118   0.148
  508    H    ILE  72           H        ILE  72   5.065   5.145   0.447
  509    HA   ILE  72           HA       ILE  72   6.323   7.065   2.105
  510    HB   ILE  72           HB       ILE  72   4.221   7.551  -0.019
  511   HG12  ILE  72          2HG1      ILE  72   7.236   7.518  -0.277
  512   HG13  ILE  72          3HG1      ILE  72   6.168   6.235  -0.834
  513   HG21  ILE  72          1HG2      ILE  72   4.594   9.476   1.432
  514   HG22  ILE  72          2HG2      ILE  72   5.233   9.777  -0.184
  515   HG23  ILE  72          3HG2      ILE  72   6.330   9.375   1.137
  516   HD11  ILE  72          3HD1      ILE  72   6.194   9.069  -1.846
  517   HD12  ILE  72          1HD1      ILE  72   5.135   7.777  -2.414
  518   HD13  ILE  72          2HD1      ILE  72   6.878   7.664  -2.664
  519    H    TRP  73           H        TRP  73   2.951   6.096   1.643
  520    HA   TRP  73           HA       TRP  73   1.859   8.041   3.400
  521    HB2  TRP  73           2HB      TRP  73   0.512   6.935   1.664
  522    HB3  TRP  73           3HB      TRP  73   0.700   5.395   2.495
  523    HD1  TRP  73           HD1      TRP  73  -0.949   4.866   4.440
  524    HE1  TRP  73           HE1      TRP  73  -2.960   6.098   5.480
  525    HE3  TRP  73           HE3      TRP  73  -0.353   9.419   2.200
  526    HZ2  TRP  73           HZ2      TRP  73  -4.139   8.654   5.354
  527    HZ3  TRP  73           HZ3      TRP  73  -1.968  11.202   2.708
  528    HH2  TRP  73           HH2      TRP  73  -3.822  10.828   4.252
  529    H    LEU  74           H        LEU  74   2.703   4.618   3.804
  530    HA   LEU  74           HA       LEU  74   1.675   4.294   6.387
  531    HB2  LEU  74           2HB      LEU  74   3.933   2.852   5.006
  532    HB3  LEU  74           3HB      LEU  74   3.228   2.344   6.528
  533    HG   LEU  74           HG       LEU  74   1.768   2.514   3.893
  534   HD11  LEU  74          1HD1      LEU  74   1.732   0.068   4.024
  535   HD12  LEU  74          2HD1      LEU  74   2.744   0.136   5.468
  536   HD13  LEU  74          3HD1      LEU  74   3.375   0.702   3.920
  537   HD21  LEU  74          3HD2      LEU  74  -0.064   1.415   5.055
  538   HD22  LEU  74          1HD2      LEU  74   0.313   2.965   5.809
  539   HD23  LEU  74          2HD2      LEU  74   0.846   1.463   6.567
  540    H    GLN  75           H        GLN  75   4.835   5.458   5.322
  541    HA   GLN  75           HA       GLN  75   6.006   5.377   7.917
  542    HB2  GLN  75           2HB      GLN  75   6.797   6.832   5.399
  543    HB3  GLN  75           3HB      GLN  75   7.735   6.909   6.885
  544    HG2  GLN  75           2HG      GLN  75   8.065   4.507   6.825
  545    HG3  GLN  75           3HG      GLN  75   7.079   4.394   5.370
  546   HE21  GLN  75          1HE2      GLN  75   7.897   5.146   3.425
  547   HE22  GLN  75          2HE2      GLN  75   9.589   5.417   3.186
  548    H    LYS  76           H        LYS  76   3.744   7.444   6.497
  549    HA   LYS  76           HA       LYS  76   4.302   9.581   8.428
  550    HB2  LYS  76           2HB      LYS  76   2.263   9.435   6.193
  551    HB3  LYS  76           3HB      LYS  76   2.529  10.826   7.234
  552    HG2  LYS  76           2HG      LYS  76   4.774  11.088   6.358
  553    HG3  LYS  76           3HG      LYS  76   4.568   9.649   5.356
  554    HD2  LYS  76           2HD      LYS  76   2.919  12.171   5.155
  555    HD3  LYS  76           3HD      LYS  76   4.249  11.730   4.081
  556    HE2  LYS  76           2HE      LYS  76   3.021   9.710   3.411
  557    HE3  LYS  76           3HE      LYS  76   1.686  10.180   4.463
  558    HZ1  LYS  76           3HZ      LYS  76   1.310  10.774   2.127
  559    HZ2  LYS  76           1HZ      LYS  76   2.678  11.773   2.155
  560    HZ3  LYS  76           2HZ      LYS  76   1.337  12.143   3.126
  561    H    SER  77           H        SER  77   1.660   7.494   7.332
  562    HA   SER  77           HA       SER  77   0.738   7.158  10.058
  563    HB2  SER  77           2HB      SER  77  -1.646   7.731   9.288
  564    HB3  SER  77           3HB      SER  77  -0.551   9.087   9.558
  565    HG   SER  77           HG       SER  77  -1.017   7.888   7.022
  566    H    GLY  78           H        GLY  78   0.567   5.007  10.223
  567    HA2  GLY  78           2HA      GLY  78   0.455   3.319   7.920
  568    HA3  GLY  78           3HA      GLY  78   0.389   2.796   9.597
  569    H    THR  79           H        THR  79  -1.487   3.891   6.854
  570    HA   THR  79           HA       THR  79  -3.840   2.522   7.887
  571    HB   THR  79           HB       THR  79  -5.183   4.633   7.118
  572    HG1  THR  79           HG1      THR  79  -2.560   5.605   7.525
  573   HG21  THR  79          3HG2      THR  79  -3.702   4.590   9.751
  574   HG22  THR  79          1HG2      THR  79  -5.224   3.770   9.399
  575   HG23  THR  79          2HG2      THR  79  -5.153   5.532   9.400
  576    H    CYS  80           H        CYS  80  -5.456   2.127   6.217
  577    HA   CYS  80           HA       CYS  80  -4.551   2.273   3.472
  578    HB2  CYS  80           2HB      CYS  80  -7.288   1.672   4.627
  579    HB3  CYS  80           3HB      CYS  80  -6.899   1.596   2.924
  580    HA   PRO  81           HA       PRO  81  -5.751   6.609   3.193
  581    HB2  PRO  81           2HB      PRO  81  -5.612   6.724   0.431
  582    HB3  PRO  81           3HB      PRO  81  -4.254   6.983   1.529
  583    HG2  PRO  81           2HG      PRO  81  -5.021   4.531   0.004
  584    HG3  PRO  81           3HG      PRO  81  -3.408   5.196   0.326
  585    HD2  PRO  81           2HD      PRO  81  -4.361   3.086   1.688
  586    HD3  PRO  81           3HD      PRO  81  -3.334   4.308   2.465
  587    H    VAL  82           H        VAL  82  -7.360   3.911   1.825
  588    HA   VAL  82           HA       VAL  82  -9.602   5.468   0.825
  589    HB   VAL  82           HB       VAL  82  -9.124   2.483   0.844
  590   HG11  VAL  82          1HG1      VAL  82 -11.018   2.326  -0.688
  591   HG12  VAL  82          2HG1      VAL  82 -11.308   4.058  -0.515
  592   HG13  VAL  82          3HG1      VAL  82 -11.513   2.987   0.872
  593   HG21  VAL  82          3HG2      VAL  82  -7.594   3.698  -0.613
  594   HG22  VAL  82          1HG2      VAL  82  -8.957   4.497  -1.395
  595   HG23  VAL  82          2HG2      VAL  82  -8.745   2.754  -1.557
  596    H    CYS  83           H        CYS  83  -8.931   3.146   3.451
  597    HA   CYS  83           HA       CYS  83 -11.722   3.445   4.329
  598    HB2  CYS  83           2HB      CYS  83 -11.523   1.329   5.441
  599    HB3  CYS  83           3HB      CYS  83 -10.876   1.136   3.815
  600    H    ARG  84           H        ARG  84  -8.530   4.272   5.130
  601    HA   ARG  84           HA       ARG  84  -7.522   5.278   6.857
  602    HB2  ARG  84           2HB      ARG  84 -10.363   5.881   7.681
  603    HB3  ARG  84           3HB      ARG  84  -8.947   6.556   8.477
  604    HG2  ARG  84           2HG      ARG  84  -8.270   7.620   6.389
  605    HG3  ARG  84           3HG      ARG  84  -9.680   6.934   5.580
  606    HD2  ARG  84           2HD      ARG  84 -10.165   9.210   6.160
  607    HD3  ARG  84           3HD      ARG  84 -11.129   8.147   7.182
  608    HE   ARG  84           HE       ARG  84  -8.606   9.241   8.211
  609   HH11  ARG  84          1HH1      ARG  84 -12.105   9.056   8.336
  610   HH12  ARG  84          2HH1      ARG  84 -12.219   9.882   9.863
  611   HH21  ARG  84          1HH2      ARG  84  -8.753  10.331  10.206
  612   HH22  ARG  84          2HH2      ARG  84 -10.312  10.588  10.940
  613    H    CYS  85           H        CYS  85  -8.442   2.401   7.053
  614    HA   CYS  85           HA       CYS  85  -8.434   2.022   9.937
  615    HB2  CYS  85           2HB      CYS  85  -9.770   0.538   8.412
  616    HB3  CYS  85           3HB      CYS  85  -8.255  -0.080   7.767
  617    HG   CYS  85           HG       CYS  85  -9.943  -1.167  10.294
  618    H    MET  86           H        MET  86  -6.758   0.609  10.913
  619    HA   MET  86           HA       MET  86  -4.254   1.906  10.279
  620    HB2  MET  86           2HB      MET  86  -5.207   1.717  12.597
  621    HB3  MET  86           3HB      MET  86  -4.867  -0.006  12.535
  622    HG2  MET  86           2HG      MET  86  -2.447   0.667  12.075
  623    HG3  MET  86           3HG      MET  86  -2.933   2.282  12.590
  624    HE1  MET  86           3HE      MET  86  -5.260   1.049  14.694
  625    HE2  MET  86           1HE      MET  86  -4.366   2.542  14.985
  626    HE3  MET  86           2HE      MET  86  -4.384   1.271  16.209
  627    H    PHE  87           H        PHE  87  -2.328   0.960   9.829
  628    HA   PHE  87           HA       PHE  87  -2.127  -1.962   9.769
  629    HB2  PHE  87           2HB      PHE  87  -2.345  -1.415   7.435
  630    HB3  PHE  87           3HB      PHE  87  -1.217  -0.069   7.586
  631    HD1  PHE  87           HD1      PHE  87  -1.420  -3.768   7.929
  632    HD2  PHE  87           HD2      PHE  87   1.022  -0.383   7.102
  633    HE1  PHE  87           HE1      PHE  87   0.443  -5.259   7.334
  634    HE2  PHE  87           HE2      PHE  87   2.889  -1.869   6.504
  635    HZ   PHE  87           HZ       PHE  87   2.601  -4.311   6.621
  636    HA   PRO  88           HA       PRO  88  -0.698  -3.574  10.357
  637    HB2  PRO  88           2HB      PRO  88  -0.317  -4.276  12.975
  638    HB3  PRO  88           3HB      PRO  88   0.931  -4.408  11.732
  639    HG2  PRO  88           2HG      PRO  88   0.506  -2.254  13.766
  640    HG3  PRO  88           3HG      PRO  88   2.017  -3.026  13.251
  641    HD2  PRO  88           2HD      PRO  88   1.293  -0.606  12.342
  642    HD3  PRO  88           3HD      PRO  88   2.139  -1.773  11.305
  643    HA   PRO  89           HA       PRO  89  -4.861  -2.961  11.457
  644    HB2  PRO  89           2HB      PRO  89  -5.483  -5.489  12.470
  645    HB3  PRO  89           3HB      PRO  89  -5.522  -5.023  10.767
  646    HG2  PRO  89           2HG      PRO  89  -3.391  -6.447  12.296
  647    HG3  PRO  89           3HG      PRO  89  -3.947  -6.707  10.632
  648    HD2  PRO  89           2HD      PRO  89  -1.661  -5.423  11.130
  649    HD3  PRO  89           3HD      PRO  89  -2.732  -4.903   9.811
  650    HA   PRO  90           HA       PRO  90  -4.893  -1.770  15.664
  651    HB2  PRO  90           2HB      PRO  90  -7.563  -1.304  15.942
  652    HB3  PRO  90           3HB      PRO  90  -6.469  -0.214  15.084
  653    HG2  PRO  90           2HG      PRO  90  -8.342  -2.268  13.990
  654    HG3  PRO  90           3HG      PRO  90  -7.991  -0.639  13.390
  655    HD2  PRO  90           2HD      PRO  90  -6.929  -2.876  12.291
  656    HD3  PRO  90           3HD      PRO  90  -6.082  -1.316  12.304
  657    H    LEU  91           H        LEU  91  -5.311  -2.569  17.677
  658    HA   LEU  91           HA       LEU  91  -5.956  -5.338  17.866
  659    HB2  LEU  91           2HB      LEU  91  -5.507  -3.279  20.028
  660    HB3  LEU  91           3HB      LEU  91  -5.603  -5.011  20.288
  661    HG   LEU  91           HG       LEU  91  -3.483  -3.601  18.664
  662   HD11  LEU  91          1HD1      LEU  91  -3.354  -4.880  21.390
  663   HD12  LEU  91          2HD1      LEU  91  -3.247  -3.156  21.039
  664   HD13  LEU  91          3HD1      LEU  91  -1.979  -4.248  20.485
  665   HD21  LEU  91          3HD2      LEU  91  -3.964  -5.840  17.819
  666   HD22  LEU  91          1HD2      LEU  91  -3.754  -6.505  19.439
  667   HD23  LEU  91          2HD2      LEU  91  -2.382  -5.781  18.598
  Start of MODEL    8
    1    H1   MET   1           1H       MET   1 -11.830  29.199  -7.623
    2    H2   MET   1           2H       MET   1 -10.951  28.295  -6.491
    3    H3   MET   1           3H       MET   1 -11.469  27.571  -7.933
    4    HA   MET   1           HA       MET   1  -9.094  28.120  -7.925
    5    HB2  MET   1           2HB      MET   1  -9.064  29.212 -10.121
    6    HB3  MET   1           3HB      MET   1 -10.299  27.964 -10.050
    7    HG2  MET   1           2HG      MET   1 -12.009  29.672  -9.724
    8    HG3  MET   1           3HG      MET   1 -10.770  30.925  -9.789
    9    HE1  MET   1           3HE      MET   1 -12.182  32.153 -11.689
   10    HE2  MET   1           1HE      MET   1 -13.394  30.874 -11.644
   11    HE3  MET   1           2HE      MET   1 -12.696  31.369 -13.183
   12    H    GLY   2           H        GLY   2  -7.467  29.681  -7.848
   13    HA2  GLY   2           2HA      GLY   2  -6.748  31.978  -7.707
   14    HA3  GLY   2           3HA      GLY   2  -8.317  32.386  -7.024
   15    H    HIS   3           H        HIS   3  -8.800  31.419  -4.863
   16    HA   HIS   3           HA       HIS   3  -6.333  31.462  -3.262
   17    HB2  HIS   3           2HB      HIS   3  -7.798  32.211  -1.359
   18    HB3  HIS   3           3HB      HIS   3  -7.659  33.362  -2.678
   19    HD1  HIS   3           HD1      HIS   3 -10.109  31.254  -0.843
   20    HD2  HIS   3           HD2      HIS   3 -10.032  33.768  -4.155
   21    HE1  HIS   3           HE1      HIS   3 -12.517  31.759  -1.365
   22    HE2  HIS   3           HE2      HIS   3 -12.454  33.190  -3.442
   23    H    HIS   4           H        HIS   4  -7.345  30.521  -0.857
   24    HA   HIS   4           HA       HIS   4  -7.450  27.684  -1.557
   25    HB2  HIS   4           2HB      HIS   4  -6.784  29.128   1.011
   26    HB3  HIS   4           3HB      HIS   4  -6.942  27.381   0.912
   27    HD1  HIS   4           HD1      HIS   4  -4.605  26.569   1.167
   28    HD2  HIS   4           HD2      HIS   4  -4.890  29.719  -1.537
   29    HE1  HIS   4           HE1      HIS   4  -2.313  26.803   0.151
   30    HE2  HIS   4           HE2      HIS   4  -2.460  28.850  -1.319
   31    H    HIS   5           H        HIS   5  -8.673  26.273   0.001
   32    HA   HIS   5           HA       HIS   5 -11.325  27.436   0.593
   33    HB2  HIS   5           2HB      HIS   5 -11.264  25.717  -1.245
   34    HB3  HIS   5           3HB      HIS   5 -10.651  24.553  -0.081
   35    HD1  HIS   5           HD1      HIS   5 -13.758  26.220  -1.243
   36    HD2  HIS   5           HD2      HIS   5 -12.583  23.620   1.790
   37    HE1  HIS   5           HE1      HIS   5 -15.886  25.256  -0.309
   38    HE2  HIS   5           HE2      HIS   5 -15.163  23.782   1.600
   39    H    HIS   6           H        HIS   6 -12.258  26.878   2.623
   40    HA   HIS   6           HA       HIS   6 -10.370  26.426   4.695
   41    HB2  HIS   6           2HB      HIS   6 -12.358  27.780   5.096
   42    HB3  HIS   6           3HB      HIS   6 -13.393  26.390   4.796
   43    HD1  HIS   6           HD1      HIS   6 -10.860  27.659   7.319
   44    HD2  HIS   6           HD2      HIS   6 -13.854  24.787   6.985
   45    HE1  HIS   6           HE1      HIS   6 -11.145  26.701   9.623
   46    HE2  HIS   6           HE2      HIS   6 -13.055  25.066   9.430
   47    H    HIS   7           H        HIS   7  -9.382  24.540   4.810
   48    HA   HIS   7           HA       HIS   7 -10.694  22.050   4.223
   49    HB2  HIS   7           2HB      HIS   7  -8.540  21.006   4.798
   50    HB3  HIS   7           3HB      HIS   7  -8.327  22.333   3.667
   51    HD1  HIS   7           HD1      HIS   7  -7.085  21.025   6.799
   52    HD2  HIS   7           HD2      HIS   7  -7.325  24.769   5.012
   53    HE1  HIS   7           HE1      HIS   7  -5.455  22.479   8.048
   54    HE2  HIS   7           HE2      HIS   7  -5.578  24.733   6.919
   55    H    HIS   8           H        HIS   8 -10.900  20.271   5.726
   56    HA   HIS   8           HA       HIS   8 -12.036  21.212   8.205
   57    HB2  HIS   8           2HB      HIS   8 -13.166  19.474   6.877
   58    HB3  HIS   8           3HB      HIS   8 -11.790  18.401   7.104
   59    HD1  HIS   8           HD1      HIS   8 -14.706  19.896   8.942
   60    HD2  HIS   8           HD2      HIS   8 -11.697  17.087   9.558
   61    HE1  HIS   8           HE1      HIS   8 -15.292  18.724  11.095
   62    HE2  HIS   8           HE2      HIS   8 -13.395  17.121  11.513
   63    H    SER   9           H        SER   9 -10.840  21.547   9.935
   64    HA   SER   9           HA       SER   9  -8.290  20.417  10.392
   65    HB2  SER   9           2HB      SER   9 -10.137  21.562  12.495
   66    HB3  SER   9           3HB      SER   9  -8.374  21.549  12.494
   67    HG   SER   9           HG       SER   9  -8.454  22.980  10.686
   68    H    HIS  10           H        HIS  10  -8.026  18.269  10.703
   69    HA   HIS  10           HA       HIS  10 -10.050  16.843  12.272
   70    HB2  HIS  10           2HB      HIS  10  -9.018  14.753  11.434
   71    HB3  HIS  10           3HB      HIS  10  -9.603  15.786  10.140
   72    HD1  HIS  10           HD1      HIS  10  -6.534  14.188  11.477
   73    HD2  HIS  10           HD2      HIS  10  -7.566  16.956   8.546
   74    HE1  HIS  10           HE1      HIS  10  -4.502  14.422  10.017
   75    HE2  HIS  10           HE2      HIS  10  -5.077  16.271   8.402
   76    H    MET  11           H        MET  11  -6.693  17.743  12.221
   77    HA   MET  11           HA       MET  11  -5.149  17.927  13.862
   78    HB2  MET  11           2HB      MET  11  -6.987  18.738  15.274
   79    HB3  MET  11           3HB      MET  11  -7.377  17.084  15.722
   80    HG2  MET  11           2HG      MET  11  -5.238  16.853  16.834
   81    HG3  MET  11           3HG      MET  11  -4.775  18.476  16.326
   82    HE1  MET  11           3HE      MET  11  -8.297  17.219  17.603
   83    HE2  MET  11           1HE      MET  11  -8.165  17.564  19.327
   84    HE3  MET  11           2HE      MET  11  -7.140  16.330  18.595
   85    H    VAL  12           H        VAL  12  -7.126  15.101  14.774
   86    HA   VAL  12           HA       VAL  12  -4.853  13.629  15.653
   87    HB   VAL  12           HB       VAL  12  -7.056  13.261  16.644
   88   HG11  VAL  12          1HG1      VAL  12  -8.801  12.037  15.426
   89   HG12  VAL  12          2HG1      VAL  12  -7.831  12.137  13.955
   90   HG13  VAL  12          3HG1      VAL  12  -8.458  13.608  14.700
   91   HG21  VAL  12          3HG2      VAL  12  -7.062  10.812  16.636
   92   HG22  VAL  12          1HG2      VAL  12  -5.426  11.458  16.762
   93   HG23  VAL  12          2HG2      VAL  12  -6.004  10.816  15.225
   94    H    ALA  13           H        ALA  13  -3.643  12.166  14.642
   95    HA   ALA  13           HA       ALA  13  -4.544  11.067  12.070
   96    HB1  ALA  13           3HB      ALA  13  -2.944  12.852  11.565
   97    HB2  ALA  13           1HB      ALA  13  -2.279  11.270  11.161
   98    HB3  ALA  13           2HB      ALA  13  -1.759  12.097  12.631
   99    H    ASN  14           H        ASN  14  -3.790   8.945  11.674
  100    HA   ASN  14           HA       ASN  14  -3.356   7.413  14.050
  101    HB2  ASN  14           2HB      ASN  14  -4.702   6.601  12.106
  102    HB3  ASN  14           3HB      ASN  14  -3.214   6.491  11.171
  103   HD21  ASN  14          1HD2      ASN  14  -1.723   4.861  11.658
  104   HD22  ASN  14          2HD2      ASN  14  -2.146   3.502  12.631
  105    HA   PRO  15           HA       PRO  15   1.045   7.622  14.415
  106    HB2  PRO  15           2HB      PRO  15   1.329   4.933  15.214
  107    HB3  PRO  15           3HB      PRO  15   1.152   6.337  16.266
  108    HG2  PRO  15           2HG      PRO  15  -0.899   4.389  15.346
  109    HG3  PRO  15           3HG      PRO  15  -0.775   5.248  16.892
  110    HD2  PRO  15           2HD      PRO  15  -2.567   5.977  15.050
  111    HD3  PRO  15           3HD      PRO  15  -1.710   7.193  16.022
  112    HA   PRO  16           HA       PRO  16   2.667   5.921  10.641
  113    HB2  PRO  16           2HB      PRO  16   5.282   5.948  12.010
  114    HB3  PRO  16           3HB      PRO  16   4.769   6.803  10.552
  115    HG2  PRO  16           2HG      PRO  16   5.162   8.098  12.865
  116    HG3  PRO  16           3HG      PRO  16   3.873   8.569  11.742
  117    HD2  PRO  16           2HD      PRO  16   3.691   6.988  14.279
  118    HD3  PRO  16           3HD      PRO  16   2.605   8.247  13.655
  119    H    ALA  17           H        ALA  17   3.545   3.983   9.831
  120    HA   ALA  17           HA       ALA  17   3.219   1.740  11.635
  121    HB1  ALA  17           3HB      ALA  17   2.211   1.669   9.411
  122    HB2  ALA  17           1HB      ALA  17   3.378   0.365   9.626
  123    HB3  ALA  17           2HB      ALA  17   3.811   1.790   8.679
  124    H    SER  18           H        SER  18   4.802  -0.093  11.485
  125    HA   SER  18           HA       SER  18   7.471   0.933  11.926
  126    HB2  SER  18           2HB      SER  18   7.832  -1.579  12.522
  127    HB3  SER  18           3HB      SER  18   6.857  -0.576  13.598
  128    HG   SER  18           HG       SER  18   6.143  -2.806  12.391
  129    H    LYS  19           H        LYS  19   9.313   0.244  10.831
  130    HA   LYS  19           HA       LYS  19   8.986   0.113   8.034
  131    HB2  LYS  19           2HB      LYS  19  10.924   1.153   9.123
  132    HB3  LYS  19           3HB      LYS  19  11.442  -0.416   9.719
  133    HG2  LYS  19           2HG      LYS  19  11.754  -1.167   7.398
  134    HG3  LYS  19           3HG      LYS  19  11.298   0.442   6.836
  135    HD2  LYS  19           2HD      LYS  19  13.628  -0.173   8.656
  136    HD3  LYS  19           3HD      LYS  19  13.746   0.125   6.923
  137    HE2  LYS  19           2HE      LYS  19  12.942   2.374   7.197
  138    HE3  LYS  19           3HE      LYS  19  12.613   2.090   8.905
  139    HZ1  LYS  19           3HZ      LYS  19  14.942   1.864   9.331
  140    HZ2  LYS  19           1HZ      LYS  19  14.696   3.319   8.493
  141    HZ3  LYS  19           2HZ      LYS  19  15.318   1.964   7.681
  142    H    GLU  20           H        GLU  20   9.643  -2.335  10.458
  143    HA   GLU  20           HA       GLU  20  10.413  -4.411   8.716
  144    HB2  GLU  20           2HB      GLU  20   9.124  -4.579  11.445
  145    HB3  GLU  20           3HB      GLU  20   9.918  -5.910  10.612
  146    HG2  GLU  20           2HG      GLU  20  11.233  -3.353  11.500
  147    HG3  GLU  20           3HG      GLU  20  11.359  -4.916  12.306
  148    H    SER  21           H        SER  21   7.298  -3.169   9.649
  149    HA   SER  21           HA       SER  21   5.864  -5.457   8.622
  150    HB2  SER  21           2HB      SER  21   5.041  -4.036  10.542
  151    HB3  SER  21           3HB      SER  21   4.742  -2.748   9.376
  152    HG   SER  21           HG       SER  21   3.431  -4.416   8.245
  153    H    ILE  22           H        ILE  22   7.046  -2.428   7.464
  154    HA   ILE  22           HA       ILE  22   5.328  -2.304   5.152
  155    HB   ILE  22           HB       ILE  22   7.904  -0.805   5.682
  156   HG12  ILE  22          2HG1      ILE  22   5.049   0.073   6.189
  157   HG13  ILE  22          3HG1      ILE  22   6.174  -0.446   7.439
  158   HG21  ILE  22          1HG2      ILE  22   7.039   0.801   4.043
  159   HG22  ILE  22          2HG2      ILE  22   5.640  -0.239   3.768
  160   HG23  ILE  22          3HG2      ILE  22   7.257  -0.799   3.336
  161   HD11  ILE  22          3HD1      ILE  22   6.009   1.974   7.330
  162   HD12  ILE  22          1HD1      ILE  22   6.518   1.944   5.642
  163   HD13  ILE  22          2HD1      ILE  22   7.633   1.433   6.911
  164    H    ASP  23           H        ASP  23   8.598  -3.358   5.901
  165    HA   ASP  23           HA       ASP  23   9.392  -3.813   3.206
  166    HB2  ASP  23           2HB      ASP  23  10.943  -3.453   5.149
  167    HB3  ASP  23           3HB      ASP  23  10.536  -5.073   5.704
  168    H    ALA  24           H        ALA  24   7.652  -5.671   5.563
  169    HA   ALA  24           HA       ALA  24   8.105  -8.215   4.289
  170    HB1  ALA  24           3HB      ALA  24   6.603  -9.105   5.981
  171    HB2  ALA  24           1HB      ALA  24   6.165  -7.468   6.469
  172    HB3  ALA  24           2HB      ALA  24   7.813  -8.048   6.712
  173    H    LEU  25           H        LEU  25   6.185  -5.631   3.509
  174    HA   LEU  25           HA       LEU  25   3.743  -6.844   2.809
  175    HB2  LEU  25           2HB      LEU  25   5.145  -4.383   1.793
  176    HB3  LEU  25           3HB      LEU  25   3.580  -4.883   1.186
  177    HG   LEU  25           HG       LEU  25   4.188  -4.191   4.057
  178   HD11  LEU  25          1HD1      LEU  25   2.686  -2.663   1.940
  179   HD12  LEU  25          2HD1      LEU  25   4.265  -2.241   2.600
  180   HD13  LEU  25          3HD1      LEU  25   2.838  -2.200   3.634
  181   HD21  LEU  25          3HD2      LEU  25   1.589  -4.844   2.678
  182   HD22  LEU  25          1HD2      LEU  25   1.761  -4.309   4.351
  183   HD23  LEU  25          2HD2      LEU  25   2.428  -5.862   3.846
  184    HA   PRO  26           HA       PRO  26   5.001  -9.375  -0.602
  185    HB2  PRO  26           2HB      PRO  26   2.526  -9.681  -1.741
  186    HB3  PRO  26           3HB      PRO  26   3.085 -10.595  -0.336
  187    HG2  PRO  26           2HG      PRO  26   1.336  -8.173  -0.450
  188    HG3  PRO  26           3HG      PRO  26   1.184  -9.617   0.566
  189    HD2  PRO  26           2HD      PRO  26   2.181  -7.306   1.519
  190    HD3  PRO  26           3HD      PRO  26   2.783  -8.885   2.068
  191    H    GLU  27           H        GLU  27   5.606  -9.057  -2.693
  192    HA   GLU  27           HA       GLU  27   4.825  -6.486  -3.878
  193    HB2  GLU  27           2HB      GLU  27   7.279  -8.193  -4.306
  194    HB3  GLU  27           3HB      GLU  27   6.905  -6.758  -5.255
  195    HG2  GLU  27           2HG      GLU  27   6.916  -5.425  -3.187
  196    HG3  GLU  27           3HG      GLU  27   7.376  -6.866  -2.285
  197    H    ILE  28           H        ILE  28   3.479  -6.513  -5.483
  198    HA   ILE  28           HA       ILE  28   3.210  -8.961  -7.103
  199    HB   ILE  28           HB       ILE  28   1.159  -6.796  -6.589
  200   HG12  ILE  28          2HG1      ILE  28   1.268  -9.630  -5.529
  201   HG13  ILE  28          3HG1      ILE  28   1.651  -8.188  -4.594
  202   HG21  ILE  28          1HG2      ILE  28   0.852  -7.812  -8.760
  203   HG22  ILE  28          2HG2      ILE  28  -0.418  -8.356  -7.661
  204   HG23  ILE  28          3HG2      ILE  28   0.933  -9.424  -8.048
  205   HD11  ILE  28          3HD1      ILE  28  -0.640  -7.407  -4.855
  206   HD12  ILE  28          1HD1      ILE  28  -0.584  -9.007  -4.111
  207   HD13  ILE  28          2HD1      ILE  28  -1.022  -8.839  -5.812
  208    H    LEU  29           H        LEU  29   3.943  -8.783  -9.126
  209    HA   LEU  29           HA       LEU  29   4.659  -6.241 -10.253
  210    HB2  LEU  29           2HB      LEU  29   5.926  -8.312 -10.700
  211    HB3  LEU  29           3HB      LEU  29   4.534  -8.974 -11.535
  212    HG   LEU  29           HG       LEU  29   4.715  -7.178 -13.226
  213   HD11  LEU  29          1HD1      LEU  29   6.726  -5.791 -13.290
  214   HD12  LEU  29          2HD1      LEU  29   7.237  -6.456 -11.739
  215   HD13  LEU  29          3HD1      LEU  29   5.773  -5.476 -11.839
  216   HD21  LEU  29          3HD2      LEU  29   7.231  -8.785 -12.799
  217   HD22  LEU  29          1HD2      LEU  29   6.740  -8.028 -14.313
  218   HD23  LEU  29          2HD2      LEU  29   5.773  -9.334 -13.624
  219    H    VAL  30           H        VAL  30   3.387  -4.915 -11.370
  220    HA   VAL  30           HA       VAL  30   0.689  -5.825 -11.992
  221    HB   VAL  30           HB       VAL  30   1.816  -3.025 -12.150
  222   HG11  VAL  30          1HG1      VAL  30  -1.040  -4.002 -12.122
  223   HG12  VAL  30          2HG1      VAL  30  -0.174  -3.392 -13.532
  224   HG13  VAL  30          3HG1      VAL  30  -0.512  -2.319 -12.175
  225   HG21  VAL  30          3HG2      VAL  30   1.940  -3.846  -9.876
  226   HG22  VAL  30          1HG2      VAL  30   0.258  -4.368  -9.946
  227   HG23  VAL  30          2HG2      VAL  30   0.652  -2.651 -10.016
  228    H    THR  31           H        THR  31   0.033  -6.302 -13.959
  229    HA   THR  31           HA       THR  31   1.432  -5.154 -16.277
  230    HB   THR  31           HB       THR  31   0.879  -7.289 -17.495
  231    HG1  THR  31           HG1      THR  31   0.426  -9.117 -16.162
  232   HG21  THR  31          3HG2      THR  31   2.728  -7.538 -15.118
  233   HG22  THR  31          1HG2      THR  31   3.149  -6.878 -16.698
  234   HG23  THR  31          2HG2      THR  31   2.739  -8.586 -16.536
  235    H    GLU  32           H        GLU  32  -0.042  -5.485 -18.310
  236    HA   GLU  32           HA       GLU  32  -2.513  -4.141 -17.712
  237    HB2  GLU  32           2HB      GLU  32  -1.421  -5.159 -20.341
  238    HB3  GLU  32           3HB      GLU  32  -2.822  -4.114 -20.157
  239    HG2  GLU  32           2HG      GLU  32  -1.441  -2.355 -19.255
  240    HG3  GLU  32           3HG      GLU  32  -0.026  -3.406 -19.306
  241    H    ASP  33           H        ASP  33  -1.580  -7.353 -17.861
  242    HA   ASP  33           HA       ASP  33  -4.103  -8.401 -18.825
  243    HB2  ASP  33           2HB      ASP  33  -1.760  -9.836 -17.546
  244    HB3  ASP  33           3HB      ASP  33  -3.141 -10.610 -18.312
  245    H    HIS  34           H        HIS  34  -2.953  -7.141 -15.951
  246    HA   HIS  34           HA       HIS  34  -5.210  -8.225 -14.485
  247    HB2  HIS  34           2HB      HIS  34  -3.238  -9.785 -14.130
  248    HB3  HIS  34           3HB      HIS  34  -2.434  -8.453 -13.311
  249    HD1  HIS  34           HD1      HIS  34  -2.727  -8.470 -10.858
  250    HD2  HIS  34           HD2      HIS  34  -5.879 -10.359 -12.794
  251    HE1  HIS  34           HE1      HIS  34  -4.198  -9.369  -9.032
  252    HE2  HIS  34           HE2      HIS  34  -5.987 -10.676 -10.228
  253    H    GLY  35           H        GLY  35  -5.376  -5.800 -15.206
  254    HA2  GLY  35           2HA      GLY  35  -4.029  -3.845 -13.633
  255    HA3  GLY  35           3HA      GLY  35  -5.520  -3.601 -14.535
  256    H    ALA  36           H        ALA  36  -7.192  -5.406 -13.336
  257    HA   ALA  36           HA       ALA  36  -7.707  -4.198 -10.781
  258    HB1  ALA  36           3HB      ALA  36  -9.082  -6.506 -12.161
  259    HB2  ALA  36           1HB      ALA  36  -9.567  -4.812 -12.237
  260    HB3  ALA  36           2HB      ALA  36  -9.658  -5.689 -10.708
  261    H    VAL  37           H        VAL  37  -6.186  -4.716  -9.304
  262    HA   VAL  37           HA       VAL  37  -5.177  -7.415  -9.070
  263    HB   VAL  37           HB       VAL  37  -4.662  -5.120  -7.172
  264   HG11  VAL  37          1HG1      VAL  37  -2.558  -6.313  -6.743
  265   HG12  VAL  37          2HG1      VAL  37  -3.069  -7.592  -7.844
  266   HG13  VAL  37          3HG1      VAL  37  -3.968  -7.300  -6.355
  267   HG21  VAL  37          3HG2      VAL  37  -4.162  -4.380  -9.442
  268   HG22  VAL  37          1HG2      VAL  37  -3.168  -5.815  -9.701
  269   HG23  VAL  37          2HG2      VAL  37  -2.677  -4.605  -8.515
  270    H    GLY  38           H        GLY  38  -7.678  -5.515  -7.724
  271    HA2  GLY  38           2HA      GLY  38  -8.667  -7.778  -6.245
  272    HA3  GLY  38           3HA      GLY  38  -8.170  -6.430  -5.227
  273    H    GLN  39           H        GLN  39 -10.134  -5.760  -4.508
  274    HA   GLN  39           HA       GLN  39 -12.400  -5.449  -6.200
  275    HB2  GLN  39           2HB      GLN  39 -13.470  -4.369  -4.323
  276    HB3  GLN  39           3HB      GLN  39 -12.569  -5.758  -3.737
  277    HG2  GLN  39           2HG      GLN  39 -11.530  -2.938  -3.620
  278    HG3  GLN  39           3HG      GLN  39 -12.434  -3.703  -2.317
  279   HE21  GLN  39          1HE2      GLN  39 -11.466  -5.317  -1.105
  280   HE22  GLN  39          2HE2      GLN  39  -9.760  -5.594  -1.137
  281    H    GLU  40           H        GLU  40  -9.678  -3.489  -5.389
  282    HA   GLU  40           HA       GLU  40 -10.848  -1.233  -6.868
  283    HB2  GLU  40           2HB      GLU  40  -9.202   0.181  -5.701
  284    HB3  GLU  40           3HB      GLU  40 -10.268  -0.652  -4.580
  285    HG2  GLU  40           2HG      GLU  40  -8.415  -2.388  -4.372
  286    HG3  GLU  40           3HG      GLU  40  -7.383  -1.206  -5.175
  287    H    MET  41           H        MET  41  -9.283   0.024  -8.196
  288    HA   MET  41           HA       MET  41  -7.099  -1.606  -9.262
  289    HB2  MET  41           2HB      MET  41  -7.857  -1.285 -11.579
  290    HB3  MET  41           3HB      MET  41  -9.007  -2.221 -10.637
  291    HG2  MET  41           2HG      MET  41  -9.330   0.731 -11.071
  292    HG3  MET  41           3HG      MET  41  -9.933  -0.465 -12.218
  293    HE1  MET  41           3HE      MET  41 -12.548  -2.423 -10.070
  294    HE2  MET  41           1HE      MET  41 -10.856  -2.827 -10.360
  295    HE3  MET  41           2HE      MET  41 -11.853  -2.211 -11.678
  296    H    CYS  42           H        CYS  42  -7.755   1.132  -7.892
  297    HA   CYS  42           HA       CYS  42  -5.829   2.614  -9.544
  298    HB2  CYS  42           2HB      CYS  42  -8.317   3.755  -8.251
  299    HB3  CYS  42           3HB      CYS  42  -7.045   4.716  -8.997
  300    HG   CYS  42           HG       CYS  42  -7.923   4.586 -11.403
  301    H    CYS  43           H        CYS  43  -4.273   3.719  -8.445
  302    HA   CYS  43           HA       CYS  43  -4.187   3.304  -5.532
  303    HB2  CYS  43           2HB      CYS  43  -2.314   2.322  -6.728
  304    HB3  CYS  43           3HB      CYS  43  -1.996   3.839  -7.556
  305    HA   PRO  44           HA       PRO  44  -5.362   7.671  -5.720
  306    HB2  PRO  44           2HB      PRO  44  -5.809   7.901  -3.028
  307    HB3  PRO  44           3HB      PRO  44  -6.992   7.265  -4.175
  308    HG2  PRO  44           2HG      PRO  44  -5.122   5.784  -2.364
  309    HG3  PRO  44           3HG      PRO  44  -6.829   5.455  -2.727
  310    HD2  PRO  44           2HD      PRO  44  -4.846   4.055  -3.877
  311    HD3  PRO  44           3HD      PRO  44  -6.337   4.458  -4.753
  312    H    ILE  45           H        ILE  45  -2.908   6.182  -3.752
  313    HA   ILE  45           HA       ILE  45  -1.799   8.460  -2.555
  314    HB   ILE  45           HB       ILE  45  -0.233   6.020  -3.397
  315   HG12  ILE  45          2HG1      ILE  45  -1.878   6.424  -0.888
  316   HG13  ILE  45          3HG1      ILE  45  -2.316   5.368  -2.225
  317   HG21  ILE  45          1HG2      ILE  45   1.114   7.863  -2.565
  318   HG22  ILE  45          2HG2      ILE  45   1.103   6.538  -1.402
  319   HG23  ILE  45          3HG2      ILE  45   0.110   7.967  -1.118
  320   HD11  ILE  45          3HD1      ILE  45  -0.347   3.997  -1.791
  321   HD12  ILE  45          1HD1      ILE  45  -1.379   4.114  -0.367
  322   HD13  ILE  45          2HD1      ILE  45   0.105   5.061  -0.461
  323    H    CYS  46           H        CYS  46  -1.308   7.036  -5.735
  324    HA   CYS  46           HA       CYS  46   0.472   9.283  -6.409
  325    HB2  CYS  46           2HB      CYS  46   1.341   7.893  -8.243
  326    HB3  CYS  46           3HB      CYS  46   1.568   7.109  -6.684
  327    H    CYS  47           H        CYS  47  -2.571   8.731  -6.410
  328    HA   CYS  47           HA       CYS  47  -4.411   8.862  -7.739
  329    HB2  CYS  47           2HB      CYS  47  -4.512  11.058  -8.969
  330    HB3  CYS  47           3HB      CYS  47  -4.091  11.160  -7.268
  331    HG   CYS  47           HG       CYS  47  -2.253  11.924  -9.990
  332    H    SER  48           H        SER  48  -3.064   6.906  -8.837
  333    HA   SER  48           HA       SER  48  -3.683   7.203 -11.655
  334    HB2  SER  48           2HB      SER  48  -0.944   6.270 -10.748
  335    HB3  SER  48           3HB      SER  48  -1.527   6.303 -12.413
  336    HG   SER  48           HG       SER  48  -1.751   8.695 -11.068
  337    H    GLU  49           H        GLU  49  -4.077   5.204 -12.687
  338    HA   GLU  49           HA       GLU  49  -4.937   3.130 -10.895
  339    HB2  GLU  49           2HB      GLU  49  -5.803   2.019 -12.882
  340    HB3  GLU  49           3HB      GLU  49  -6.269   3.713 -12.873
  341    HG2  GLU  49           2HG      GLU  49  -4.509   4.212 -14.484
  342    HG3  GLU  49           3HG      GLU  49  -4.027   2.516 -14.485
  343    H    TYR  50           H        TYR  50  -4.486   0.794 -12.232
  344    HA   TYR  50           HA       TYR  50  -1.674   0.402 -11.633
  345    HB2  TYR  50           2HB      TYR  50  -4.014  -1.450 -11.968
  346    HB3  TYR  50           3HB      TYR  50  -2.365  -2.069 -11.955
  347    HD1  TYR  50           HD2      TYR  50  -4.818  -0.134  -9.961
  348    HD2  TYR  50           HD1      TYR  50  -1.207  -2.370  -9.938
  349    HE1  TYR  50           HE2      TYR  50  -4.799  -0.057  -7.506
  350    HE2  TYR  50           HE1      TYR  50  -1.174  -2.301  -7.481
  351    HH   TYR  50           HH       TYR  50  -3.846  -1.251  -5.626
  352    H    VAL  51           H        VAL  51  -0.259   0.625 -13.167
  353    HA   VAL  51           HA       VAL  51  -0.917  -0.266 -15.890
  354    HB   VAL  51           HB       VAL  51   0.785   1.310 -16.708
  355   HG11  VAL  51          1HG1      VAL  51  -0.446   3.383 -16.283
  356   HG12  VAL  51          2HG1      VAL  51  -1.295   2.601 -14.949
  357   HG13  VAL  51          3HG1      VAL  51  -1.536   2.032 -16.601
  358   HG21  VAL  51          3HG2      VAL  51   1.740   2.999 -15.215
  359   HG22  VAL  51          1HG2      VAL  51   2.230   1.371 -14.743
  360   HG23  VAL  51          2HG2      VAL  51   0.974   2.212 -13.836
  361    H    LYS  52           H        LYS  52   0.960  -1.050 -17.144
  362    HA   LYS  52           HA       LYS  52   2.252  -3.148 -15.756
  363    HB2  LYS  52           2HB      LYS  52   1.666  -3.259 -18.145
  364    HB3  LYS  52           3HB      LYS  52   2.852  -2.011 -18.494
  365    HG2  LYS  52           2HG      LYS  52   4.617  -3.535 -17.623
  366    HG3  LYS  52           3HG      LYS  52   3.388  -4.791 -17.472
  367    HD2  LYS  52           2HD      LYS  52   4.198  -3.395 -20.025
  368    HD3  LYS  52           3HD      LYS  52   4.644  -5.035 -19.549
  369    HE2  LYS  52           2HE      LYS  52   2.308  -5.704 -19.583
  370    HE3  LYS  52           3HE      LYS  52   1.826  -4.058 -19.997
  371    HZ1  LYS  52           3HZ      LYS  52   3.518  -5.843 -21.665
  372    HZ2  LYS  52           1HZ      LYS  52   3.057  -4.260 -22.063
  373    HZ3  LYS  52           2HZ      LYS  52   1.886  -5.478 -21.946
  374    H    GLY  53           H        GLY  53   4.099  -3.192 -14.664
  375    HA2  GLY  53           2HA      GLY  53   6.507  -2.741 -14.774
  376    HA3  GLY  53           3HA      GLY  53   6.103  -1.098 -15.248
  377    H    ASP  54           H        ASP  54   3.870  -1.162 -13.184
  378    HA   ASP  54           HA       ASP  54   5.511  -0.093 -11.051
  379    HB2  ASP  54           2HB      ASP  54   3.259   0.859 -11.979
  380    HB3  ASP  54           3HB      ASP  54   2.515  -0.330 -10.921
  381    H    VAL  55           H        VAL  55   5.102  -0.699  -8.777
  382    HA   VAL  55           HA       VAL  55   4.776  -3.627  -8.576
  383    HB   VAL  55           HB       VAL  55   6.304  -1.787  -6.720
  384   HG11  VAL  55          1HG1      VAL  55   7.180  -3.848  -5.733
  385   HG12  VAL  55          2HG1      VAL  55   6.150  -4.797  -6.806
  386   HG13  VAL  55          3HG1      VAL  55   5.425  -3.753  -5.584
  387   HG21  VAL  55          3HG2      VAL  55   7.392  -1.948  -8.895
  388   HG22  VAL  55          1HG2      VAL  55   7.333  -3.709  -8.807
  389   HG23  VAL  55          2HG2      VAL  55   8.324  -2.802  -7.664
  390    H    ALA  56           H        ALA  56   2.990  -4.303  -7.600
  391    HA   ALA  56           HA       ALA  56   1.509  -2.444  -5.882
  392    HB1  ALA  56           3HB      ALA  56  -0.384  -3.925  -6.190
  393    HB2  ALA  56           1HB      ALA  56   0.632  -5.076  -7.057
  394    HB3  ALA  56           2HB      ALA  56   0.304  -3.488  -7.754
  395    H    THR  57           H        THR  57   0.365  -3.452  -4.006
  396    HA   THR  57           HA       THR  57   1.608  -5.794  -2.845
  397    HB   THR  57           HB       THR  57   3.081  -3.895  -2.141
  398    HG1  THR  57           HG1      THR  57   2.928  -5.684  -0.779
  399   HG21  THR  57          3HG2      THR  57   0.616  -2.937  -0.677
  400   HG22  THR  57          1HG2      THR  57   1.392  -2.123  -2.036
  401   HG23  THR  57          2HG2      THR  57   2.243  -2.281  -0.500
  402    H    GLU  58           H        GLU  58   0.416  -6.548  -0.958
  403    HA   GLU  58           HA       GLU  58  -2.333  -5.498  -0.893
  404    HB2  GLU  58           2HB      GLU  58  -2.200  -7.753  -1.888
  405    HB3  GLU  58           3HB      GLU  58  -1.421  -8.344  -0.425
  406    HG2  GLU  58           2HG      GLU  58  -3.506  -7.548   0.808
  407    HG3  GLU  58           3HG      GLU  58  -4.247  -7.406  -0.784
  408    H    LEU  59           H        LEU  59  -2.765  -4.508   0.952
  409    HA   LEU  59           HA       LEU  59  -1.293  -5.003   3.373
  410    HB2  LEU  59           2HB      LEU  59  -3.884  -3.496   2.965
  411    HB3  LEU  59           3HB      LEU  59  -2.880  -3.440   4.398
  412    HG   LEU  59           HG       LEU  59  -2.077  -2.422   1.671
  413   HD11  LEU  59          1HD1      LEU  59  -3.825  -1.069   2.702
  414   HD12  LEU  59          2HD1      LEU  59  -2.285  -0.209   2.673
  415   HD13  LEU  59          3HD1      LEU  59  -2.860  -0.939   4.173
  416   HD21  LEU  59          3HD2      LEU  59  -0.170  -3.215   2.965
  417   HD22  LEU  59          1HD2      LEU  59  -0.687  -2.236   4.338
  418   HD23  LEU  59          2HD2      LEU  59  -0.164  -1.454   2.847
  419    HA   PRO  60           HA       PRO  60  -3.716  -8.393   5.002
  420    HB2  PRO  60           2HB      PRO  60  -3.765  -7.643   7.668
  421    HB3  PRO  60           3HB      PRO  60  -2.452  -8.528   6.887
  422    HG2  PRO  60           2HG      PRO  60  -2.678  -5.613   7.495
  423    HG3  PRO  60           3HG      PRO  60  -1.266  -6.680   7.607
  424    HD2  PRO  60           2HD      PRO  60  -1.575  -4.970   5.563
  425    HD3  PRO  60           3HD      PRO  60  -0.844  -6.573   5.330
  426    H    CYS  61           H        CYS  61  -4.624  -5.147   5.153
  427    HA   CYS  61           HA       CYS  61  -7.266  -5.551   6.241
  428    HB2  CYS  61           2HB      CYS  61  -6.113  -3.440   6.620
  429    HB3  CYS  61           3HB      CYS  61  -5.927  -3.194   4.890
  430    H    HIS  62           H        HIS  62  -5.980  -6.673   3.572
  431    HA   HIS  62           HA       HIS  62  -6.666  -7.335   1.531
  432    HB2  HIS  62           2HB      HIS  62  -9.160  -7.158   3.098
  433    HB3  HIS  62           3HB      HIS  62  -9.372  -7.185   1.348
  434    HD1  HIS  62           HD1      HIS  62 -10.012  -9.553   3.514
  435    HD2  HIS  62           HD2      HIS  62  -6.876  -9.336   0.786
  436    HE1  HIS  62           HE1      HIS  62  -9.287 -11.930   3.113
  437    HE2  HIS  62           HE2      HIS  62  -7.423 -11.782   1.418
  438    H    HIS  63           H        HIS  63  -5.909  -4.653   1.802
  439    HA   HIS  63           HA       HIS  63  -7.451  -3.488  -0.414
  440    HB2  HIS  63           2HB      HIS  63  -6.515  -2.258   2.103
  441    HB3  HIS  63           3HB      HIS  63  -6.184  -1.318   0.649
  442    HD2  HIS  63           HD2      HIS  63  -8.923  -1.710  -0.979
  443    HE1  HIS  63           HE1      HIS  63 -10.856  -0.333   2.520
  444    HE2  HIS  63           HE2      HIS  63 -11.125  -0.937   0.101
  445    H    TYR  64           H        TYR  64  -6.244  -2.463  -2.064
  446    HA   TYR  64           HA       TYR  64  -3.489  -3.518  -2.151
  447    HB2  TYR  64           2HB      TYR  64  -5.515  -3.238  -4.382
  448    HB3  TYR  64           3HB      TYR  64  -3.829  -3.685  -4.622
  449    HD1  TYR  64           HD1      TYR  64  -7.071  -4.788  -3.292
  450    HD2  TYR  64           HD2      TYR  64  -3.031  -5.875  -4.063
  451    HE1  TYR  64           HE1      TYR  64  -7.641  -7.150  -2.908
  452    HE2  TYR  64           HE2      TYR  64  -3.587  -8.237  -3.693
  453    HH   TYR  64           HH       TYR  64  -5.389  -9.497  -2.324
  454    H    PHE  65           H        PHE  65  -1.904  -2.205  -2.625
  455    HA   PHE  65           HA       PHE  65  -2.382   0.313  -4.004
  456    HB2  PHE  65           2HB      PHE  65  -0.988   0.148  -1.314
  457    HB3  PHE  65           3HB      PHE  65  -1.030   1.575  -2.342
  458    HD1  PHE  65           HD2      PHE  65  -3.285   2.625  -2.838
  459    HD2  PHE  65           HD1      PHE  65  -2.697  -0.289   0.210
  460    HE1  PHE  65           HE2      PHE  65  -5.387   3.324  -1.767
  461    HE2  PHE  65           HE1      PHE  65  -4.799   0.406   1.284
  462    HZ   PHE  65           HZ       PHE  65  -6.145   2.215   0.296
  463    H    HIS  66           H        HIS  66  -0.095   1.362  -4.374
  464    HA   HIS  66           HA       HIS  66   1.679  -0.761  -5.271
  465    HB2  HIS  66           2HB      HIS  66   1.849   2.243  -5.587
  466    HB3  HIS  66           3HB      HIS  66   3.053   1.122  -6.205
  467    HD2  HIS  66           HD2      HIS  66   1.493  -0.933  -7.947
  468    HE1  HIS  66           HE1      HIS  66  -0.684   2.325  -9.574
  469    HE2  HIS  66           HE2      HIS  66   0.180  -0.003  -9.966
  470    H    LYS  67           H        LYS  67   3.626  -1.247  -4.348
  471    HA   LYS  67           HA       LYS  67   3.866  -0.760  -1.602
  472    HB2  LYS  67           2HB      LYS  67   4.772  -2.764  -2.719
  473    HB3  LYS  67           3HB      LYS  67   6.012  -1.772  -3.473
  474    HG2  LYS  67           2HG      LYS  67   6.985  -1.268  -1.327
  475    HG3  LYS  67           3HG      LYS  67   5.670  -2.101  -0.497
  476    HD2  LYS  67           2HD      LYS  67   6.359  -4.215  -1.472
  477    HD3  LYS  67           3HD      LYS  67   7.631  -3.402  -2.387
  478    HE2  LYS  67           2HE      LYS  67   8.729  -2.755  -0.311
  479    HE3  LYS  67           3HE      LYS  67   7.437  -3.502   0.625
  480    HZ1  LYS  67           3HZ      LYS  67   9.527  -4.843   0.355
  481    HZ2  LYS  67           1HZ      LYS  67   9.124  -5.032  -1.281
  482    HZ3  LYS  67           2HZ      LYS  67   8.098  -5.641  -0.077
  483    HA   PRO  68           HA       PRO  68   7.485   2.352  -2.677
  484    HB2  PRO  68           2HB      PRO  68   7.125   3.590  -5.123
  485    HB3  PRO  68           3HB      PRO  68   8.282   2.297  -4.802
  486    HG2  PRO  68           2HG      PRO  68   5.568   2.145  -6.039
  487    HG3  PRO  68           3HG      PRO  68   7.050   1.270  -6.466
  488    HD2  PRO  68           2HD      PRO  68   5.075   0.104  -5.076
  489    HD3  PRO  68           3HD      PRO  68   6.783  -0.269  -4.765
  490    H    CYS  69           H        CYS  69   4.138   2.594  -3.535
  491    HA   CYS  69           HA       CYS  69   3.975   5.443  -3.028
  492    HB2  CYS  69           2HB      CYS  69   1.756   3.409  -3.357
  493    HB3  CYS  69           3HB      CYS  69   1.559   5.157  -3.329
  494    H    VAL  70           H        VAL  70   2.828   2.463  -1.470
  495    HA   VAL  70           HA       VAL  70   1.583   3.849   0.675
  496    HB   VAL  70           HB       VAL  70   0.884   1.601  -0.168
  497   HG11  VAL  70          1HG1      VAL  70   2.026  -0.390   0.694
  498   HG12  VAL  70          2HG1      VAL  70   3.299   0.640   1.353
  499   HG13  VAL  70          3HG1      VAL  70   3.053   0.549  -0.391
  500   HG21  VAL  70          3HG2      VAL  70   0.297   0.700   2.027
  501   HG22  VAL  70          1HG2      VAL  70   0.056   2.445   1.949
  502   HG23  VAL  70          2HG2      VAL  70   1.465   1.785   2.781
  503    H    SER  71           H        SER  71   4.775   2.587   0.149
  504    HA   SER  71           HA       SER  71   5.618   2.326   2.808
  505    HB2  SER  71           2HB      SER  71   7.938   2.747   1.772
  506    HB3  SER  71           3HB      SER  71   7.020   1.361   1.184
  507    HG   SER  71           HG       SER  71   6.758   2.302  -0.700
  508    H    ILE  72           H        ILE  72   5.355   5.147   0.728
  509    HA   ILE  72           HA       ILE  72   6.759   6.909   2.503
  510    HB   ILE  72           HB       ILE  72   4.784   7.585   0.315
  511   HG12  ILE  72          2HG1      ILE  72   7.811   7.493   0.242
  512   HG13  ILE  72          3HG1      ILE  72   6.738   6.312  -0.501
  513   HG21  ILE  72          1HG2      ILE  72   5.812   9.807   0.355
  514   HG22  ILE  72          2HG2      ILE  72   6.828   9.312   1.709
  515   HG23  ILE  72          3HG2      ILE  72   5.079   9.405   1.909
  516   HD11  ILE  72          3HD1      ILE  72   7.602   7.870  -2.145
  517   HD12  ILE  72          1HD1      ILE  72   6.929   9.223  -1.236
  518   HD13  ILE  72          2HD1      ILE  72   5.854   8.040  -1.979
  519    H    TRP  73           H        TRP  73   3.371   6.162   1.849
  520    HA   TRP  73           HA       TRP  73   2.211   8.088   3.530
  521    HB2  TRP  73           2HB      TRP  73   0.963   6.902   1.785
  522    HB3  TRP  73           3HB      TRP  73   1.138   5.390   2.670
  523    HD1  TRP  73           HD1      TRP  73  -0.512   4.953   4.685
  524    HE1  TRP  73           HE1      TRP  73  -2.641   6.142   5.506
  525    HE3  TRP  73           HE3      TRP  73  -0.110   9.289   1.998
  526    HZ2  TRP  73           HZ2      TRP  73  -3.969   8.589   5.074
  527    HZ3  TRP  73           HZ3      TRP  73  -1.857  10.999   2.261
  528    HH2  TRP  73           HH2      TRP  73  -3.749  10.655   3.767
  529    H    LEU  74           H        LEU  74   3.164   4.734   4.128
  530    HA   LEU  74           HA       LEU  74   2.003   4.522   6.691
  531    HB2  LEU  74           2HB      LEU  74   4.317   2.996   5.503
  532    HB3  LEU  74           3HB      LEU  74   3.444   2.538   6.954
  533    HG   LEU  74           HG       LEU  74   2.255   2.706   4.184
  534   HD11  LEU  74          1HD1      LEU  74   3.832   0.870   4.391
  535   HD12  LEU  74          2HD1      LEU  74   2.178   0.272   4.296
  536   HD13  LEU  74          3HD1      LEU  74   3.013   0.311   5.849
  537   HD21  LEU  74          3HD2      LEU  74   0.302   1.648   5.184
  538   HD22  LEU  74          1HD2      LEU  74   0.636   3.201   5.947
  539   HD23  LEU  74          2HD2      LEU  74   1.068   1.703   6.771
  540    H    GLN  75           H        GLN  75   4.967   5.958   5.621
  541    HA   GLN  75           HA       GLN  75   6.295   5.867   8.154
  542    HB2  GLN  75           2HB      GLN  75   6.777   7.600   5.726
  543    HB3  GLN  75           3HB      GLN  75   7.817   7.570   7.143
  544    HG2  GLN  75           2HG      GLN  75   8.272   5.200   6.756
  545    HG3  GLN  75           3HG      GLN  75   7.244   5.241   5.324
  546   HE21  GLN  75          1HE2      GLN  75   8.882   4.679   3.940
  547   HE22  GLN  75          2HE2      GLN  75  10.186   5.739   3.538
  548    H    LYS  76           H        LYS  76   3.772   7.735   6.880
  549    HA   LYS  76           HA       LYS  76   4.165   9.839   8.901
  550    HB2  LYS  76           2HB      LYS  76   2.177   9.820   6.626
  551    HB3  LYS  76           3HB      LYS  76   2.619  11.184   7.643
  552    HG2  LYS  76           2HG      LYS  76   4.886  11.132   6.688
  553    HG3  LYS  76           3HG      LYS  76   4.388   9.808   5.631
  554    HD2  LYS  76           2HD      LYS  76   2.611  11.291   4.717
  555    HD3  LYS  76           3HD      LYS  76   3.277  12.609   5.681
  556    HE2  LYS  76           2HE      LYS  76   4.691  11.094   3.492
  557    HE3  LYS  76           3HE      LYS  76   4.089  12.749   3.406
  558    HZ1  LYS  76           3HZ      LYS  76   5.651  13.122   5.406
  559    HZ2  LYS  76           1HZ      LYS  76   6.322  13.018   3.850
  560    HZ3  LYS  76           2HZ      LYS  76   6.399  11.687   4.897
  561    H    SER  77           H        SER  77   1.814   7.563   7.587
  562    HA   SER  77           HA       SER  77   0.567   7.271  10.184
  563    HB2  SER  77           2HB      SER  77  -1.725   7.669   9.145
  564    HB3  SER  77           3HB      SER  77  -0.739   9.111   9.393
  565    HG   SER  77           HG       SER  77  -0.688   7.711   6.935
  566    H    GLY  78           H        GLY  78   0.494   5.122  10.428
  567    HA2  GLY  78           2HA      GLY  78   0.589   3.355   8.157
  568    HA3  GLY  78           3HA      GLY  78   0.500   2.879   9.847
  569    H    THR  79           H        THR  79  -1.390   3.957   7.079
  570    HA   THR  79           HA       THR  79  -3.688   2.450   8.055
  571    HB   THR  79           HB       THR  79  -5.080   4.576   7.307
  572    HG1  THR  79           HG1      THR  79  -2.502   5.533   7.867
  573   HG21  THR  79          3HG2      THR  79  -5.208   5.291   9.649
  574   HG22  THR  79          1HG2      THR  79  -3.765   4.345  10.015
  575   HG23  THR  79          2HG2      THR  79  -5.245   3.535   9.500
  576    H    CYS  80           H        CYS  80  -5.331   2.115   6.370
  577    HA   CYS  80           HA       CYS  80  -4.482   2.375   3.628
  578    HB2  CYS  80           2HB      CYS  80  -7.200   1.840   4.858
  579    HB3  CYS  80           3HB      CYS  80  -6.943   1.958   3.130
  580    HA   PRO  81           HA       PRO  81  -5.331   6.821   3.625
  581    HB2  PRO  81           2HB      PRO  81  -5.154   7.052   0.866
  582    HB3  PRO  81           3HB      PRO  81  -3.796   7.185   1.988
  583    HG2  PRO  81           2HG      PRO  81  -4.685   4.852   0.352
  584    HG3  PRO  81           3HG      PRO  81  -3.040   5.403   0.727
  585    HD2  PRO  81           2HD      PRO  81  -4.131   3.296   1.980
  586    HD3  PRO  81           3HD      PRO  81  -3.063   4.429   2.834
  587    H    VAL  82           H        VAL  82  -7.042   4.316   2.018
  588    HA   VAL  82           HA       VAL  82  -9.184   6.029   1.078
  589    HB   VAL  82           HB       VAL  82  -8.926   3.018   1.003
  590   HG11  VAL  82          1HG1      VAL  82 -10.844   4.841  -0.444
  591   HG12  VAL  82          2HG1      VAL  82 -11.247   3.748   0.880
  592   HG13  VAL  82          3HG1      VAL  82 -10.705   3.096  -0.667
  593   HG21  VAL  82          3HG2      VAL  82  -7.179   4.099  -0.290
  594   HG22  VAL  82          1HG2      VAL  82  -8.378   5.086  -1.125
  595   HG23  VAL  82          2HG2      VAL  82  -8.352   3.338  -1.364
  596    H    CYS  83           H        CYS  83  -8.905   3.268   3.359
  597    HA   CYS  83           HA       CYS  83 -11.668   3.755   4.173
  598    HB2  CYS  83           2HB      CYS  83 -11.658   1.545   5.103
  599    HB3  CYS  83           3HB      CYS  83 -10.918   1.459   3.508
  600    H    ARG  84           H        ARG  84  -8.555   4.457   5.286
  601    HA   ARG  84           HA       ARG  84  -7.793   5.498   7.148
  602    HB2  ARG  84           2HB      ARG  84 -10.651   5.354   8.119
  603    HB3  ARG  84           3HB      ARG  84  -9.354   6.214   8.932
  604    HG2  ARG  84           2HG      ARG  84 -10.330   6.832   6.155
  605    HG3  ARG  84           3HG      ARG  84 -10.852   7.666   7.619
  606    HD2  ARG  84           2HD      ARG  84  -8.340   8.099   8.000
  607    HD3  ARG  84           3HD      ARG  84  -8.164   7.675   6.297
  608    HE   ARG  84           HE       ARG  84 -10.079   9.764   7.066
  609   HH11  ARG  84          1HH1      ARG  84  -7.124   8.834   5.434
  610   HH12  ARG  84          2HH1      ARG  84  -6.934  10.357   4.621
  611   HH21  ARG  84          1HH2      ARG  84  -9.820  11.784   6.038
  612   HH22  ARG  84          2HH2      ARG  84  -8.492  12.024   4.940
  613    H    CYS  85           H        CYS  85  -8.732   2.403   6.974
  614    HA   CYS  85           HA       CYS  85  -8.627   1.616   9.717
  615    HB2  CYS  85           2HB      CYS  85  -9.702   0.236   7.939
  616    HB3  CYS  85           3HB      CYS  85  -8.104  -0.090   7.276
  617    HG   CYS  85           HG       CYS  85  -8.887  -0.910  10.490
  618    H    MET  86           H        MET  86  -6.953   0.618  10.827
  619    HA   MET  86           HA       MET  86  -4.432   1.876  10.366
  620    HB2  MET  86           2HB      MET  86  -5.446   1.536  12.606
  621    HB3  MET  86           3HB      MET  86  -5.200  -0.195  12.427
  622    HG2  MET  86           2HG      MET  86  -2.748   0.269  12.211
  623    HG3  MET  86           3HG      MET  86  -3.096   1.942  12.642
  624    HE1  MET  86           3HE      MET  86  -4.467   2.538  14.941
  625    HE2  MET  86           1HE      MET  86  -4.733   1.366  16.231
  626    HE3  MET  86           2HE      MET  86  -5.613   1.214  14.709
  627    H    PHE  87           H        PHE  87  -2.485   1.016   9.854
  628    HA   PHE  87           HA       PHE  87  -2.299  -1.882   9.388
  629    HB2  PHE  87           2HB      PHE  87  -2.305  -0.896   7.195
  630    HB3  PHE  87           3HB      PHE  87  -1.159   0.346   7.689
  631    HD1  PHE  87           HD1      PHE  87  -1.542  -3.269   7.040
  632    HD2  PHE  87           HD2      PHE  87   1.166  -0.037   7.605
  633    HE1  PHE  87           HE1      PHE  87   0.321  -4.706   6.327
  634    HE2  PHE  87           HE2      PHE  87   3.032  -1.469   6.893
  635    HZ   PHE  87           HZ       PHE  87   2.611  -3.807   6.253
  636    HA   PRO  88           HA       PRO  88  -1.290  -3.470   9.743
  637    HB2  PRO  88           2HB      PRO  88  -0.640  -5.017  11.859
  638    HB3  PRO  88           3HB      PRO  88   0.491  -4.712  10.536
  639    HG2  PRO  88           2HG      PRO  88   0.347  -3.433  13.237
  640    HG3  PRO  88           3HG      PRO  88   1.773  -3.977  12.333
  641    HD2  PRO  88           2HD      PRO  88   0.966  -1.372  12.443
  642    HD3  PRO  88           3HD      PRO  88   1.855  -2.062  11.072
  643    HA   PRO  89           HA       PRO  89  -5.182  -3.052  11.759
  644    HB2  PRO  89           2HB      PRO  89  -5.100  -6.014  12.144
  645    HB3  PRO  89           3HB      PRO  89  -6.368  -5.009  11.434
  646    HG2  PRO  89           2HG      PRO  89  -4.770  -6.454   9.882
  647    HG3  PRO  89           3HG      PRO  89  -5.262  -4.818   9.401
  648    HD2  PRO  89           2HD      PRO  89  -2.651  -5.776  10.482
  649    HD3  PRO  89           3HD      PRO  89  -2.982  -4.509   9.284
  650    HA   PRO  90           HA       PRO  90  -4.248  -2.829  16.061
  651    HB2  PRO  90           2HB      PRO  90  -6.815  -2.592  17.000
  652    HB3  PRO  90           3HB      PRO  90  -5.893  -1.262  16.294
  653    HG2  PRO  90           2HG      PRO  90  -7.965  -3.011  15.035
  654    HG3  PRO  90           3HG      PRO  90  -7.724  -1.262  14.873
  655    HD2  PRO  90           2HD      PRO  90  -6.919  -2.986  12.975
  656    HD3  PRO  90           3HD      PRO  90  -5.999  -1.514  13.352
  657    H    LEU  91           H        LEU  91  -4.368  -4.036  17.960
  658    HA   LEU  91           HA       LEU  91  -5.418  -6.758  17.571
  659    HB2  LEU  91           2HB      LEU  91  -3.128  -5.817  19.301
  660    HB3  LEU  91           3HB      LEU  91  -3.661  -7.477  19.137
  661    HG   LEU  91           HG       LEU  91  -2.496  -5.795  16.917
  662   HD11  LEU  91          1HD1      LEU  91  -0.556  -7.278  17.111
  663   HD12  LEU  91          2HD1      LEU  91  -1.296  -8.054  18.511
  664   HD13  LEU  91          3HD1      LEU  91  -0.828  -6.357  18.591
  665   HD21  LEU  91          3HD2      LEU  91  -4.094  -7.441  16.103
  666   HD22  LEU  91          1HD2      LEU  91  -3.256  -8.711  16.993
  667   HD23  LEU  91          2HD2      LEU  91  -2.446  -7.888  15.660
  Start of MODEL    9
    1    H1   MET   1           1H       MET   1 -32.477 -10.857  16.882
    2    H2   MET   1           2H       MET   1 -31.193 -11.440  17.827
    3    H3   MET   1           3H       MET   1 -32.695 -12.231  17.850
    4    HA   MET   1           HA       MET   1 -31.024 -13.416  16.546
    5    HB2  MET   1           2HB      MET   1 -32.435 -13.859  14.636
    6    HB3  MET   1           3HB      MET   1 -33.443 -13.628  16.057
    7    HG2  MET   1           2HG      MET   1 -33.934 -11.345  15.325
    8    HG3  MET   1           3HG      MET   1 -32.940 -11.599  13.891
    9    HE1  MET   1           3HE      MET   1 -35.940 -10.587  13.687
   10    HE2  MET   1           1HE      MET   1 -36.526 -11.586  12.357
   11    HE3  MET   1           2HE      MET   1 -34.905 -10.896  12.294
   12    H    GLY   2           H        GLY   2 -31.120 -10.080  16.033
   13    HA2  GLY   2           2HA      GLY   2 -28.788 -10.242  14.327
   14    HA3  GLY   2           3HA      GLY   2 -30.196  -9.501  13.575
   15    H    HIS   3           H        HIS   3 -28.279  -7.802  13.617
   16    HA   HIS   3           HA       HIS   3 -28.791  -6.103  15.975
   17    HB2  HIS   3           2HB      HIS   3 -26.175  -6.507  14.518
   18    HB3  HIS   3           3HB      HIS   3 -26.464  -5.170  15.624
   19    HD1  HIS   3           HD1      HIS   3 -24.388  -7.645  15.903
   20    HD2  HIS   3           HD2      HIS   3 -27.948  -7.059  17.980
   21    HE1  HIS   3           HE1      HIS   3 -24.146  -8.933  18.050
   22    HE2  HIS   3           HE2      HIS   3 -26.369  -8.695  19.215
   23    H    HIS   4           H        HIS   4 -27.488  -6.010  12.670
   24    HA   HIS   4           HA       HIS   4 -27.620  -4.495  10.997
   25    HB2  HIS   4           2HB      HIS   4 -29.968  -5.176  10.993
   26    HB3  HIS   4           3HB      HIS   4 -30.341  -3.961  12.210
   27    HD1  HIS   4           HD1      HIS   4 -28.551  -3.766   8.841
   28    HD2  HIS   4           HD2      HIS   4 -31.611  -1.926  10.974
   29    HE1  HIS   4           HE1      HIS   4 -29.390  -1.921   7.361
   30    HE2  HIS   4           HE2      HIS   4 -31.292  -0.865   8.629
   31    H    HIS   5           H        HIS   5 -25.888  -3.406  12.292
   32    HA   HIS   5           HA       HIS   5 -26.618  -0.572  12.449
   33    HB2  HIS   5           2HB      HIS   5 -24.852  -1.877  14.542
   34    HB3  HIS   5           3HB      HIS   5 -25.291  -0.179  14.454
   35    HD1  HIS   5           HD1      HIS   5 -28.054   0.199  14.732
   36    HD2  HIS   5           HD2      HIS   5 -26.359  -3.285  16.243
   37    HE1  HIS   5           HE1      HIS   5 -29.696  -0.677  16.422
   38    HE2  HIS   5           HE2      HIS   5 -28.561  -2.685  17.447
   39    H    HIS   6           H        HIS   6 -24.911   0.795  11.786
   40    HA   HIS   6           HA       HIS   6 -22.780  -0.538  10.364
   41    HB2  HIS   6           2HB      HIS   6 -22.193   1.572   9.464
   42    HB3  HIS   6           3HB      HIS   6 -23.947   1.583   9.552
   43    HD1  HIS   6           HD1      HIS   6 -25.032   3.187  11.317
   44    HD2  HIS   6           HD2      HIS   6 -20.894   3.471  10.991
   45    HE1  HIS   6           HE1      HIS   6 -24.405   5.354  12.435
   46    HE2  HIS   6           HE2      HIS   6 -21.925   5.593  12.036
   47    H    HIS   7           H        HIS   7 -20.484   0.040  10.753
   48    HA   HIS   7           HA       HIS   7 -19.944  -0.597  13.483
   49    HB2  HIS   7           2HB      HIS   7 -18.653  -1.402  11.447
   50    HB3  HIS   7           3HB      HIS   7 -17.912   0.194  11.394
   51    HD1  HIS   7           HD1      HIS   7 -15.556  -0.438  12.015
   52    HD2  HIS   7           HD2      HIS   7 -18.378  -1.884  14.711
   53    HE1  HIS   7           HE1      HIS   7 -14.239  -1.391  13.938
   54    HE2  HIS   7           HE2      HIS   7 -15.971  -2.048  15.650
   55    H    HIS   8           H        HIS   8 -19.752   0.748  15.113
   56    HA   HIS   8           HA       HIS   8 -19.649   3.598  14.659
   57    HB2  HIS   8           2HB      HIS   8 -21.074   2.569  16.432
   58    HB3  HIS   8           3HB      HIS   8 -19.612   2.091  17.286
   59    HD1  HIS   8           HD1      HIS   8 -21.934   4.894  16.806
   60    HD2  HIS   8           HD2      HIS   8 -18.113   4.335  18.358
   61    HE1  HIS   8           HE1      HIS   8 -21.443   6.954  18.158
   62    HE2  HIS   8           HE2      HIS   8 -19.141   6.592  19.113
   63    H    SER   9           H        SER   9 -17.609   3.915  13.756
   64    HA   SER   9           HA       SER   9 -15.449   3.954  15.731
   65    HB2  SER   9           2HB      SER   9 -15.128   2.955  12.888
   66    HB3  SER   9           3HB      SER   9 -13.835   3.137  14.070
   67    HG   SER   9           HG       SER   9 -15.028   1.598  15.386
   68    H    HIS  10           H        HIS  10 -13.678   5.420  15.071
   69    HA   HIS  10           HA       HIS  10 -14.198   7.271  12.922
   70    HB2  HIS  10           2HB      HIS  10 -15.543   8.261  14.716
   71    HB3  HIS  10           3HB      HIS  10 -14.154   8.234  15.795
   72    HD1  HIS  10           HD1      HIS  10 -14.015  10.743  16.130
   73    HD2  HIS  10           HD2      HIS  10 -13.903   9.632  12.125
   74    HE1  HIS  10           HE1      HIS  10 -13.377  12.823  14.866
   75    HE2  HIS  10           HE2      HIS  10 -13.450  12.161  12.432
   76    H    MET  11           H        MET  11 -12.288   7.121  11.962
   77    HA   MET  11           HA       MET  11  -9.868   7.328  13.634
   78    HB2  MET  11           2HB      MET  11 -10.271   6.026  10.940
   79    HB3  MET  11           3HB      MET  11  -8.693   6.284  11.666
   80    HG2  MET  11           2HG      MET  11 -10.909   4.617  12.833
   81    HG3  MET  11           3HG      MET  11  -9.490   4.001  11.989
   82    HE1  MET  11           3HE      MET  11 -10.332   2.976  14.862
   83    HE2  MET  11           1HE      MET  11  -8.771   2.954  15.682
   84    HE3  MET  11           2HE      MET  11  -8.896   2.410  14.009
   85    H    VAL  12           H        VAL  12  -8.416   8.894  13.221
   86    HA   VAL  12           HA       VAL  12  -8.608  10.470  10.790
   87    HB   VAL  12           HB       VAL  12 -10.254  11.551  12.254
   88   HG11  VAL  12          1HG1      VAL  12  -9.353  10.939  14.417
   89   HG12  VAL  12          2HG1      VAL  12  -9.547  12.687  14.308
   90   HG13  VAL  12          3HG1      VAL  12  -7.945  11.967  14.146
   91   HG21  VAL  12          3HG2      VAL  12  -9.369  13.836  12.154
   92   HG22  VAL  12          1HG2      VAL  12  -9.028  12.934  10.677
   93   HG23  VAL  12          2HG2      VAL  12  -7.753  13.191  11.867
   94    H    ALA  13           H        ALA  13  -6.983   9.574  13.733
   95    HA   ALA  13           HA       ALA  13  -4.449  10.458  12.567
   96    HB1  ALA  13           3HB      ALA  13  -5.155  12.260  14.078
   97    HB2  ALA  13           1HB      ALA  13  -3.704  11.446  14.665
   98    HB3  ALA  13           2HB      ALA  13  -5.269  11.098  15.400
   99    H    ASN  14           H        ASN  14  -3.092   8.789  12.578
  100    HA   ASN  14           HA       ASN  14  -3.147   6.904  14.816
  101    HB2  ASN  14           2HB      ASN  14  -4.586   6.126  12.804
  102    HB3  ASN  14           3HB      ASN  14  -3.047   5.869  11.991
  103   HD21  ASN  14          1HD2      ASN  14  -1.621   4.265  12.804
  104   HD22  ASN  14          2HD2      ASN  14  -2.207   2.998  13.823
  105    HA   PRO  15           HA       PRO  15   1.248   7.502  14.559
  106    HB2  PRO  15           2HB      PRO  15   1.937   5.014  15.608
  107    HB3  PRO  15           3HB      PRO  15   1.597   6.467  16.551
  108    HG2  PRO  15           2HG      PRO  15  -0.191   4.168  15.902
  109    HG3  PRO  15           3HG      PRO  15  -0.054   5.094  17.408
  110    HD2  PRO  15           2HD      PRO  15  -2.084   5.499  15.721
  111    HD3  PRO  15           3HD      PRO  15  -1.326   6.857  16.579
  112    HA   PRO  16           HA       PRO  16   2.521   5.541  10.815
  113    HB2  PRO  16           2HB      PRO  16   5.228   5.566  11.150
  114    HB3  PRO  16           3HB      PRO  16   4.284   6.998  10.730
  115    HG2  PRO  16           2HG      PRO  16   5.318   6.126  13.398
  116    HG3  PRO  16           3HG      PRO  16   5.306   7.745  12.676
  117    HD2  PRO  16           2HD      PRO  16   3.493   6.989  14.518
  118    HD3  PRO  16           3HD      PRO  16   3.085   8.099  13.196
  119    H    ALA  17           H        ALA  17   3.647   3.677   9.946
  120    HA   ALA  17           HA       ALA  17   3.474   1.413  11.763
  121    HB1  ALA  17           3HB      ALA  17   2.408   1.294   9.552
  122    HB2  ALA  17           1HB      ALA  17   3.634   0.044   9.756
  123    HB3  ALA  17           2HB      ALA  17   3.988   1.476   8.789
  124    H    SER  18           H        SER  18   5.203  -0.379  11.213
  125    HA   SER  18           HA       SER  18   7.804   0.813  11.762
  126    HB2  SER  18           2HB      SER  18   6.953  -1.106  13.125
  127    HB3  SER  18           3HB      SER  18   7.011  -2.112  11.679
  128    HG   SER  18           HG       SER  18   9.153  -0.929  13.101
  129    H    LYS  19           H        LYS  19   9.603   0.576  10.470
  130    HA   LYS  19           HA       LYS  19   9.270   0.522   7.701
  131    HB2  LYS  19           2HB      LYS  19  11.230   1.470   8.961
  132    HB3  LYS  19           3HB      LYS  19  11.809  -0.176   9.184
  133    HG2  LYS  19           2HG      LYS  19  11.378  -0.028   6.469
  134    HG3  LYS  19           3HG      LYS  19  12.001   1.572   6.869
  135    HD2  LYS  19           2HD      LYS  19  13.297  -1.084   7.478
  136    HD3  LYS  19           3HD      LYS  19  13.835   0.109   6.294
  137    HE2  LYS  19           2HE      LYS  19  14.199   1.714   8.144
  138    HE3  LYS  19           3HE      LYS  19  13.756   0.448   9.289
  139    HZ1  LYS  19           3HZ      LYS  19  15.608  -0.890   8.350
  140    HZ2  LYS  19           1HZ      LYS  19  16.108   0.517   9.152
  141    HZ3  LYS  19           2HZ      LYS  19  16.084   0.469   7.458
  142    H    GLU  20           H        GLU  20  10.112  -2.046   9.954
  143    HA   GLU  20           HA       GLU  20  10.820  -3.937   7.941
  144    HB2  GLU  20           2HB      GLU  20  10.142  -4.327  10.859
  145    HB3  GLU  20           3HB      GLU  20  10.841  -5.557   9.812
  146    HG2  GLU  20           2HG      GLU  20  12.813  -4.178   9.478
  147    HG3  GLU  20           3HG      GLU  20  12.112  -2.913  10.482
  148    H    SER  21           H        SER  21   7.842  -2.993   9.442
  149    HA   SER  21           HA       SER  21   6.378  -5.307   8.586
  150    HB2  SER  21           2HB      SER  21   5.383  -2.574   9.432
  151    HB3  SER  21           3HB      SER  21   4.386  -4.018   9.239
  152    HG   SER  21           HG       SER  21   5.675  -4.998  10.891
  153    H    ILE  22           H        ILE  22   7.181  -2.168   7.296
  154    HA   ILE  22           HA       ILE  22   5.443  -2.361   5.015
  155    HB   ILE  22           HB       ILE  22   7.839  -0.559   5.414
  156   HG12  ILE  22          2HG1      ILE  22   4.915   0.021   5.944
  157   HG13  ILE  22          3HG1      ILE  22   6.106  -0.322   7.196
  158   HG21  ILE  22          1HG2      ILE  22   6.741   0.853   3.725
  159   HG22  ILE  22          2HG2      ILE  22   5.484  -0.370   3.536
  160   HG23  ILE  22          3HG2      ILE  22   7.149  -0.741   3.089
  161   HD11  ILE  22          3HD1      ILE  22   5.704   2.059   7.008
  162   HD12  ILE  22          1HD1      ILE  22   6.147   2.015   5.302
  163   HD13  ILE  22          2HD1      ILE  22   7.359   1.670   6.535
  164    H    ASP  23           H        ASP  23   8.871  -2.880   5.689
  165    HA   ASP  23           HA       ASP  23   9.747  -3.522   3.115
  166    HB2  ASP  23           2HB      ASP  23  11.333  -3.163   4.906
  167    HB3  ASP  23           3HB      ASP  23  10.684  -4.526   5.810
  168    H    ALA  24           H        ALA  24   8.090  -5.433   5.524
  169    HA   ALA  24           HA       ALA  24   8.489  -7.935   4.178
  170    HB1  ALA  24           3HB      ALA  24   7.070  -8.873   5.909
  171    HB2  ALA  24           1HB      ALA  24   6.633  -7.251   6.451
  172    HB3  ALA  24           2HB      ALA  24   8.297  -7.817   6.610
  173    H    LEU  25           H        LEU  25   6.479  -5.367   3.520
  174    HA   LEU  25           HA       LEU  25   4.069  -6.690   2.857
  175    HB2  LEU  25           2HB      LEU  25   5.292  -4.122   1.852
  176    HB3  LEU  25           3HB      LEU  25   3.709  -4.685   1.353
  177    HG   LEU  25           HG       LEU  25   4.520  -4.005   4.179
  178   HD11  LEU  25          1HD1      LEU  25   2.770  -2.558   2.199
  179   HD12  LEU  25          2HD1      LEU  25   4.332  -2.022   2.817
  180   HD13  LEU  25          3HD1      LEU  25   2.945  -2.131   3.901
  181   HD21  LEU  25          3HD2      LEU  25   2.150  -4.287   4.703
  182   HD22  LEU  25          1HD2      LEU  25   2.856  -5.790   4.109
  183   HD23  LEU  25          2HD2      LEU  25   1.841  -4.812   3.048
  184    HA   PRO  26           HA       PRO  26   5.492  -9.116  -0.544
  185    HB2  PRO  26           2HB      PRO  26   3.021  -9.610  -1.640
  186    HB3  PRO  26           3HB      PRO  26   3.692 -10.491  -0.266
  187    HG2  PRO  26           2HG      PRO  26   1.749  -8.217  -0.291
  188    HG3  PRO  26           3HG      PRO  26   1.743  -9.687   0.703
  189    HD2  PRO  26           2HD      PRO  26   2.575  -7.335   1.687
  190    HD3  PRO  26           3HD      PRO  26   3.353  -8.860   2.156
  191    H    GLU  27           H        GLU  27   6.167  -8.656  -2.541
  192    HA   GLU  27           HA       GLU  27   5.068  -6.260  -3.830
  193    HB2  GLU  27           2HB      GLU  27   7.701  -7.701  -4.173
  194    HB3  GLU  27           3HB      GLU  27   7.184  -6.371  -5.203
  195    HG2  GLU  27           2HG      GLU  27   7.112  -4.877  -3.328
  196    HG3  GLU  27           3HG      GLU  27   7.460  -6.195  -2.216
  197    H    ILE  28           H        ILE  28   3.602  -6.600  -5.318
  198    HA   ILE  28           HA       ILE  28   3.722  -9.077  -6.919
  199    HB   ILE  28           HB       ILE  28   1.285  -7.400  -6.279
  200   HG12  ILE  28          2HG1      ILE  28   2.042 -10.106  -5.153
  201   HG13  ILE  28          3HG1      ILE  28   2.269  -8.584  -4.295
  202   HG21  ILE  28          1HG2      ILE  28   1.526 -10.113  -7.575
  203   HG22  ILE  28          2HG2      ILE  28   1.135  -8.604  -8.400
  204   HG23  ILE  28          3HG2      ILE  28   0.021  -9.271  -7.206
  205   HD11  ILE  28          3HD1      ILE  28  -0.150  -8.205  -4.364
  206   HD12  ILE  28          1HD1      ILE  28   0.266  -9.708  -3.543
  207   HD13  ILE  28          2HD1      ILE  28  -0.358  -9.749  -5.191
  208    H    LEU  29           H        LEU  29   3.845  -8.865  -9.092
  209    HA   LEU  29           HA       LEU  29   4.080  -6.183 -10.174
  210    HB2  LEU  29           2HB      LEU  29   5.718  -7.939 -10.762
  211    HB3  LEU  29           3HB      LEU  29   4.434  -8.867 -11.510
  212    HG   LEU  29           HG       LEU  29   4.087  -6.990 -13.121
  213   HD11  LEU  29          1HD1      LEU  29   5.007  -5.175 -11.810
  214   HD12  LEU  29          2HD1      LEU  29   5.874  -5.320 -13.339
  215   HD13  LEU  29          3HD1      LEU  29   6.604  -5.923 -11.850
  216   HD21  LEU  29          3HD2      LEU  29   6.847  -8.204 -13.056
  217   HD22  LEU  29          1HD2      LEU  29   6.072  -7.483 -14.466
  218   HD23  LEU  29          2HD2      LEU  29   5.399  -8.944 -13.741
  219    H    VAL  30           H        VAL  30   2.342  -5.157 -10.900
  220    HA   VAL  30           HA       VAL  30  -0.108  -6.487 -11.516
  221    HB   VAL  30           HB       VAL  30   0.708  -3.649 -12.188
  222   HG11  VAL  30          1HG1      VAL  30  -1.225  -4.436 -13.467
  223   HG12  VAL  30          2HG1      VAL  30  -1.686  -3.197 -12.298
  224   HG13  VAL  30          3HG1      VAL  30  -2.032  -4.896 -11.968
  225   HG21  VAL  30          3HG2      VAL  30  -0.516  -3.030 -10.139
  226   HG22  VAL  30          1HG2      VAL  30   0.898  -4.034  -9.807
  227   HG23  VAL  30          2HG2      VAL  30  -0.716  -4.742  -9.765
  228    H    THR  31           H        THR  31  -0.910  -7.121 -13.446
  229    HA   THR  31           HA       THR  31   0.670  -6.539 -15.847
  230    HB   THR  31           HB       THR  31   0.075  -8.860 -16.638
  231    HG1  THR  31           HG1      THR  31  -1.018 -10.148 -15.367
  232   HG21  THR  31          3HG2      THR  31   1.852  -9.976 -15.382
  233   HG22  THR  31          1HG2      THR  31   1.803  -8.701 -14.163
  234   HG23  THR  31          2HG2      THR  31   2.323  -8.332 -15.808
  235    H    GLU  32           H        GLU  32  -0.703  -7.275 -17.855
  236    HA   GLU  32           HA       GLU  32  -2.986  -5.573 -17.844
  237    HB2  GLU  32           2HB      GLU  32  -1.923  -7.460 -19.954
  238    HB3  GLU  32           3HB      GLU  32  -3.230  -6.311 -20.211
  239    HG2  GLU  32           2HG      GLU  32  -0.421  -5.577 -19.425
  240    HG3  GLU  32           3HG      GLU  32  -1.063  -5.520 -21.063
  241    H    ASP  33           H        ASP  33  -2.488  -8.972 -17.430
  242    HA   ASP  33           HA       ASP  33  -5.209  -9.720 -18.015
  243    HB2  ASP  33           2HB      ASP  33  -4.580 -11.951 -17.283
  244    HB3  ASP  33           3HB      ASP  33  -3.336 -11.307 -18.350
  245    H    HIS  34           H        HIS  34  -3.798  -8.159 -15.459
  246    HA   HIS  34           HA       HIS  34  -6.089  -8.651 -13.766
  247    HB2  HIS  34           2HB      HIS  34  -4.327 -10.426 -13.223
  248    HB3  HIS  34           3HB      HIS  34  -3.334  -9.107 -12.617
  249    HD1  HIS  34           HD1      HIS  34  -4.369  -7.770 -10.533
  250    HD2  HIS  34           HD2      HIS  34  -6.176 -11.391 -11.467
  251    HE1  HIS  34           HE1      HIS  34  -5.681  -8.420  -8.486
  252    HE2  HIS  34           HE2      HIS  34  -6.616 -10.698  -9.009
  253    H    GLY  35           H        GLY  35  -6.022  -6.384 -14.784
  254    HA2  GLY  35           2HA      GLY  35  -4.140  -4.467 -13.884
  255    HA3  GLY  35           3HA      GLY  35  -5.714  -4.115 -14.583
  256    H    ALA  36           H        ALA  36  -7.566  -4.802 -12.958
  257    HA   ALA  36           HA       ALA  36  -7.228  -3.228 -10.602
  258    HB1  ALA  36           3HB      ALA  36  -9.384  -3.339 -11.738
  259    HB2  ALA  36           1HB      ALA  36  -9.525  -3.891 -10.069
  260    HB3  ALA  36           2HB      ALA  36  -9.494  -5.064 -11.387
  261    H    VAL  37           H        VAL  37  -5.627  -4.122  -9.366
  262    HA   VAL  37           HA       VAL  37  -5.376  -6.850  -8.735
  263    HB   VAL  37           HB       VAL  37  -4.444  -4.613  -6.941
  264   HG11  VAL  37          1HG1      VAL  37  -2.589  -6.157  -6.493
  265   HG12  VAL  37          2HG1      VAL  37  -3.334  -7.347  -7.561
  266   HG13  VAL  37          3HG1      VAL  37  -4.150  -6.860  -6.075
  267   HG21  VAL  37          3HG2      VAL  37  -3.807  -4.008  -9.208
  268   HG22  VAL  37          1HG2      VAL  37  -3.121  -5.613  -9.463
  269   HG23  VAL  37          2HG2      VAL  37  -2.391  -4.517  -8.290
  270    H    GLY  38           H        GLY  38  -6.708  -4.160  -6.854
  271    HA2  GLY  38           2HA      GLY  38  -8.547  -6.093  -5.588
  272    HA3  GLY  38           3HA      GLY  38  -7.875  -4.717  -4.713
  273    H    GLN  39           H        GLN  39  -9.799  -3.588  -4.334
  274    HA   GLN  39           HA       GLN  39 -11.435  -2.877  -6.608
  275    HB2  GLN  39           2HB      GLN  39 -12.681  -1.452  -5.054
  276    HB3  GLN  39           3HB      GLN  39 -12.495  -3.081  -4.428
  277    HG2  GLN  39           2HG      GLN  39 -10.752  -2.341  -2.932
  278    HG3  GLN  39           3HG      GLN  39 -10.833  -0.713  -3.605
  279   HE21  GLN  39          1HE2      GLN  39 -13.642  -2.709  -3.033
  280   HE22  GLN  39          2HE2      GLN  39 -14.299  -1.760  -1.755
  281    H    GLU  40           H        GLU  40  -8.533  -1.822  -5.268
  282    HA   GLU  40           HA       GLU  40  -8.629   0.826  -6.414
  283    HB2  GLU  40           2HB      GLU  40  -6.377  -0.808  -5.239
  284    HB3  GLU  40           3HB      GLU  40  -6.123   0.769  -5.965
  285    HG2  GLU  40           2HG      GLU  40  -6.223   1.071  -3.626
  286    HG3  GLU  40           3HG      GLU  40  -7.727   1.703  -4.294
  287    H    MET  41           H        MET  41  -8.988   0.668  -8.595
  288    HA   MET  41           HA       MET  41  -7.124  -0.896 -10.201
  289    HB2  MET  41           2HB      MET  41  -8.419  -0.166 -12.129
  290    HB3  MET  41           3HB      MET  41  -9.490  -0.806 -10.893
  291    HG2  MET  41           2HG      MET  41  -8.977   2.129 -11.296
  292    HG3  MET  41           3HG      MET  41 -10.296   1.249 -12.062
  293    HE1  MET  41           3HE      MET  41 -11.197  -0.775  -9.851
  294    HE2  MET  41           1HE      MET  41 -12.334   0.203 -10.779
  295    HE3  MET  41           2HE      MET  41 -12.458   0.136  -9.021
  296    H    CYS  42           H        CYS  42  -7.366   2.112  -8.786
  297    HA   CYS  42           HA       CYS  42  -5.048   3.077 -10.289
  298    HB2  CYS  42           2HB      CYS  42  -7.397   4.820  -9.499
  299    HB3  CYS  42           3HB      CYS  42  -5.948   5.340 -10.351
  300    HG   CYS  42           HG       CYS  42  -7.084   3.006 -12.219
  301    H    CYS  43           H        CYS  43  -3.480   3.798  -8.967
  302    HA   CYS  43           HA       CYS  43  -3.730   3.509  -6.134
  303    HB2  CYS  43           2HB      CYS  43  -1.619   3.019  -7.244
  304    HB3  CYS  43           3HB      CYS  43  -1.520   4.664  -7.855
  305    HA   PRO  44           HA       PRO  44  -5.585   7.596  -5.760
  306    HB2  PRO  44           2HB      PRO  44  -5.838   7.492  -3.027
  307    HB3  PRO  44           3HB      PRO  44  -6.996   6.781  -4.156
  308    HG2  PRO  44           2HG      PRO  44  -4.777   5.472  -2.638
  309    HG3  PRO  44           3HG      PRO  44  -6.424   4.888  -2.940
  310    HD2  PRO  44           2HD      PRO  44  -4.318   3.975  -4.341
  311    HD3  PRO  44           3HD      PRO  44  -5.915   4.185  -5.088
  312    H    ILE  45           H        ILE  45  -2.775   6.386  -4.097
  313    HA   ILE  45           HA       ILE  45  -1.941   8.842  -2.932
  314    HB   ILE  45           HB       ILE  45  -0.233   6.457  -3.667
  315   HG12  ILE  45          2HG1      ILE  45  -1.710   7.038  -1.087
  316   HG13  ILE  45          3HG1      ILE  45  -2.172   5.818  -2.271
  317   HG21  ILE  45          1HG2      ILE  45   1.062   8.450  -3.138
  318   HG22  ILE  45          2HG2      ILE  45   1.231   7.240  -1.866
  319   HG23  ILE  45          3HG2      ILE  45   0.180   8.636  -1.623
  320   HD11  ILE  45          3HD1      ILE  45  -0.089   4.624  -1.852
  321   HD12  ILE  45          1HD1      ILE  45  -1.024   4.830  -0.371
  322   HD13  ILE  45          2HD1      ILE  45   0.382   5.851  -0.677
  323    H    CYS  46           H        CYS  46  -1.705   7.479  -6.101
  324    HA   CYS  46           HA       CYS  46   0.185   9.602  -6.897
  325    HB2  CYS  46           2HB      CYS  46  -0.215   6.932  -8.265
  326    HB3  CYS  46           3HB      CYS  46   0.996   8.148  -8.656
  327    H    CYS  47           H        CYS  47  -2.941   8.922  -6.906
  328    HA   CYS  47           HA       CYS  47  -4.750   9.026  -8.279
  329    HB2  CYS  47           2HB      CYS  47  -4.973  11.207  -9.424
  330    HB3  CYS  47           3HB      CYS  47  -4.403  11.360  -7.770
  331    HG   CYS  47           HG       CYS  47  -1.736  11.213  -9.596
  332    H    SER  48           H        SER  48  -2.824   7.292  -9.351
  333    HA   SER  48           HA       SER  48  -3.346   7.591 -12.217
  334    HB2  SER  48           2HB      SER  48  -1.015   8.382 -11.670
  335    HB3  SER  48           3HB      SER  48  -0.651   6.749 -11.117
  336    HG   SER  48           HG       SER  48  -1.311   7.621 -13.729
  337    H    GLU  49           H        GLU  49  -3.406   5.620 -13.364
  338    HA   GLU  49           HA       GLU  49  -4.593   3.545 -11.768
  339    HB2  GLU  49           2HB      GLU  49  -5.125   2.541 -13.981
  340    HB3  GLU  49           3HB      GLU  49  -5.684   4.197 -13.798
  341    HG2  GLU  49           2HG      GLU  49  -3.596   4.910 -15.014
  342    HG3  GLU  49           3HG      GLU  49  -3.336   3.205 -15.383
  343    H    TYR  50           H        TYR  50  -4.179   1.218 -12.337
  344    HA   TYR  50           HA       TYR  50  -1.289   0.706 -12.252
  345    HB2  TYR  50           2HB      TYR  50  -3.639  -1.095 -11.618
  346    HB3  TYR  50           3HB      TYR  50  -1.953  -1.581 -11.527
  347    HD1  TYR  50           HD1      TYR  50  -0.449  -0.135  -9.930
  348    HD2  TYR  50           HD2      TYR  50  -4.693  -0.322  -9.714
  349    HE1  TYR  50           HE1      TYR  50  -0.357   0.605  -7.590
  350    HE2  TYR  50           HE2      TYR  50  -4.611   0.423  -7.372
  351    HH   TYR  50           HH       TYR  50  -3.037   0.468  -5.495
  352    H    VAL  51           H        VAL  51  -0.243  -0.190 -13.923
  353    HA   VAL  51           HA       VAL  51  -1.786  -1.782 -15.856
  354    HB   VAL  51           HB       VAL  51  -0.368  -0.916 -17.702
  355   HG11  VAL  51          1HG1      VAL  51  -1.502   1.233 -17.963
  356   HG12  VAL  51          2HG1      VAL  51  -1.943   1.211 -16.255
  357   HG13  VAL  51          3HG1      VAL  51  -2.606  -0.000 -17.352
  358   HG21  VAL  51          3HG2      VAL  51   0.527   1.129 -15.674
  359   HG22  VAL  51          1HG2      VAL  51   0.896   1.153 -17.398
  360   HG23  VAL  51          2HG2      VAL  51   1.531  -0.139 -16.379
  361    H    LYS  52           H        LYS  52  -0.044  -2.948 -17.373
  362    HA   LYS  52           HA       LYS  52   1.367  -4.724 -15.726
  363    HB2  LYS  52           2HB      LYS  52   0.686  -5.367 -17.969
  364    HB3  LYS  52           3HB      LYS  52   1.749  -4.154 -18.670
  365    HG2  LYS  52           2HG      LYS  52   3.694  -5.334 -17.785
  366    HG3  LYS  52           3HG      LYS  52   2.636  -6.548 -17.067
  367    HD2  LYS  52           2HD      LYS  52   2.726  -5.941 -20.015
  368    HD3  LYS  52           3HD      LYS  52   3.687  -7.205 -19.247
  369    HE2  LYS  52           2HE      LYS  52   1.616  -8.262 -18.450
  370    HE3  LYS  52           3HE      LYS  52   0.679  -7.013 -19.262
  371    HZ1  LYS  52           3HZ      LYS  52   1.587  -7.747 -21.375
  372    HZ2  LYS  52           1HZ      LYS  52   0.803  -9.024 -20.584
  373    HZ3  LYS  52           2HZ      LYS  52   2.493  -8.946 -20.590
  374    H    GLY  53           H        GLY  53   3.058  -4.286 -14.509
  375    HA2  GLY  53           2HA      GLY  53   5.529  -3.897 -14.732
  376    HA3  GLY  53           3HA      GLY  53   5.092  -2.402 -15.547
  377    H    ASP  54           H        ASP  54   2.761  -2.498 -13.424
  378    HA   ASP  54           HA       ASP  54   4.083  -0.720 -11.586
  379    HB2  ASP  54           2HB      ASP  54   1.253  -1.643 -11.961
  380    HB3  ASP  54           3HB      ASP  54   1.717  -0.835 -10.468
  381    H    VAL  55           H        VAL  55   4.872  -1.170  -9.637
  382    HA   VAL  55           HA       VAL  55   4.616  -3.865  -8.585
  383    HB   VAL  55           HB       VAL  55   6.138  -1.505  -7.452
  384   HG11  VAL  55          1HG1      VAL  55   6.203  -4.429  -6.708
  385   HG12  VAL  55          2HG1      VAL  55   5.552  -3.116  -5.728
  386   HG13  VAL  55          3HG1      VAL  55   7.281  -3.187  -6.070
  387   HG21  VAL  55          3HG2      VAL  55   8.140  -2.656  -8.299
  388   HG22  VAL  55          1HG2      VAL  55   7.048  -2.185  -9.601
  389   HG23  VAL  55          2HG2      VAL  55   7.109  -3.865  -9.067
  390    H    ALA  56           H        ALA  56   2.840  -4.329  -7.487
  391    HA   ALA  56           HA       ALA  56   1.691  -2.259  -5.731
  392    HB1  ALA  56           3HB      ALA  56  -0.434  -3.415  -5.942
  393    HB2  ALA  56           1HB      ALA  56   0.319  -4.660  -6.938
  394    HB3  ALA  56           2HB      ALA  56   0.198  -3.007  -7.538
  395    H    THR  57           H        THR  57   0.874  -2.942  -3.693
  396    HA   THR  57           HA       THR  57   1.906  -5.518  -2.738
  397    HB   THR  57           HB       THR  57   3.416  -3.617  -2.052
  398    HG1  THR  57           HG1      THR  57   3.318  -5.534  -0.826
  399   HG21  THR  57          3HG2      THR  57   1.715  -1.893  -1.720
  400   HG22  THR  57          1HG2      THR  57   2.649  -2.141  -0.245
  401   HG23  THR  57          2HG2      THR  57   1.026  -2.817  -0.385
  402    H    GLU  58           H        GLU  58   0.817  -6.232  -0.730
  403    HA   GLU  58           HA       GLU  58  -2.002  -5.405  -0.823
  404    HB2  GLU  58           2HB      GLU  58  -1.584  -7.735  -1.510
  405    HB3  GLU  58           3HB      GLU  58  -0.824  -8.050   0.046
  406    HG2  GLU  58           2HG      GLU  58  -2.976  -7.457   1.145
  407    HG3  GLU  58           3HG      GLU  58  -3.706  -7.345  -0.454
  408    H    LEU  59           H        LEU  59  -2.680  -4.286   0.868
  409    HA   LEU  59           HA       LEU  59  -1.501  -4.692   3.494
  410    HB2  LEU  59           2HB      LEU  59  -3.842  -3.003   2.594
  411    HB3  LEU  59           3HB      LEU  59  -3.232  -3.058   4.236
  412    HG   LEU  59           HG       LEU  59  -1.748  -2.030   1.816
  413   HD11  LEU  59          1HD1      LEU  59  -1.885   0.126   2.972
  414   HD12  LEU  59          2HD1      LEU  59  -2.872  -0.620   4.228
  415   HD13  LEU  59          3HD1      LEU  59  -3.479  -0.517   2.576
  416   HD21  LEU  59          3HD2      LEU  59  -0.214  -3.113   3.361
  417   HD22  LEU  59          1HD2      LEU  59  -0.884  -2.186   4.701
  418   HD23  LEU  59          2HD2      LEU  59  -0.011  -1.362   3.408
  419    HA   PRO  60           HA       PRO  60  -3.975  -8.135   4.588
  420    HB2  PRO  60           2HB      PRO  60  -4.447  -7.498   7.255
  421    HB3  PRO  60           3HB      PRO  60  -3.031  -8.347   6.630
  422    HG2  PRO  60           2HG      PRO  60  -3.365  -5.464   7.325
  423    HG3  PRO  60           3HG      PRO  60  -1.961  -6.523   7.555
  424    HD2  PRO  60           2HD      PRO  60  -2.037  -4.715   5.581
  425    HD3  PRO  60           3HD      PRO  60  -1.284  -6.308   5.343
  426    H    CYS  61           H        CYS  61  -5.216  -4.950   4.848
  427    HA   CYS  61           HA       CYS  61  -7.889  -5.843   5.568
  428    HB2  CYS  61           2HB      CYS  61  -8.472  -3.514   5.647
  429    HB3  CYS  61           3HB      CYS  61  -6.925  -3.712   6.461
  430    H    HIS  62           H        HIS  62  -6.390  -6.449   2.972
  431    HA   HIS  62           HA       HIS  62  -6.913  -6.871   0.817
  432    HB2  HIS  62           2HB      HIS  62  -9.691  -6.445   1.901
  433    HB3  HIS  62           3HB      HIS  62  -9.398  -6.865   0.215
  434    HD1  HIS  62           HD1      HIS  62  -8.434  -9.248  -0.269
  435    HD2  HIS  62           HD2      HIS  62  -9.390  -8.525   3.718
  436    HE1  HIS  62           HE1      HIS  62  -8.447 -11.498   0.847
  437    HE2  HIS  62           HE2      HIS  62  -9.103 -11.055   3.240
  438    H    HIS  63           H        HIS  63  -5.815  -4.521   1.006
  439    HA   HIS  63           HA       HIS  63  -7.123  -3.104  -1.179
  440    HB2  HIS  63           2HB      HIS  63  -6.389  -1.867   1.458
  441    HB3  HIS  63           3HB      HIS  63  -6.268  -0.908  -0.014
  442    HD2  HIS  63           HD2      HIS  63  -9.032  -1.825  -1.465
  443    HE1  HIS  63           HE1      HIS  63 -10.905  -0.475   2.084
  444    HE2  HIS  63           HE2      HIS  63 -11.155  -0.837  -0.391
  445    H    TYR  64           H        TYR  64  -5.666  -2.130  -2.619
  446    HA   TYR  64           HA       TYR  64  -2.894  -3.045  -2.175
  447    HB2  TYR  64           2HB      TYR  64  -4.524  -3.146  -4.716
  448    HB3  TYR  64           3HB      TYR  64  -2.805  -3.511  -4.623
  449    HD1  TYR  64           HD1      TYR  64  -6.177  -4.653  -3.663
  450    HD2  TYR  64           HD2      TYR  64  -2.033  -5.606  -3.751
  451    HE1  TYR  64           HE1      TYR  64  -6.711  -6.996  -3.150
  452    HE2  TYR  64           HE2      TYR  64  -2.555  -7.951  -3.239
  453    HH   TYR  64           HH       TYR  64  -4.372  -9.241  -2.160
  454    H    PHE  65           H        PHE  65  -1.307  -1.685  -2.550
  455    HA   PHE  65           HA       PHE  65  -1.745   0.708  -4.188
  456    HB2  PHE  65           2HB      PHE  65  -0.409   0.788  -1.464
  457    HB3  PHE  65           3HB      PHE  65  -0.683   2.152  -2.540
  458    HD1  PHE  65           HD2      PHE  65  -3.066   2.880  -2.981
  459    HD2  PHE  65           HD1      PHE  65  -2.017   0.129   0.093
  460    HE1  PHE  65           HE2      PHE  65  -5.219   3.307  -1.866
  461    HE2  PHE  65           HE1      PHE  65  -4.168   0.551   1.209
  462    HZ   PHE  65           HZ       PHE  65  -5.771   2.142   0.230
  463    H    HIS  66           H        HIS  66   0.552   1.817  -4.481
  464    HA   HIS  66           HA       HIS  66   2.424  -0.243  -5.250
  465    HB2  HIS  66           2HB      HIS  66   2.818   2.759  -5.136
  466    HB3  HIS  66           3HB      HIS  66   3.958   1.614  -5.820
  467    HD2  HIS  66           HD2      HIS  66   2.538   0.104  -8.069
  468    HE1  HIS  66           HE1      HIS  66   0.702   3.751  -9.215
  469    HE2  HIS  66           HE2      HIS  66   1.566   1.524 -10.008
  470    H    LYS  67           H        LYS  67   4.107  -0.983  -4.071
  471    HA   LYS  67           HA       LYS  67   4.151  -0.632  -1.317
  472    HB2  LYS  67           2HB      LYS  67   5.117  -2.567  -2.543
  473    HB3  LYS  67           3HB      LYS  67   6.471  -1.550  -3.015
  474    HG2  LYS  67           2HG      LYS  67   7.150  -1.295  -0.722
  475    HG3  LYS  67           3HG      LYS  67   5.716  -2.160  -0.164
  476    HD2  LYS  67           2HD      LYS  67   6.477  -4.168  -1.334
  477    HD3  LYS  67           3HD      LYS  67   7.913  -3.302  -1.885
  478    HE2  LYS  67           2HE      LYS  67   8.674  -3.038   0.389
  479    HE3  LYS  67           3HE      LYS  67   7.187  -3.755   1.007
  480    HZ1  LYS  67           3HZ      LYS  67   7.770  -5.842   0.022
  481    HZ2  LYS  67           1HZ      LYS  67   9.069  -5.314   0.969
  482    HZ3  LYS  67           2HZ      LYS  67   9.142  -5.180  -0.720
  483    HA   PRO  68           HA       PRO  68   8.054   2.386  -2.051
  484    HB2  PRO  68           2HB      PRO  68   7.374   3.976  -4.268
  485    HB3  PRO  68           3HB      PRO  68   8.686   2.800  -4.174
  486    HG2  PRO  68           2HG      PRO  68   5.946   2.502  -5.306
  487    HG3  PRO  68           3HG      PRO  68   7.477   1.794  -5.856
  488    HD2  PRO  68           2HD      PRO  68   5.676   0.323  -4.555
  489    HD3  PRO  68           3HD      PRO  68   7.414   0.112  -4.247
  490    H    CYS  69           H        CYS  69   4.852   3.448  -3.322
  491    HA   CYS  69           HA       CYS  69   5.127   5.950  -1.943
  492    HB2  CYS  69           2HB      CYS  69   2.824   6.421  -2.783
  493    HB3  CYS  69           3HB      CYS  69   3.987   6.031  -4.039
  494    H    VAL  70           H        VAL  70   3.487   2.908  -1.294
  495    HA   VAL  70           HA       VAL  70   1.877   3.967   0.809
  496    HB   VAL  70           HB       VAL  70   1.480   1.754  -0.398
  497   HG11  VAL  70          1HG1      VAL  70   2.479  -0.244   0.585
  498   HG12  VAL  70          2HG1      VAL  70   3.511   0.768   1.598
  499   HG13  VAL  70          3HG1      VAL  70   3.699   0.794  -0.156
  500   HG21  VAL  70          3HG2      VAL  70   0.466   0.715   1.586
  501   HG22  VAL  70          1HG2      VAL  70   0.148   2.448   1.494
  502   HG23  VAL  70          2HG2      VAL  70   1.364   1.832   2.612
  503    H    SER  71           H        SER  71   5.157   2.848   0.554
  504    HA   SER  71           HA       SER  71   5.791   2.567   3.272
  505    HB2  SER  71           2HB      SER  71   7.560   3.634   1.050
  506    HB3  SER  71           3HB      SER  71   8.114   2.999   2.598
  507    HG   SER  71           HG       SER  71   6.664   1.522   0.641
  508    H    ILE  72           H        ILE  72   5.907   5.380   1.126
  509    HA   ILE  72           HA       ILE  72   6.822   7.249   3.014
  510    HB   ILE  72           HB       ILE  72   5.036   7.833   0.648
  511   HG12  ILE  72          2HG1      ILE  72   8.059   7.679   0.710
  512   HG13  ILE  72          3HG1      ILE  72   7.018   6.426   0.042
  513   HG21  ILE  72          1HG2      ILE  72   7.082   9.517   2.088
  514   HG22  ILE  72          2HG2      ILE  72   5.331   9.707   2.174
  515   HG23  ILE  72          3HG2      ILE  72   6.177  10.004   0.656
  516   HD11  ILE  72          3HD1      ILE  72   7.233   9.260  -0.951
  517   HD12  ILE  72          1HD1      ILE  72   6.194   8.006  -1.625
  518   HD13  ILE  72          2HD1      ILE  72   7.948   7.833  -1.701
  519    H    TRP  73           H        TRP  73   3.572   6.239   2.065
  520    HA   TRP  73           HA       TRP  73   2.195   8.151   3.616
  521    HB2  TRP  73           2HB      TRP  73   1.056   7.018   1.812
  522    HB3  TRP  73           3HB      TRP  73   1.312   5.452   2.580
  523    HD1  TRP  73           HD1      TRP  73  -0.513   4.638   4.213
  524    HE1  TRP  73           HE1      TRP  73  -2.655   5.651   5.211
  525    HE3  TRP  73           HE3      TRP  73   0.056   9.456   2.604
  526    HZ2  TRP  73           HZ2      TRP  73  -3.943   8.166   5.291
  527    HZ3  TRP  73           HZ3      TRP  73  -1.676  11.105   3.183
  528    HH2  TRP  73           HH2      TRP  73  -3.634  10.471   4.499
  529    H    LEU  74           H        LEU  74   3.016   4.741   4.268
  530    HA   LEU  74           HA       LEU  74   1.703   4.656   6.770
  531    HB2  LEU  74           2HB      LEU  74   3.884   2.911   5.639
  532    HB3  LEU  74           3HB      LEU  74   3.033   2.572   7.134
  533    HG   LEU  74           HG       LEU  74   1.751   2.741   4.405
  534   HD11  LEU  74          1HD1      LEU  74   1.511   0.325   4.591
  535   HD12  LEU  74          2HD1      LEU  74   2.372   0.346   6.129
  536   HD13  LEU  74          3HD1      LEU  74   3.211   0.794   4.644
  537   HD21  LEU  74          3HD2      LEU  74   0.612   1.928   7.079
  538   HD22  LEU  74          1HD2      LEU  74  -0.225   1.827   5.530
  539   HD23  LEU  74          2HD2      LEU  74   0.224   3.400   6.188
  540    H    GLN  75           H        GLN  75   4.807   5.877   5.873
  541    HA   GLN  75           HA       GLN  75   5.896   5.781   8.538
  542    HB2  GLN  75           2HB      GLN  75   6.774   7.240   6.044
  543    HB3  GLN  75           3HB      GLN  75   7.641   7.325   7.572
  544    HG2  GLN  75           2HG      GLN  75   8.031   4.932   7.509
  545    HG3  GLN  75           3HG      GLN  75   7.107   4.808   6.012
  546   HE21  GLN  75          1HE2      GLN  75   8.823   3.978   4.868
  547   HE22  GLN  75          2HE2      GLN  75  10.190   4.932   4.406
  548    H    LYS  76           H        LYS  76   3.553   7.643   7.067
  549    HA   LYS  76           HA       LYS  76   4.017   9.860   8.948
  550    HB2  LYS  76           2HB      LYS  76   2.577   9.851   6.294
  551    HB3  LYS  76           3HB      LYS  76   2.548  11.205   7.416
  552    HG2  LYS  76           2HG      LYS  76   5.005  11.356   7.246
  553    HG3  LYS  76           3HG      LYS  76   4.976  10.060   6.052
  554    HD2  LYS  76           2HD      LYS  76   3.315  12.511   5.634
  555    HD3  LYS  76           3HD      LYS  76   5.040  12.553   5.284
  556    HE2  LYS  76           2HE      LYS  76   3.795  12.051   3.268
  557    HE3  LYS  76           3HE      LYS  76   4.757  10.655   3.744
  558    HZ1  LYS  76           3HZ      LYS  76   2.846   9.550   4.534
  559    HZ2  LYS  76           1HZ      LYS  76   2.425  10.172   3.014
  560    HZ3  LYS  76           2HZ      LYS  76   1.882  10.940   4.429
  561    H    SER  77           H        SER  77   1.679   7.580   7.668
  562    HA   SER  77           HA       SER  77   0.124   7.870  10.105
  563    HB2  SER  77           2HB      SER  77  -0.945   9.436   8.511
  564    HB3  SER  77           3HB      SER  77  -1.148   8.112   7.364
  565    HG   SER  77           HG       SER  77  -2.946   8.747   8.935
  566    H    GLY  78           H        GLY  78  -0.421   5.913  10.842
  567    HA2  GLY  78           2HA      GLY  78   0.140   3.609   9.147
  568    HA3  GLY  78           3HA      GLY  78  -0.139   3.587  10.882
  569    H    THR  79           H        THR  79  -2.119   4.886   8.223
  570    HA   THR  79           HA       THR  79  -4.122   2.832   8.818
  571    HB   THR  79           HB       THR  79  -5.822   4.785   8.257
  572    HG1  THR  79           HG1      THR  79  -3.499   6.090   9.145
  573   HG21  THR  79          3HG2      THR  79  -4.634   4.268  10.974
  574   HG22  THR  79          1HG2      THR  79  -5.979   3.414  10.216
  575   HG23  THR  79          2HG2      THR  79  -6.160   5.105  10.681
  576    H    CYS  80           H        CYS  80  -5.429   2.243   7.132
  577    HA   CYS  80           HA       CYS  80  -4.452   2.674   4.474
  578    HB2  CYS  80           2HB      CYS  80  -5.543   0.577   5.330
  579    HB3  CYS  80           3HB      CYS  80  -7.062   1.448   5.392
  580    HA   PRO  81           HA       PRO  81  -6.532   6.638   4.186
  581    HB2  PRO  81           2HB      PRO  81  -6.213   6.903   1.448
  582    HB3  PRO  81           3HB      PRO  81  -5.022   7.379   2.661
  583    HG2  PRO  81           2HG      PRO  81  -5.162   4.889   1.021
  584    HG3  PRO  81           3HG      PRO  81  -3.746   5.855   1.478
  585    HD2  PRO  81           2HD      PRO  81  -4.322   3.551   2.718
  586    HD3  PRO  81           3HD      PRO  81  -3.657   4.934   3.609
  587    H    VAL  82           H        VAL  82  -7.377   3.795   2.392
  588    HA   VAL  82           HA       VAL  82  -9.731   4.942   1.195
  589    HB   VAL  82           HB       VAL  82  -8.870   2.046   1.300
  590   HG11  VAL  82          1HG1      VAL  82 -10.333   1.775  -0.645
  591   HG12  VAL  82          2HG1      VAL  82 -10.839   3.458  -0.498
  592   HG13  VAL  82          3HG1      VAL  82 -11.233   2.304   0.776
  593   HG21  VAL  82          3HG2      VAL  82  -7.174   3.440   0.240
  594   HG22  VAL  82          1HG2      VAL  82  -8.395   4.130  -0.827
  595   HG23  VAL  82          2HG2      VAL  82  -7.984   2.419  -0.949
  596    H    CYS  83           H        CYS  83  -9.033   3.065   4.099
  597    HA   CYS  83           HA       CYS  83 -11.929   2.941   4.607
  598    HB2  CYS  83           2HB      CYS  83 -11.676   0.687   5.569
  599    HB3  CYS  83           3HB      CYS  83 -11.264   0.732   3.859
  600    H    ARG  84           H        ARG  84  -8.874   3.759   5.771
  601    HA   ARG  84           HA       ARG  84  -8.158   4.738   7.655
  602    HB2  ARG  84           2HB      ARG  84 -11.066   4.621   8.481
  603    HB3  ARG  84           3HB      ARG  84  -9.810   5.461   9.379
  604    HG2  ARG  84           2HG      ARG  84  -9.962   6.218   6.561
  605    HG3  ARG  84           3HG      ARG  84 -11.419   6.575   7.487
  606    HD2  ARG  84           2HD      ARG  84  -9.887   8.464   7.505
  607    HD3  ARG  84           3HD      ARG  84 -10.094   7.799   9.122
  608    HE   ARG  84           HE       ARG  84  -7.870   6.556   8.300
  609   HH11  ARG  84          1HH1      ARG  84  -8.825   9.923   8.177
  610   HH12  ARG  84          2HH1      ARG  84  -7.196  10.522   8.340
  611   HH21  ARG  84          1HH2      ARG  84  -5.719   7.337   8.536
  612   HH22  ARG  84          2HH2      ARG  84  -5.434   9.054   8.540
  613    H    CYS  85           H        CYS  85  -8.865   1.699   7.376
  614    HA   CYS  85           HA       CYS  85  -8.759   0.776  10.072
  615    HB2  CYS  85           2HB      CYS  85  -9.557  -0.630   8.175
  616    HB3  CYS  85           3HB      CYS  85  -7.918  -0.657   7.536
  617    HG   CYS  85           HG       CYS  85  -8.893  -3.060   8.955
  618    H    MET  86           H        MET  86  -6.956   0.051  11.224
  619    HA   MET  86           HA       MET  86  -4.588   1.602  10.703
  620    HB2  MET  86           2HB      MET  86  -5.465   1.411  12.977
  621    HB3  MET  86           3HB      MET  86  -5.249  -0.333  12.934
  622    HG2  MET  86           2HG      MET  86  -2.834  -0.039  12.776
  623    HG3  MET  86           3HG      MET  86  -3.041   1.711  12.782
  624    HE1  MET  86           3HE      MET  86  -4.048  -1.013  16.371
  625    HE2  MET  86           1HE      MET  86  -3.329  -1.602  14.873
  626    HE3  MET  86           2HE      MET  86  -4.984  -0.992  14.876
  627    H    PHE  87           H        PHE  87  -2.494   0.814  10.432
  628    HA   PHE  87           HA       PHE  87  -2.235  -2.063   9.877
  629    HB2  PHE  87           2HB      PHE  87  -2.128  -0.876   7.747
  630    HB3  PHE  87           3HB      PHE  87  -0.912   0.223   8.392
  631    HD1  PHE  87           HD1      PHE  87  -1.539  -3.343   7.587
  632    HD2  PHE  87           HD2      PHE  87   1.355  -0.289   8.228
  633    HE1  PHE  87           HE1      PHE  87   0.235  -4.864   6.816
  634    HE2  PHE  87           HE2      PHE  87   3.133  -1.804   7.459
  635    HZ   PHE  87           HZ       PHE  87   2.573  -4.095   6.753
  636    HA   PRO  88           HA       PRO  88  -1.139  -3.735  10.298
  637    HB2  PRO  88           2HB      PRO  88  -0.879  -5.186  12.581
  638    HB3  PRO  88           3HB      PRO  88   0.434  -4.980  11.417
  639    HG2  PRO  88           2HG      PRO  88  -0.056  -3.547  13.994
  640    HG3  PRO  88           3HG      PRO  88   1.467  -4.168  13.329
  641    HD2  PRO  88           2HD      PRO  88   0.766  -1.556  13.196
  642    HD3  PRO  88           3HD      PRO  88   1.749  -2.349  11.947
  643    HA   PRO  89           HA       PRO  89  -5.285  -3.224  11.614
  644    HB2  PRO  89           2HB      PRO  89  -5.549  -6.176  11.675
  645    HB3  PRO  89           3HB      PRO  89  -6.439  -4.986  10.719
  646    HG2  PRO  89           2HG      PRO  89  -4.605  -6.554   9.594
  647    HG3  PRO  89           3HG      PRO  89  -4.788  -4.860   9.101
  648    HD2  PRO  89           2HD      PRO  89  -2.728  -6.108  10.878
  649    HD3  PRO  89           3HD      PRO  89  -2.536  -4.853   9.636
  650    HA   PRO  90           HA       PRO  90  -5.547  -3.946  15.985
  651    HB2  PRO  90           2HB      PRO  90  -8.181  -3.530  16.376
  652    HB3  PRO  90           3HB      PRO  90  -7.072  -2.212  15.983
  653    HG2  PRO  90           2HG      PRO  90  -8.957  -3.700  14.198
  654    HG3  PRO  90           3HG      PRO  90  -8.610  -1.962  14.262
  655    HD2  PRO  90           2HD      PRO  90  -7.520  -3.651  12.411
  656    HD3  PRO  90           3HD      PRO  90  -6.727  -2.166  12.970
  657    H    LEU  91           H        LEU  91  -7.350  -5.093  17.508
  658    HA   LEU  91           HA       LEU  91  -7.395  -7.857  16.550
  659    HB2  LEU  91           2HB      LEU  91  -7.755  -6.726  19.329
  660    HB3  LEU  91           3HB      LEU  91  -7.779  -8.434  18.928
  661    HG   LEU  91           HG       LEU  91  -5.413  -6.588  18.596
  662   HD11  LEU  91          1HD1      LEU  91  -5.902  -7.055  20.933
  663   HD12  LEU  91          2HD1      LEU  91  -4.425  -7.869  20.418
  664   HD13  LEU  91          3HD1      LEU  91  -5.921  -8.787  20.594
  665   HD21  LEU  91          3HD2      LEU  91  -4.167  -8.650  18.107
  666   HD22  LEU  91          1HD2      LEU  91  -5.418  -8.329  16.907
  667   HD23  LEU  91          2HD2      LEU  91  -5.678  -9.559  18.143
  Start of MODEL   10
    1    H1   MET   1           1H       MET   1 -15.080  23.624  21.533
    2    H2   MET   1           2H       MET   1 -16.174  23.755  22.821
    3    H3   MET   1           3H       MET   1 -16.741  23.452  21.251
    4    HA   MET   1           HA       MET   1 -15.840  21.305  21.207
    5    HB2  MET   1           2HB      MET   1 -13.737  21.929  22.403
    6    HB3  MET   1           3HB      MET   1 -14.633  21.911  23.915
    7    HG2  MET   1           2HG      MET   1 -15.113  19.545  23.622
    8    HG3  MET   1           3HG      MET   1 -14.255  19.554  22.083
    9    HE1  MET   1           3HE      MET   1 -13.959  19.806  25.975
   10    HE2  MET   1           1HE      MET   1 -13.318  21.369  25.469
   11    HE3  MET   1           2HE      MET   1 -12.248  20.171  26.196
   12    H    GLY   2           H        GLY   2 -16.323  22.044  24.644
   13    HA2  GLY   2           2HA      GLY   2 -17.961  21.428  26.116
   14    HA3  GLY   2           3HA      GLY   2 -19.076  21.562  24.766
   15    H    HIS   3           H        HIS   3 -20.028  19.770  24.061
   16    HA   HIS   3           HA       HIS   3 -19.494  17.270  25.382
   17    HB2  HIS   3           2HB      HIS   3 -21.471  18.124  23.271
   18    HB3  HIS   3           3HB      HIS   3 -21.324  16.449  23.782
   19    HD1  HIS   3           HD1      HIS   3 -23.639  16.317  24.821
   20    HD2  HIS   3           HD2      HIS   3 -21.294  19.368  26.403
   21    HE1  HIS   3           HE1      HIS   3 -24.869  17.138  26.858
   22    HE2  HIS   3           HE2      HIS   3 -23.495  19.066  27.732
   23    H    HIS   4           H        HIS   4 -19.266  15.234  24.135
   24    HA   HIS   4           HA       HIS   4 -17.170  15.484  22.162
   25    HB2  HIS   4           2HB      HIS   4 -18.634  13.037  23.192
   26    HB3  HIS   4           3HB      HIS   4 -17.237  13.000  22.124
   27    HD1  HIS   4           HD1      HIS   4 -16.578  11.460  24.400
   28    HD2  HIS   4           HD2      HIS   4 -16.420  15.610  24.650
   29    HE1  HIS   4           HE1      HIS   4 -15.105  11.969  26.373
   30    HE2  HIS   4           HE2      HIS   4 -15.156  14.478  26.603
   31    H    HIS   5           H        HIS   5 -17.772  16.167  20.213
   32    HA   HIS   5           HA       HIS   5 -20.413  15.838  19.209
   33    HB2  HIS   5           2HB      HIS   5 -17.861  16.838  17.951
   34    HB3  HIS   5           3HB      HIS   5 -19.362  16.704  17.040
   35    HD1  HIS   5           HD1      HIS   5 -20.998  18.587  17.248
   36    HD2  HIS   5           HD2      HIS   5 -18.006  18.728  20.139
   37    HE1  HIS   5           HE1      HIS   5 -21.300  20.788  18.434
   38    HE2  HIS   5           HE2      HIS   5 -19.386  20.919  20.075
   39    H    HIS   6           H        HIS   6 -21.211  13.967  18.569
   40    HA   HIS   6           HA       HIS   6 -19.529  11.891  17.505
   41    HB2  HIS   6           2HB      HIS   6 -21.488  11.296  18.863
   42    HB3  HIS   6           3HB      HIS   6 -22.549  12.055  17.686
   43    HD1  HIS   6           HD1      HIS   6 -20.044   9.176  17.825
   44    HD2  HIS   6           HD2      HIS   6 -23.502  10.340  15.816
   45    HE1  HIS   6           HE1      HIS   6 -20.653   7.242  16.335
   46    HE2  HIS   6           HE2      HIS   6 -22.662   8.024  15.026
   47    H    HIS   7           H        HIS   7 -18.744  13.496  15.892
   48    HA   HIS   7           HA       HIS   7 -20.355  13.279  13.430
   49    HB2  HIS   7           2HB      HIS   7 -19.780  15.613  14.312
   50    HB3  HIS   7           3HB      HIS   7 -18.105  15.240  13.918
   51    HD1  HIS   7           HD1      HIS   7 -21.481  15.518  12.205
   52    HD2  HIS   7           HD2      HIS   7 -17.418  15.793  11.340
   53    HE1  HIS   7           HE1      HIS   7 -21.342  16.307   9.816
   54    HE2  HIS   7           HE2      HIS   7 -18.883  16.652   9.384
   55    H    HIS   8           H        HIS   8 -18.056  11.829  15.077
   56    HA   HIS   8           HA       HIS   8 -16.551  10.989  12.695
   57    HB2  HIS   8           2HB      HIS   8 -15.512  11.351  15.521
   58    HB3  HIS   8           3HB      HIS   8 -14.619  10.538  14.241
   59    HD1  HIS   8           HD1      HIS   8 -13.163  11.983  12.828
   60    HD2  HIS   8           HD2      HIS   8 -16.003  14.181  14.918
   61    HE1  HIS   8           HE1      HIS   8 -12.601  14.394  12.402
   62    HE2  HIS   8           HE2      HIS   8 -14.492  15.683  13.454
   63    H    SER   9           H        SER   9 -16.078   8.766  12.595
   64    HA   SER   9           HA       SER   9 -17.509   7.119  14.577
   65    HB2  SER   9           2HB      SER   9 -18.580   7.190  12.303
   66    HB3  SER   9           3HB      SER   9 -17.118   6.453  11.649
   67    HG   SER   9           HG       SER   9 -18.786   5.334  13.672
   68    H    HIS  10           H        HIS  10 -14.611   7.690  12.788
   69    HA   HIS  10           HA       HIS  10 -13.309   5.489  14.243
   70    HB2  HIS  10           2HB      HIS  10 -12.999   6.174  11.318
   71    HB3  HIS  10           3HB      HIS  10 -11.803   5.233  12.200
   72    HD1  HIS  10           HD1      HIS  10 -12.331   2.800  12.682
   73    HD2  HIS  10           HD2      HIS  10 -15.456   4.834  10.836
   74    HE1  HIS  10           HE1      HIS  10 -13.968   1.029  11.962
   75    HE2  HIS  10           HE2      HIS  10 -15.730   2.266  10.655
   76    H    MET  11           H        MET  11 -11.229   5.913  14.955
   77    HA   MET  11           HA       MET  11 -10.370   8.682  14.898
   78    HB2  MET  11           2HB      MET  11  -9.188   6.224  16.208
   79    HB3  MET  11           3HB      MET  11  -8.485   7.830  16.330
   80    HG2  MET  11           2HG      MET  11 -10.552   8.629  17.393
   81    HG3  MET  11           3HG      MET  11 -11.200   6.993  17.317
   82    HE1  MET  11           3HE      MET  11  -7.508   8.166  19.837
   83    HE2  MET  11           1HE      MET  11  -8.424   9.311  18.859
   84    HE3  MET  11           2HE      MET  11  -7.473   8.048  18.078
   85    H    VAL  12           H        VAL  12  -9.130   9.461  13.326
   86    HA   VAL  12           HA       VAL  12  -7.937   7.567  11.460
   87    HB   VAL  12           HB       VAL  12  -7.632   9.440   9.949
   88   HG11  VAL  12          1HG1      VAL  12  -9.791   8.338   9.947
   89   HG12  VAL  12          2HG1      VAL  12  -9.982  10.059   9.609
   90   HG13  VAL  12          3HG1      VAL  12 -10.370   9.425  11.208
   91   HG21  VAL  12          3HG2      VAL  12  -7.069  11.173  11.567
   92   HG22  VAL  12          1HG2      VAL  12  -8.727  11.164  12.168
   93   HG23  VAL  12          2HG2      VAL  12  -8.388  11.695  10.520
   94    H    ALA  13           H        ALA  13  -6.948   9.565  14.041
   95    HA   ALA  13           HA       ALA  13  -4.234   9.883  13.038
   96    HB1  ALA  13           3HB      ALA  13  -5.278  11.736  14.248
   97    HB2  ALA  13           1HB      ALA  13  -3.832  11.156  15.075
   98    HB3  ALA  13           2HB      ALA  13  -5.429  10.717  15.679
   99    H    ASN  14           H        ASN  14  -3.071   8.072  13.078
  100    HA   ASN  14           HA       ASN  14  -2.785   6.716  15.662
  101    HB2  ASN  14           2HB      ASN  14  -2.796   4.538  14.652
  102    HB3  ASN  14           3HB      ASN  14  -4.252   5.367  14.121
  103   HD21  ASN  14          1HD2      ASN  14  -2.357   3.208  13.059
  104   HD22  ASN  14          2HD2      ASN  14  -2.143   3.642  11.402
  105    HA   PRO  15           HA       PRO  15   1.601   6.936  14.998
  106    HB2  PRO  15           2HB      PRO  15   2.407   4.366  15.591
  107    HB3  PRO  15           3HB      PRO  15   2.054   5.604  16.802
  108    HG2  PRO  15           2HG      PRO  15   0.315   3.389  15.792
  109    HG3  PRO  15           3HG      PRO  15   0.539   3.969  17.455
  110    HD2  PRO  15           2HD      PRO  15  -1.620   4.652  16.030
  111    HD3  PRO  15           3HD      PRO  15  -0.841   5.809  17.131
  112    HA   PRO  16           HA       PRO  16   2.417   5.354  10.919
  113    HB2  PRO  16           2HB      PRO  16   5.103   5.693  10.848
  114    HB3  PRO  16           3HB      PRO  16   3.971   7.045  10.736
  115    HG2  PRO  16           2HG      PRO  16   5.512   6.058  13.099
  116    HG3  PRO  16           3HG      PRO  16   5.231   7.724  12.564
  117    HD2  PRO  16           2HD      PRO  16   3.821   6.560  14.573
  118    HD3  PRO  16           3HD      PRO  16   3.135   7.803  13.507
  119    H    ALA  17           H        ALA  17   3.595   3.641   9.829
  120    HA   ALA  17           HA       ALA  17   4.000   1.350  11.582
  121    HB1  ALA  17           3HB      ALA  17   3.989   0.029   9.529
  122    HB2  ALA  17           1HB      ALA  17   3.937   1.507   8.569
  123    HB3  ALA  17           2HB      ALA  17   2.576   1.082   9.607
  124    H    SER  18           H        SER  18   5.914   0.210  11.741
  125    HA   SER  18           HA       SER  18   8.308   1.685  11.315
  126    HB2  SER  18           2HB      SER  18   7.973   0.075  13.199
  127    HB3  SER  18           3HB      SER  18   8.015  -1.245  12.031
  128    HG   SER  18           HG       SER  18  10.067   0.166  13.143
  129    H    LYS  19           H        LYS  19  10.031   1.210   9.909
  130    HA   LYS  19           HA       LYS  19   9.357   0.771   7.265
  131    HB2  LYS  19           2HB      LYS  19  11.428   1.894   7.994
  132    HB3  LYS  19           3HB      LYS  19  12.063   0.350   8.548
  133    HG2  LYS  19           2HG      LYS  19  11.794  -0.457   6.160
  134    HG3  LYS  19           3HG      LYS  19  11.530   1.233   5.729
  135    HD2  LYS  19           2HD      LYS  19  13.971   0.146   7.130
  136    HD3  LYS  19           3HD      LYS  19  13.870   0.527   5.411
  137    HE2  LYS  19           2HE      LYS  19  13.458   2.869   5.943
  138    HE3  LYS  19           3HE      LYS  19  13.498   2.497   7.667
  139    HZ1  LYS  19           3HZ      LYS  19  15.802   1.791   7.414
  140    HZ2  LYS  19           1HZ      LYS  19  15.606   3.406   6.931
  141    HZ3  LYS  19           2HZ      LYS  19  15.761   2.183   5.768
  142    H    GLU  20           H        GLU  20  10.511  -1.510   9.670
  143    HA   GLU  20           HA       GLU  20  11.128  -3.654   7.997
  144    HB2  GLU  20           2HB      GLU  20  10.190  -3.597  10.862
  145    HB3  GLU  20           3HB      GLU  20  10.784  -5.043  10.055
  146    HG2  GLU  20           2HG      GLU  20  12.948  -4.147   9.820
  147    HG3  GLU  20           3HG      GLU  20  12.402  -2.526  10.242
  148    H    SER  21           H        SER  21   8.047  -2.805   9.554
  149    HA   SER  21           HA       SER  21   6.660  -5.099   8.605
  150    HB2  SER  21           2HB      SER  21   5.550  -2.421   9.476
  151    HB3  SER  21           3HB      SER  21   4.635  -3.920   9.319
  152    HG   SER  21           HG       SER  21   5.251  -4.395  11.256
  153    H    ILE  22           H        ILE  22   7.250  -1.890   7.350
  154    HA   ILE  22           HA       ILE  22   5.302  -2.006   5.264
  155    HB   ILE  22           HB       ILE  22   7.747  -0.244   5.492
  156   HG12  ILE  22          2HG1      ILE  22   4.882   0.313   6.283
  157   HG13  ILE  22          3HG1      ILE  22   6.174  -0.071   7.415
  158   HG21  ILE  22          1HG2      ILE  22   6.568   1.231   3.946
  159   HG22  ILE  22          2HG2      ILE  22   5.248   0.067   3.834
  160   HG23  ILE  22          3HG2      ILE  22   6.849  -0.353   3.225
  161   HD11  ILE  22          3HD1      ILE  22   5.742   2.316   7.339
  162   HD12  ILE  22          1HD1      ILE  22   6.065   2.330   5.605
  163   HD13  ILE  22          2HD1      ILE  22   7.361   1.951   6.740
  164    H    ASP  23           H        ASP  23   8.794  -2.587   5.437
  165    HA   ASP  23           HA       ASP  23   9.083  -3.046   2.638
  166    HB2  ASP  23           2HB      ASP  23  10.934  -2.371   4.214
  167    HB3  ASP  23           3HB      ASP  23  10.917  -4.019   4.833
  168    H    ALA  24           H        ALA  24   8.017  -4.953   5.281
  169    HA   ALA  24           HA       ALA  24   8.548  -7.501   4.043
  170    HB1  ALA  24           3HB      ALA  24   7.386  -8.456   5.949
  171    HB2  ALA  24           1HB      ALA  24   6.847  -6.851   6.444
  172    HB3  ALA  24           2HB      ALA  24   8.563  -7.255   6.479
  173    H    LEU  25           H        LEU  25   6.299  -5.140   3.458
  174    HA   LEU  25           HA       LEU  25   3.878  -6.474   3.145
  175    HB2  LEU  25           2HB      LEU  25   5.116  -4.123   1.766
  176    HB3  LEU  25           3HB      LEU  25   3.589  -4.762   1.192
  177    HG   LEU  25           HG       LEU  25   4.079  -3.794   4.009
  178   HD11  LEU  25          1HD1      LEU  25   2.689  -2.430   1.702
  179   HD12  LEU  25          2HD1      LEU  25   4.233  -1.954   2.408
  180   HD13  LEU  25          3HD1      LEU  25   2.755  -1.843   3.363
  181   HD21  LEU  25          3HD2      LEU  25   1.542  -4.533   2.553
  182   HD22  LEU  25          1HD2      LEU  25   1.648  -3.901   4.196
  183   HD23  LEU  25          2HD2      LEU  25   2.323  -5.485   3.815
  184    HA   PRO  26           HA       PRO  26   4.570  -9.472  -0.044
  185    HB2  PRO  26           2HB      PRO  26   1.970  -9.478  -1.008
  186    HB3  PRO  26           3HB      PRO  26   2.544 -10.435   0.359
  187    HG2  PRO  26           2HG      PRO  26   1.081  -7.832   0.345
  188    HG3  PRO  26           3HG      PRO  26   0.899  -9.218   1.438
  189    HD2  PRO  26           2HD      PRO  26   2.217  -7.010   2.191
  190    HD3  PRO  26           3HD      PRO  26   2.756  -8.625   2.697
  191    H    GLU  27           H        GLU  27   5.321  -9.240  -2.065
  192    HA   GLU  27           HA       GLU  27   4.751  -6.702  -3.405
  193    HB2  GLU  27           2HB      GLU  27   6.941  -8.682  -4.028
  194    HB3  GLU  27           3HB      GLU  27   6.813  -7.023  -4.600
  195    HG2  GLU  27           2HG      GLU  27   6.970  -6.289  -2.212
  196    HG3  GLU  27           3HG      GLU  27   7.345  -7.960  -1.799
  197    H    ILE  28           H        ILE  28   3.190  -6.778  -4.837
  198    HA   ILE  28           HA       ILE  28   2.949  -9.156  -6.560
  199    HB   ILE  28           HB       ILE  28   0.828  -7.088  -5.938
  200   HG12  ILE  28          2HG1      ILE  28   1.056  -9.941  -4.951
  201   HG13  ILE  28          3HG1      ILE  28   1.412  -8.513  -3.983
  202   HG21  ILE  28          1HG2      ILE  28  -0.701  -8.648  -7.051
  203   HG22  ILE  28          2HG2      ILE  28   0.657  -9.707  -7.426
  204   HG23  ILE  28          3HG2      ILE  28   0.570  -8.098  -8.143
  205   HD11  ILE  28          3HD1      ILE  28  -1.266  -9.229  -5.160
  206   HD12  ILE  28          1HD1      ILE  28  -0.911  -7.792  -4.202
  207   HD13  ILE  28          2HD1      ILE  28  -0.790  -9.391  -3.468
  208    H    LEU  29           H        LEU  29   3.984  -8.758  -8.424
  209    HA   LEU  29           HA       LEU  29   4.370  -6.171  -9.519
  210    HB2  LEU  29           2HB      LEU  29   5.826  -8.084 -10.049
  211    HB3  LEU  29           3HB      LEU  29   4.492  -8.874 -10.869
  212    HG   LEU  29           HG       LEU  29   4.445  -6.971 -12.492
  213   HD11  LEU  29          1HD1      LEU  29   7.012  -6.205 -11.112
  214   HD12  LEU  29          2HD1      LEU  29   5.509  -5.282 -11.101
  215   HD13  LEU  29          3HD1      LEU  29   6.396  -5.506 -12.610
  216   HD21  LEU  29          3HD2      LEU  29   7.036  -8.496 -12.269
  217   HD22  LEU  29          1HD2      LEU  29   6.433  -7.697 -13.721
  218   HD23  LEU  29          2HD2      LEU  29   5.553  -9.064 -13.040
  219    H    VAL  30           H        VAL  30   2.985  -4.932 -10.608
  220    HA   VAL  30           HA       VAL  30   0.323  -5.859 -11.100
  221    HB   VAL  30           HB       VAL  30   1.587  -3.250 -11.958
  222   HG11  VAL  30          1HG1      VAL  30  -1.309  -4.023 -11.625
  223   HG12  VAL  30          2HG1      VAL  30  -0.470  -3.795 -13.160
  224   HG13  VAL  30          3HG1      VAL  30  -0.704  -2.428 -12.072
  225   HG21  VAL  30          3HG2      VAL  30   1.746  -3.549  -9.543
  226   HG22  VAL  30          1HG2      VAL  30   0.020  -3.909  -9.464
  227   HG23  VAL  30          2HG2      VAL  30   0.566  -2.302  -9.944
  228    H    THR  31           H        THR  31  -0.166  -7.100 -12.746
  229    HA   THR  31           HA       THR  31   1.057  -6.506 -15.359
  230    HB   THR  31           HB       THR  31   0.458  -8.836 -16.004
  231    HG1  THR  31           HG1      THR  31  -0.334  -8.951 -13.267
  232   HG21  THR  31          3HG2      THR  31   2.224  -8.611 -13.562
  233   HG22  THR  31          1HG2      THR  31   2.719  -8.335 -15.231
  234   HG23  THR  31          2HG2      THR  31   2.227  -9.947 -14.715
  235    H    GLU  32           H        GLU  32  -0.262  -5.915 -16.983
  236    HA   GLU  32           HA       GLU  32  -2.910  -5.130 -16.404
  237    HB2  GLU  32           2HB      GLU  32  -1.549  -5.397 -19.087
  238    HB3  GLU  32           3HB      GLU  32  -3.035  -4.507 -18.773
  239    HG2  GLU  32           2HG      GLU  32  -1.785  -3.043 -17.232
  240    HG3  GLU  32           3HG      GLU  32  -0.305  -3.893 -17.674
  241    H    ASP  33           H        ASP  33  -1.603  -8.105 -17.359
  242    HA   ASP  33           HA       ASP  33  -3.696  -9.254 -18.837
  243    HB2  ASP  33           2HB      ASP  33  -1.879 -10.656 -16.860
  244    HB3  ASP  33           3HB      ASP  33  -2.732 -11.390 -18.215
  245    H    HIS  34           H        HIS  34  -3.249  -8.632 -15.458
  246    HA   HIS  34           HA       HIS  34  -5.619 -10.153 -14.703
  247    HB2  HIS  34           2HB      HIS  34  -3.675 -10.328 -13.252
  248    HB3  HIS  34           3HB      HIS  34  -3.604  -8.581 -13.078
  249    HD1  HIS  34           HD1      HIS  34  -6.545 -10.972 -12.570
  250    HD2  HIS  34           HD2      HIS  34  -4.307  -8.119 -10.527
  251    HE1  HIS  34           HE1      HIS  34  -7.645 -10.725 -10.321
  252    HE2  HIS  34           HE2      HIS  34  -6.359  -8.899  -9.160
  253    H    GLY  35           H        GLY  35  -4.745  -7.026 -15.659
  254    HA2  GLY  35           2HA      GLY  35  -5.980  -5.100 -15.903
  255    HA3  GLY  35           3HA      GLY  35  -7.375  -5.978 -15.289
  256    H    ALA  36           H        ALA  36  -8.146  -5.315 -13.420
  257    HA   ALA  36           HA       ALA  36  -6.700  -3.478 -11.758
  258    HB1  ALA  36           3HB      ALA  36  -8.675  -3.551 -10.321
  259    HB2  ALA  36           1HB      ALA  36  -9.310  -4.911 -11.248
  260    HB3  ALA  36           2HB      ALA  36  -9.137  -3.329 -12.009
  261    H    VAL  37           H        VAL  37  -5.508  -3.927  -9.985
  262    HA   VAL  37           HA       VAL  37  -4.590  -6.536  -9.494
  263    HB   VAL  37           HB       VAL  37  -4.446  -4.217  -7.559
  264   HG11  VAL  37          1HG1      VAL  37  -2.388  -5.299  -6.798
  265   HG12  VAL  37          2HG1      VAL  37  -2.652  -6.614  -7.944
  266   HG13  VAL  37          3HG1      VAL  37  -3.783  -6.362  -6.613
  267   HG21  VAL  37          3HG2      VAL  37  -2.313  -3.649  -8.633
  268   HG22  VAL  37          1HG2      VAL  37  -3.670  -3.493  -9.749
  269   HG23  VAL  37          2HG2      VAL  37  -2.601  -4.891  -9.852
  270    H    GLY  38           H        GLY  38  -7.170  -4.650  -8.102
  271    HA2  GLY  38           2HA      GLY  38  -8.418  -7.021  -7.088
  272    HA3  GLY  38           3HA      GLY  38  -7.835  -5.965  -5.806
  273    H    GLN  39           H        GLN  39  -9.336  -4.655  -5.040
  274    HA   GLN  39           HA       GLN  39 -11.786  -4.101  -6.306
  275    HB2  GLN  39           2HB      GLN  39 -11.439  -3.928  -3.863
  276    HB3  GLN  39           3HB      GLN  39 -10.391  -2.539  -4.119
  277    HG2  GLN  39           2HG      GLN  39 -12.330  -1.380  -5.181
  278    HG3  GLN  39           3HG      GLN  39 -13.334  -2.734  -4.676
  279   HE21  GLN  39          1HE2      GLN  39 -11.620   0.100  -3.685
  280   HE22  GLN  39          2HE2      GLN  39 -12.237   0.146  -2.061
  281    H    GLU  40           H        GLU  40  -8.947  -2.053  -5.791
  282    HA   GLU  40           HA       GLU  40 -10.036  -0.064  -7.612
  283    HB2  GLU  40           2HB      GLU  40  -8.508   0.039  -5.241
  284    HB3  GLU  40           3HB      GLU  40  -7.480   0.655  -6.528
  285    HG2  GLU  40           2HG      GLU  40  -8.764   2.414  -5.383
  286    HG3  GLU  40           3HG      GLU  40  -9.110   2.317  -7.109
  287    H    MET  41           H        MET  41  -9.147   0.515  -9.505
  288    HA   MET  41           HA       MET  41  -6.693  -0.883 -10.357
  289    HB2  MET  41           2HB      MET  41  -7.414  -0.528 -12.664
  290    HB3  MET  41           3HB      MET  41  -8.635  -1.414 -11.762
  291    HG2  MET  41           2HG      MET  41 -10.001   0.546 -11.572
  292    HG3  MET  41           3HG      MET  41  -8.740   1.546 -12.289
  293    HE1  MET  41           3HE      MET  41 -11.344  -1.347 -12.935
  294    HE2  MET  41           1HE      MET  41  -9.807  -2.081 -13.398
  295    HE3  MET  41           2HE      MET  41 -11.021  -1.726 -14.626
  296    H    CYS  42           H        CYS  42  -7.571   1.840  -8.998
  297    HA   CYS  42           HA       CYS  42  -5.534   3.411 -10.423
  298    HB2  CYS  42           2HB      CYS  42  -6.812   5.456  -9.756
  299    HB3  CYS  42           3HB      CYS  42  -7.668   4.438 -10.908
  300    HG   CYS  42           HG       CYS  42  -9.821   4.270  -9.532
  301    H    CYS  43           H        CYS  43  -4.208   4.720  -9.108
  302    HA   CYS  43           HA       CYS  43  -4.204   3.921  -6.270
  303    HB2  CYS  43           2HB      CYS  43  -2.213   3.170  -7.462
  304    HB3  CYS  43           3HB      CYS  43  -1.925   4.795  -8.063
  305    HA   PRO  44           HA       PRO  44  -5.680   8.199  -5.932
  306    HB2  PRO  44           2HB      PRO  44  -5.764   8.027  -3.146
  307    HB3  PRO  44           3HB      PRO  44  -7.098   7.661  -4.245
  308    HG2  PRO  44           2HG      PRO  44  -5.169   5.814  -2.915
  309    HG3  PRO  44           3HG      PRO  44  -6.898   5.593  -3.241
  310    HD2  PRO  44           2HD      PRO  44  -5.039   4.377  -4.732
  311    HD3  PRO  44           3HD      PRO  44  -6.530   5.009  -5.462
  312    H    ILE  45           H        ILE  45  -3.048   6.711  -4.146
  313    HA   ILE  45           HA       ILE  45  -1.929   9.058  -3.060
  314    HB   ILE  45           HB       ILE  45  -0.502   6.488  -3.777
  315   HG12  ILE  45          2HG1      ILE  45  -1.833   7.293  -1.178
  316   HG13  ILE  45          3HG1      ILE  45  -2.476   6.122  -2.324
  317   HG21  ILE  45          1HG2      ILE  45   1.079   7.143  -2.021
  318   HG22  ILE  45          2HG2      ILE  45   0.203   8.656  -1.800
  319   HG23  ILE  45          3HG2      ILE  45   1.026   8.329  -3.325
  320   HD11  ILE  45          3HD1      ILE  45   0.102   5.859  -0.794
  321   HD12  ILE  45          1HD1      ILE  45  -0.541   4.687  -1.945
  322   HD13  ILE  45          2HD1      ILE  45  -1.411   5.021  -0.447
  323    H    CYS  46           H        CYS  46  -1.584   7.476  -6.169
  324    HA   CYS  46           HA       CYS  46   0.567   9.311  -6.938
  325    HB2  CYS  46           2HB      CYS  46  -0.527   6.853  -8.323
  326    HB3  CYS  46           3HB      CYS  46   0.774   7.855  -8.952
  327    H    CYS  47           H        CYS  47  -2.786   8.871  -7.275
  328    HA   CYS  47           HA       CYS  47  -4.416   9.800  -8.543
  329    HB2  CYS  47           2HB      CYS  47  -2.246  11.724  -9.416
  330    HB3  CYS  47           3HB      CYS  47  -3.973  11.940  -9.684
  331    HG   CYS  47           HG       CYS  47  -4.667  12.455  -7.142
  332    H    SER  48           H        SER  48  -2.534   7.732  -9.510
  333    HA   SER  48           HA       SER  48  -3.102   7.948 -12.378
  334    HB2  SER  48           2HB      SER  48  -0.685   8.423 -11.931
  335    HB3  SER  48           3HB      SER  48  -0.540   6.826 -11.203
  336    HG   SER  48           HG       SER  48  -0.063   7.280 -13.624
  337    H    GLU  49           H        GLU  49  -2.600   5.601 -13.340
  338    HA   GLU  49           HA       GLU  49  -4.410   3.882 -11.802
  339    HB2  GLU  49           2HB      GLU  49  -4.783   2.754 -13.984
  340    HB3  GLU  49           3HB      GLU  49  -5.188   4.466 -14.006
  341    HG2  GLU  49           2HG      GLU  49  -2.840   4.820 -14.954
  342    HG3  GLU  49           3HG      GLU  49  -2.837   3.081 -15.244
  343    H    TYR  50           H        TYR  50  -4.024   1.439 -12.680
  344    HA   TYR  50           HA       TYR  50  -1.281   0.782 -11.887
  345    HB2  TYR  50           2HB      TYR  50  -3.854  -0.779 -11.848
  346    HB3  TYR  50           3HB      TYR  50  -2.293  -1.578 -11.693
  347    HD1  TYR  50           HD2      TYR  50  -4.550   0.897 -10.121
  348    HD2  TYR  50           HD1      TYR  50  -1.105  -1.547  -9.640
  349    HE1  TYR  50           HE2      TYR  50  -4.537   1.397  -7.717
  350    HE2  TYR  50           HE1      TYR  50  -1.085  -1.051  -7.232
  351    HH   TYR  50           HH       TYR  50  -3.676   0.356  -5.617
  352    H    VAL  51           H        VAL  51   0.118   0.237 -13.388
  353    HA   VAL  51           HA       VAL  51  -0.855  -1.025 -15.859
  354    HB   VAL  51           HB       VAL  51   0.948   0.169 -17.093
  355   HG11  VAL  51          1HG1      VAL  51  -0.201   2.327 -17.208
  356   HG12  VAL  51          2HG1      VAL  51  -1.052   1.951 -15.710
  357   HG13  VAL  51          3HG1      VAL  51  -1.347   0.986 -17.157
  358   HG21  VAL  51          3HG2      VAL  51   1.209   1.746 -14.534
  359   HG22  VAL  51          1HG2      VAL  51   1.971   2.153 -16.071
  360   HG23  VAL  51          2HG2      VAL  51   2.427   0.674 -15.227
  361    H    LYS  52           H        LYS  52   1.076  -2.017 -17.090
  362    HA   LYS  52           HA       LYS  52   2.142  -3.995 -15.313
  363    HB2  LYS  52           2HB      LYS  52   1.343  -4.654 -17.501
  364    HB3  LYS  52           3HB      LYS  52   2.476  -3.566 -18.287
  365    HG2  LYS  52           2HG      LYS  52   4.337  -4.907 -17.594
  366    HG3  LYS  52           3HG      LYS  52   3.289  -5.929 -16.608
  367    HD2  LYS  52           2HD      LYS  52   2.983  -5.623 -19.591
  368    HD3  LYS  52           3HD      LYS  52   3.940  -6.899 -18.837
  369    HE2  LYS  52           2HE      LYS  52   2.028  -7.817 -17.769
  370    HE3  LYS  52           3HE      LYS  52   1.043  -6.417 -18.184
  371    HZ1  LYS  52           3HZ      LYS  52   0.995  -7.049 -20.436
  372    HZ2  LYS  52           1HZ      LYS  52   0.689  -8.471 -19.560
  373    HZ3  LYS  52           2HZ      LYS  52   2.223  -8.205 -20.239
  374    H    GLY  53           H        GLY  53   3.850  -3.587 -14.092
  375    HA2  GLY  53           2HA      GLY  53   6.389  -3.490 -14.594
  376    HA3  GLY  53           3HA      GLY  53   5.991  -1.873 -15.159
  377    H    ASP  54           H        ASP  54   3.915  -1.625 -13.019
  378    HA   ASP  54           HA       ASP  54   5.731  -0.657 -10.967
  379    HB2  ASP  54           2HB      ASP  54   3.641   0.577 -11.933
  380    HB3  ASP  54           3HB      ASP  54   2.733  -0.445 -10.828
  381    H    VAL  55           H        VAL  55   5.206  -1.068  -8.656
  382    HA   VAL  55           HA       VAL  55   4.508  -3.911  -8.320
  383    HB   VAL  55           HB       VAL  55   6.241  -2.179  -6.544
  384   HG11  VAL  55          1HG1      VAL  55   6.830  -4.284  -5.432
  385   HG12  VAL  55          2HG1      VAL  55   5.672  -5.141  -6.448
  386   HG13  VAL  55          3HG1      VAL  55   5.109  -3.930  -5.294
  387   HG21  VAL  55          3HG2      VAL  55   8.112  -3.526  -7.385
  388   HG22  VAL  55          1HG2      VAL  55   7.325  -2.616  -8.675
  389   HG23  VAL  55          2HG2      VAL  55   7.015  -4.343  -8.499
  390    H    ALA  56           H        ALA  56   2.763  -4.409  -7.180
  391    HA   ALA  56           HA       ALA  56   1.553  -2.322  -5.488
  392    HB1  ALA  56           3HB      ALA  56   0.143  -3.022  -7.367
  393    HB2  ALA  56           1HB      ALA  56  -0.575  -3.475  -5.821
  394    HB3  ALA  56           2HB      ALA  56   0.230  -4.694  -6.811
  395    H    THR  57           H        THR  57   0.210  -3.287  -3.669
  396    HA   THR  57           HA       THR  57   1.212  -5.799  -2.610
  397    HB   THR  57           HB       THR  57   2.779  -4.022  -1.780
  398    HG1  THR  57           HG1      THR  57   2.515  -5.864  -0.527
  399   HG21  THR  57          3HG2      THR  57   1.207  -2.163  -1.605
  400   HG22  THR  57          1HG2      THR  57   1.979  -2.473  -0.050
  401   HG23  THR  57          2HG2      THR  57   0.325  -3.013  -0.337
  402    H    GLU  58           H        GLU  58  -0.097  -6.556  -0.805
  403    HA   GLU  58           HA       GLU  58  -2.799  -5.399  -0.874
  404    HB2  GLU  58           2HB      GLU  58  -2.641  -7.704  -1.771
  405    HB3  GLU  58           3HB      GLU  58  -1.983  -8.244  -0.232
  406    HG2  GLU  58           2HG      GLU  58  -4.088  -7.505   0.861
  407    HG3  GLU  58           3HG      GLU  58  -4.737  -7.137  -0.736
  408    H    LEU  59           H        LEU  59  -3.261  -4.284   0.895
  409    HA   LEU  59           HA       LEU  59  -2.004  -4.779   3.429
  410    HB2  LEU  59           2HB      LEU  59  -4.422  -3.106   2.701
  411    HB3  LEU  59           3HB      LEU  59  -3.662  -3.124   4.282
  412    HG   LEU  59           HG       LEU  59  -2.389  -2.174   1.715
  413   HD11  LEU  59          1HD1      LEU  59  -2.435   0.025   2.806
  414   HD12  LEU  59          2HD1      LEU  59  -3.329  -0.675   4.156
  415   HD13  LEU  59          3HD1      LEU  59  -4.054  -0.626   2.549
  416   HD21  LEU  59          3HD2      LEU  59  -1.296  -2.242   4.527
  417   HD22  LEU  59          1HD2      LEU  59  -0.525  -1.465   3.143
  418   HD23  LEU  59          2HD2      LEU  59  -0.739  -3.216   3.166
  419    HA   PRO  60           HA       PRO  60  -4.335  -8.021   5.178
  420    HB2  PRO  60           2HB      PRO  60  -5.163  -6.183   7.377
  421    HB3  PRO  60           3HB      PRO  60  -4.419  -7.784   7.467
  422    HG2  PRO  60           2HG      PRO  60  -2.966  -5.611   7.915
  423    HG3  PRO  60           3HG      PRO  60  -2.295  -6.970   6.994
  424    HD2  PRO  60           2HD      PRO  60  -3.300  -4.331   6.026
  425    HD3  PRO  60           3HD      PRO  60  -1.944  -5.312   5.430
  426    H    CYS  61           H        CYS  61  -5.988  -4.970   4.773
  427    HA   CYS  61           HA       CYS  61  -8.602  -6.189   5.150
  428    HB2  CYS  61           2HB      CYS  61  -9.456  -3.902   4.832
  429    HB3  CYS  61           3HB      CYS  61  -8.218  -3.974   6.082
  430    H    HIS  62           H        HIS  62  -6.596  -6.558   2.778
  431    HA   HIS  62           HA       HIS  62  -6.811  -7.249   0.631
  432    HB2  HIS  62           2HB      HIS  62  -9.759  -6.972   1.209
  433    HB3  HIS  62           3HB      HIS  62  -9.121  -7.605  -0.303
  434    HD1  HIS  62           HD1      HIS  62 -10.267  -8.674   2.915
  435    HD2  HIS  62           HD2      HIS  62  -7.379  -9.984   0.221
  436    HE1  HIS  62           HE1      HIS  62  -9.788 -11.065   3.538
  437    HE2  HIS  62           HE2      HIS  62  -8.156 -11.882   1.801
  438    H    HIS  63           H        HIS  63  -6.690  -4.346   1.388
  439    HA   HIS  63           HA       HIS  63  -7.693  -3.229  -1.136
  440    HB2  HIS  63           2HB      HIS  63  -7.053  -2.015   1.512
  441    HB3  HIS  63           3HB      HIS  63  -6.796  -1.031   0.076
  442    HD2  HIS  63           HD2      HIS  63  -9.574  -2.143  -1.481
  443    HE1  HIS  63           HE1      HIS  63 -11.481  -0.222   1.777
  444    HE2  HIS  63           HE2      HIS  63 -11.798  -1.360  -0.437
  445    H    TYR  64           H        TYR  64  -6.321  -2.492  -2.679
  446    HA   TYR  64           HA       TYR  64  -3.529  -3.305  -2.288
  447    HB2  TYR  64           2HB      TYR  64  -5.124  -3.056  -4.845
  448    HB3  TYR  64           3HB      TYR  64  -3.455  -3.600  -4.731
  449    HD1  TYR  64           HD1      TYR  64  -6.957  -4.473  -4.025
  450    HD2  TYR  64           HD2      TYR  64  -2.926  -5.827  -4.003
  451    HE1  TYR  64           HE1      TYR  64  -7.740  -6.781  -3.727
  452    HE2  TYR  64           HE2      TYR  64  -3.699  -8.140  -3.707
  453    HH   TYR  64           HH       TYR  64  -5.689  -9.304  -2.803
  454    H    PHE  65           H        PHE  65  -1.926  -1.930  -2.514
  455    HA   PHE  65           HA       PHE  65  -2.297   0.562  -4.009
  456    HB2  PHE  65           2HB      PHE  65  -1.064   0.364  -1.246
  457    HB3  PHE  65           3HB      PHE  65  -1.001   1.792  -2.270
  458    HD1  PHE  65           HD2      PHE  65  -3.072   3.045  -2.773
  459    HD2  PHE  65           HD1      PHE  65  -2.996  -0.161   0.026
  460    HE1  PHE  65           HE2      PHE  65  -5.214   3.811  -1.838
  461    HE2  PHE  65           HE1      PHE  65  -5.138   0.601   0.961
  462    HZ   PHE  65           HZ       PHE  65  -6.246   2.587   0.030
  463    H    HIS  66           H        HIS  66   0.058   1.596  -4.248
  464    HA   HIS  66           HA       HIS  66   1.791  -0.564  -5.141
  465    HB2  HIS  66           2HB      HIS  66   2.222   2.430  -5.206
  466    HB3  HIS  66           3HB      HIS  66   3.330   1.242  -5.875
  467    HD2  HIS  66           HD2      HIS  66   1.536  -0.482  -7.810
  468    HE1  HIS  66           HE1      HIS  66   0.068   3.206  -9.315
  469    HE2  HIS  66           HE2      HIS  66   0.569   0.799  -9.836
  470    H    LYS  67           H        LYS  67   3.428  -1.361  -3.993
  471    HA   LYS  67           HA       LYS  67   3.742  -0.862  -1.294
  472    HB2  LYS  67           2HB      LYS  67   4.512  -2.907  -2.439
  473    HB3  LYS  67           3HB      LYS  67   5.818  -1.994  -3.173
  474    HG2  LYS  67           2HG      LYS  67   6.810  -1.586  -1.015
  475    HG3  LYS  67           3HG      LYS  67   5.452  -2.376  -0.210
  476    HD2  LYS  67           2HD      LYS  67   6.021  -4.480  -1.323
  477    HD3  LYS  67           3HD      LYS  67   7.376  -3.688  -2.129
  478    HE2  LYS  67           2HE      LYS  67   8.398  -3.223   0.039
  479    HE3  LYS  67           3HE      LYS  67   7.037  -3.993   0.854
  480    HZ1  LYS  67           3HZ      LYS  67   7.616  -6.077  -0.191
  481    HZ2  LYS  67           1HZ      LYS  67   8.948  -5.476   0.665
  482    HZ3  LYS  67           2HZ      LYS  67   8.900  -5.348  -1.028
  483    HA   PRO  68           HA       PRO  68   7.691   1.928  -2.493
  484    HB2  PRO  68           2HB      PRO  68   6.437   3.060  -4.956
  485    HB3  PRO  68           3HB      PRO  68   8.144   2.787  -4.586
  486    HG2  PRO  68           2HG      PRO  68   6.867   1.141  -6.213
  487    HG3  PRO  68           3HG      PRO  68   8.001   0.504  -5.005
  488    HD2  PRO  68           2HD      PRO  68   5.014   0.513  -4.982
  489    HD3  PRO  68           3HD      PRO  68   6.142  -0.735  -4.420
  490    H    CYS  69           H        CYS  69   4.436   3.023  -3.553
  491    HA   CYS  69           HA       CYS  69   4.944   5.623  -2.402
  492    HB2  CYS  69           2HB      CYS  69   2.696   6.226  -3.241
  493    HB3  CYS  69           3HB      CYS  69   3.749   5.586  -4.493
  494    H    VAL  70           H        VAL  70   2.959   2.800  -1.602
  495    HA   VAL  70           HA       VAL  70   1.544   4.102   0.497
  496    HB   VAL  70           HB       VAL  70   0.854   1.928  -0.620
  497   HG11  VAL  70          1HG1      VAL  70   1.681  -0.155   0.366
  498   HG12  VAL  70          2HG1      VAL  70   2.871   0.760   1.293
  499   HG13  VAL  70          3HG1      VAL  70   2.959   0.729  -0.468
  500   HG21  VAL  70          3HG2      VAL  70  -0.184   1.034   1.411
  501   HG22  VAL  70          1HG2      VAL  70  -0.285   2.794   1.343
  502   HG23  VAL  70          2HG2      VAL  70   0.900   2.017   2.394
  503    H    SER  71           H        SER  71   4.664   2.653   0.211
  504    HA   SER  71           HA       SER  71   5.370   2.187   2.844
  505    HB2  SER  71           2HB      SER  71   6.803   1.595   0.952
  506    HB3  SER  71           3HB      SER  71   7.063   3.298   0.590
  507    HG   SER  71           HG       SER  71   8.550   1.819   2.093
  508    H    ILE  72           H        ILE  72   5.625   5.216   0.997
  509    HA   ILE  72           HA       ILE  72   6.732   6.731   3.114
  510    HB   ILE  72           HB       ILE  72   5.145   7.781   0.764
  511   HG12  ILE  72          2HG1      ILE  72   8.121   7.270   0.980
  512   HG13  ILE  72          3HG1      ILE  72   6.994   6.270   0.071
  513   HG21  ILE  72          1HG2      ILE  72   7.256   9.067   2.496
  514   HG22  ILE  72          2HG2      ILE  72   5.529   9.424   2.525
  515   HG23  ILE  72          3HG2      ILE  72   6.486   9.809   1.093
  516   HD11  ILE  72          3HD1      ILE  72   8.207   7.769  -1.394
  517   HD12  ILE  72          1HD1      ILE  72   7.637   9.159  -0.470
  518   HD13  ILE  72          2HD1      ILE  72   6.490   8.173  -1.378
  519    H    TRP  73           H        TRP  73   3.439   6.181   1.991
  520    HA   TRP  73           HA       TRP  73   2.149   8.028   3.666
  521    HB2  TRP  73           2HB      TRP  73   0.969   7.056   1.794
  522    HB3  TRP  73           3HB      TRP  73   1.163   5.438   2.458
  523    HD1  TRP  73           HD1      TRP  73  -0.686   4.579   4.037
  524    HE1  TRP  73           HE1      TRP  73  -2.820   5.586   5.062
  525    HE3  TRP  73           HE3      TRP  73   0.014   9.460   2.696
  526    HZ2  TRP  73           HZ2      TRP  73  -4.044   8.128   5.271
  527    HZ3  TRP  73           HZ3      TRP  73  -1.684  11.118   3.347
  528    HH2  TRP  73           HH2      TRP  73  -3.670  10.465   4.607
  529    H    LEU  74           H        LEU  74   2.881   4.578   4.108
  530    HA   LEU  74           HA       LEU  74   1.638   4.357   6.635
  531    HB2  LEU  74           2HB      LEU  74   3.838   2.697   5.410
  532    HB3  LEU  74           3HB      LEU  74   2.943   2.263   6.854
  533    HG   LEU  74           HG       LEU  74   1.740   2.595   4.105
  534   HD11  LEU  74          1HD1      LEU  74   2.345   0.104   5.689
  535   HD12  LEU  74          2HD1      LEU  74   3.200   0.645   4.243
  536   HD13  LEU  74          3HD1      LEU  74   1.504   0.169   4.141
  537   HD21  LEU  74          3HD2      LEU  74   0.536   1.577   6.676
  538   HD22  LEU  74          1HD2      LEU  74  -0.258   1.617   5.102
  539   HD23  LEU  74          2HD2      LEU  74   0.175   3.125   5.910
  540    H    GLN  75           H        GLN  75   4.827   5.404   5.649
  541    HA   GLN  75           HA       GLN  75   6.002   5.312   8.246
  542    HB2  GLN  75           2HB      GLN  75   6.748   6.897   5.784
  543    HB3  GLN  75           3HB      GLN  75   7.706   6.867   7.258
  544    HG2  GLN  75           2HG      GLN  75   7.967   4.433   7.007
  545    HG3  GLN  75           3HG      GLN  75   7.071   4.514   5.491
  546   HE21  GLN  75          1HE2      GLN  75   8.779   3.746   4.276
  547   HE22  GLN  75          2HE2      GLN  75  10.204   4.682   3.969
  548    H    LYS  76           H        LYS  76   3.694   7.336   6.829
  549    HA   LYS  76           HA       LYS  76   4.193   9.466   8.786
  550    HB2  LYS  76           2HB      LYS  76   2.342   9.362   6.397
  551    HB3  LYS  76           3HB      LYS  76   2.441  10.715   7.515
  552    HG2  LYS  76           2HG      LYS  76   4.769  11.071   6.897
  553    HG3  LYS  76           3HG      LYS  76   4.694   9.692   5.799
  554    HD2  LYS  76           2HD      LYS  76   2.946  12.139   5.576
  555    HD3  LYS  76           3HD      LYS  76   4.448  11.907   4.682
  556    HE2  LYS  76           2HE      LYS  76   3.530   9.922   3.619
  557    HE3  LYS  76           3HE      LYS  76   2.038  10.097   4.544
  558    HZ1  LYS  76           3HZ      LYS  76   1.926  10.968   2.234
  559    HZ2  LYS  76           1HZ      LYS  76   3.062  12.151   2.658
  560    HZ3  LYS  76           2HZ      LYS  76   1.545  12.119   3.416
  561    H    SER  77           H        SER  77   1.671   7.281   7.621
  562    HA   SER  77           HA       SER  77   0.602   7.054  10.299
  563    HB2  SER  77           2HB      SER  77  -1.757   7.490   9.363
  564    HB3  SER  77           3HB      SER  77  -0.736   8.896   9.657
  565    HG   SER  77           HG       SER  77  -0.941   7.605   7.137
  566    H    GLY  78           H        GLY  78   0.277   4.946  10.617
  567    HA2  GLY  78           2HA      GLY  78   0.357   3.146   8.354
  568    HA3  GLY  78           3HA      GLY  78   0.331   2.692  10.051
  569    H    THR  79           H        THR  79  -1.811   4.210   7.635
  570    HA   THR  79           HA       THR  79  -3.897   2.317   8.423
  571    HB   THR  79           HB       THR  79  -5.461   4.465   8.054
  572    HG1  THR  79           HG1      THR  79  -3.458   5.647   9.622
  573   HG21  THR  79          3HG2      THR  79  -4.146   3.705  10.659
  574   HG22  THR  79          1HG2      THR  79  -5.576   2.951   9.953
  575   HG23  THR  79          2HG2      THR  79  -5.641   4.629  10.495
  576    H    CYS  80           H        CYS  80  -5.266   1.734   6.807
  577    HA   CYS  80           HA       CYS  80  -4.504   2.255   4.092
  578    HB2  CYS  80           2HB      CYS  80  -5.440   0.093   4.872
  579    HB3  CYS  80           3HB      CYS  80  -6.958   0.890   5.233
  580    HA   PRO  81           HA       PRO  81  -6.443   6.283   4.338
  581    HB2  PRO  81           2HB      PRO  81  -6.501   6.652   1.555
  582    HB3  PRO  81           3HB      PRO  81  -5.228   7.167   2.663
  583    HG2  PRO  81           2HG      PRO  81  -5.377   4.740   0.942
  584    HG3  PRO  81           3HG      PRO  81  -3.969   5.723   1.385
  585    HD2  PRO  81           2HD      PRO  81  -4.389   3.340   2.507
  586    HD3  PRO  81           3HD      PRO  81  -3.755   4.699   3.459
  587    H    VAL  82           H        VAL  82  -7.670   3.872   2.050
  588    HA   VAL  82           HA       VAL  82 -10.042   5.285   1.414
  589    HB   VAL  82           HB       VAL  82  -9.531   2.318   1.133
  590   HG11  VAL  82          1HG1      VAL  82 -11.879   2.917   0.870
  591   HG12  VAL  82          2HG1      VAL  82 -11.176   2.441  -0.677
  592   HG13  VAL  82          3HG1      VAL  82 -11.444   4.147  -0.317
  593   HG21  VAL  82          3HG2      VAL  82  -7.763   3.601   0.067
  594   HG22  VAL  82          1HG2      VAL  82  -8.956   4.574  -0.791
  595   HG23  VAL  82          2HG2      VAL  82  -8.799   2.855  -1.150
  596    H    CYS  83           H        CYS  83  -9.247   3.128   4.039
  597    HA   CYS  83           HA       CYS  83 -12.074   3.172   4.873
  598    HB2  CYS  83           2HB      CYS  83 -11.781   0.876   5.774
  599    HB3  CYS  83           3HB      CYS  83 -11.613   0.955   4.024
  600    H    ARG  84           H        ARG  84  -8.736   3.284   5.753
  601    HA   ARG  84           HA       ARG  84  -7.669   4.255   7.468
  602    HB2  ARG  84           2HB      ARG  84  -9.972   5.561   7.724
  603    HB3  ARG  84           3HB      ARG  84 -10.069   4.597   9.193
  604    HG2  ARG  84           2HG      ARG  84  -9.070   6.744   9.675
  605    HG3  ARG  84           3HG      ARG  84  -7.874   5.463   9.886
  606    HD2  ARG  84           2HD      ARG  84  -7.052   5.940   7.582
  607    HD3  ARG  84           3HD      ARG  84  -8.154   7.309   7.517
  608    HE   ARG  84           HE       ARG  84  -6.278   7.294   9.733
  609   HH11  ARG  84          1HH1      ARG  84  -7.048   8.453   6.522
  610   HH12  ARG  84          2HH1      ARG  84  -5.894   9.756   6.577
  611   HH21  ARG  84          1HH2      ARG  84  -4.766   9.005   9.819
  612   HH22  ARG  84          2HH2      ARG  84  -4.584  10.069   8.450
  613    H    CYS  85           H        CYS  85  -8.786   1.407   7.242
  614    HA   CYS  85           HA       CYS  85  -8.519   0.332   9.855
  615    HB2  CYS  85           2HB      CYS  85  -9.508  -0.956   7.994
  616    HB3  CYS  85           3HB      CYS  85  -7.955  -0.952   7.165
  617    HG   CYS  85           HG       CYS  85  -9.057  -2.923   9.636
  618    H    MET  86           H        MET  86  -6.684  -0.403  10.906
  619    HA   MET  86           HA       MET  86  -4.350   1.155  10.252
  620    HB2  MET  86           2HB      MET  86  -5.278   0.936  12.563
  621    HB3  MET  86           3HB      MET  86  -4.786  -0.748  12.548
  622    HG2  MET  86           2HG      MET  86  -2.463  -0.095  12.330
  623    HG3  MET  86           3HG      MET  86  -2.936   1.601  12.295
  624    HE1  MET  86           3HE      MET  86  -5.381   1.397  14.468
  625    HE2  MET  86           1HE      MET  86  -4.266   2.762  14.393
  626    HE3  MET  86           2HE      MET  86  -4.540   1.931  15.924
  627    H    PHE  87           H        PHE  87  -2.298   0.420   9.836
  628    HA   PHE  87           HA       PHE  87  -1.873  -2.477   9.671
  629    HB2  PHE  87           2HB      PHE  87  -2.122  -1.794   7.364
  630    HB3  PHE  87           3HB      PHE  87  -1.024  -0.436   7.601
  631    HD1  PHE  87           HD1      PHE  87  -1.174  -4.146   7.666
  632    HD2  PHE  87           HD2      PHE  87   1.260  -0.682   7.230
  633    HE1  PHE  87           HE1      PHE  87   0.732  -5.568   7.032
  634    HE2  PHE  87           HE2      PHE  87   3.168  -2.098   6.593
  635    HZ   PHE  87           HZ       PHE  87   2.905  -4.542   6.496
  636    HA   PRO  88           HA       PRO  88  -0.717  -3.909  10.325
  637    HB2  PRO  88           2HB      PRO  88   0.172  -4.362  13.068
  638    HB3  PRO  88           3HB      PRO  88   0.631  -5.218  11.595
  639    HG2  PRO  88           2HG      PRO  88   2.342  -3.612  12.944
  640    HG3  PRO  88           3HG      PRO  88   2.413  -3.824  11.186
  641    HD2  PRO  88           2HD      PRO  88   1.237  -1.571  12.775
  642    HD3  PRO  88           3HD      PRO  88   2.206  -1.515  11.285
  643    HA   PRO  89           HA       PRO  89  -4.665  -3.207  12.161
  644    HB2  PRO  89           2HB      PRO  89  -5.113  -5.804  13.136
  645    HB3  PRO  89           3HB      PRO  89  -5.561  -5.193  11.544
  646    HG2  PRO  89           2HG      PRO  89  -3.184  -6.789  12.362
  647    HG3  PRO  89           3HG      PRO  89  -4.116  -6.851  10.855
  648    HD2  PRO  89           2HD      PRO  89  -1.721  -5.681  10.940
  649    HD3  PRO  89           3HD      PRO  89  -3.042  -4.985   9.974
  650    HA   PRO  90           HA       PRO  90  -3.837  -2.249  16.336
  651    HB2  PRO  90           2HB      PRO  90  -6.358  -2.074  17.359
  652    HB3  PRO  90           3HB      PRO  90  -5.649  -0.847  16.305
  653    HG2  PRO  90           2HG      PRO  90  -7.543  -3.059  15.626
  654    HG3  PRO  90           3HG      PRO  90  -7.543  -1.374  15.072
  655    HD2  PRO  90           2HD      PRO  90  -6.603  -3.399  13.547
  656    HD3  PRO  90           3HD      PRO  90  -5.919  -1.767  13.488
  657    H    LEU  91           H        LEU  91  -3.683  -3.137  18.396
  658    HA   LEU  91           HA       LEU  91  -4.481  -5.966  18.526
  659    HB2  LEU  91           2HB      LEU  91  -2.286  -4.502  20.000
  660    HB3  LEU  91           3HB      LEU  91  -2.659  -6.207  20.169
  661    HG   LEU  91           HG       LEU  91  -1.698  -4.889  17.626
  662   HD11  LEU  91          1HD1      LEU  91   0.384  -6.097  18.035
  663   HD12  LEU  91          2HD1      LEU  91  -0.247  -6.663  19.581
  664   HD13  LEU  91          3HD1      LEU  91   0.041  -4.942  19.322
  665   HD21  LEU  91          3HD2      LEU  91  -3.130  -6.810  17.202
  666   HD22  LEU  91          1HD2      LEU  91  -2.164  -7.790  18.305
  667   HD23  LEU  91          2HD2      LEU  91  -1.451  -7.185  16.810
  Start of MODEL   11
    1    H1   MET   1           1H       MET   1  -4.283  16.506  30.301
    2    H2   MET   1           2H       MET   1  -3.611  15.262  29.363
    3    H3   MET   1           3H       MET   1  -4.722  16.337  28.672
    4    HA   MET   1           HA       MET   1  -2.417  16.767  28.028
    5    HB2  MET   1           2HB      MET   1  -2.481  19.226  28.589
    6    HB3  MET   1           3HB      MET   1  -3.921  18.587  27.816
    7    HG2  MET   1           2HG      MET   1  -4.717  20.012  29.470
    8    HG3  MET   1           3HG      MET   1  -4.899  18.400  30.152
    9    HE1  MET   1           3HE      MET   1  -5.001  21.165  31.813
   10    HE2  MET   1           1HE      MET   1  -4.105  20.686  33.254
   11    HE3  MET   1           2HE      MET   1  -5.265  19.574  32.527
   12    H    GLY   2           H        GLY   2  -0.340  17.507  28.598
   13    HA2  GLY   2           2HA      GLY   2   0.288  17.189  31.477
   14    HA3  GLY   2           3HA      GLY   2   1.377  16.709  30.178
   15    H    HIS   3           H        HIS   3   2.115  18.444  28.722
   16    HA   HIS   3           HA       HIS   3   2.300  21.037  30.115
   17    HB2  HIS   3           2HB      HIS   3   4.233  19.687  28.216
   18    HB3  HIS   3           3HB      HIS   3   4.378  21.372  28.708
   19    HD1  HIS   3           HD1      HIS   3   5.277  21.851  31.046
   20    HD2  HIS   3           HD2      HIS   3   4.800  17.798  30.252
   21    HE1  HIS   3           HE1      HIS   3   6.449  20.652  32.919
   22    HE2  HIS   3           HE2      HIS   3   5.880  18.220  32.565
   23    H    HIS   4           H        HIS   4   3.136  22.640  28.049
   24    HA   HIS   4           HA       HIS   4   0.934  22.353  26.121
   25    HB2  HIS   4           2HB      HIS   4   0.788  24.811  25.971
   26    HB3  HIS   4           3HB      HIS   4   0.412  24.215  27.576
   27    HD1  HIS   4           HD1      HIS   4   2.137  26.845  25.972
   28    HD2  HIS   4           HD2      HIS   4   2.917  24.493  29.315
   29    HE1  HIS   4           HE1      HIS   4   3.761  28.160  27.365
   30    HE2  HIS   4           HE2      HIS   4   4.385  26.626  29.256
   31    H    HIS   5           H        HIS   5   3.111  21.085  25.520
   32    HA   HIS   5           HA       HIS   5   5.013  22.578  24.004
   33    HB2  HIS   5           2HB      HIS   5   5.606  20.399  24.917
   34    HB3  HIS   5           3HB      HIS   5   4.310  19.628  24.014
   35    HD1  HIS   5           HD1      HIS   5   7.813  20.822  23.711
   36    HD2  HIS   5           HD2      HIS   5   4.828  19.307  21.237
   37    HE1  HIS   5           HE1      HIS   5   8.959  20.202  21.559
   38    HE2  HIS   5           HE2      HIS   5   7.115  19.392  20.035
   39    H    HIS   6           H        HIS   6   4.901  23.242  21.939
   40    HA   HIS   6           HA       HIS   6   2.414  22.612  20.496
   41    HB2  HIS   6           2HB      HIS   6   2.580  24.954  21.042
   42    HB3  HIS   6           3HB      HIS   6   4.210  25.041  20.387
   43    HD1  HIS   6           HD1      HIS   6   0.603  24.805  19.310
   44    HD2  HIS   6           HD2      HIS   6   4.367  25.464  17.657
   45    HE1  HIS   6           HE1      HIS   6   0.189  25.569  16.950
   46    HE2  HIS   6           HE2      HIS   6   2.463  26.184  16.063
   47    H    HIS   7           H        HIS   7   2.682  21.174  18.923
   48    HA   HIS   7           HA       HIS   7   5.204  21.125  17.441
   49    HB2  HIS   7           2HB      HIS   7   4.301  19.107  16.333
   50    HB3  HIS   7           3HB      HIS   7   4.335  18.946  18.081
   51    HD1  HIS   7           HD1      HIS   7   2.211  18.265  19.186
   52    HD2  HIS   7           HD2      HIS   7   1.602  19.575  15.283
   53    HE1  HIS   7           HE1      HIS   7  -0.194  17.737  18.659
   54    HE2  HIS   7           HE2      HIS   7  -0.517  18.443  16.261
   55    H    HIS   8           H        HIS   8   4.999  20.936  14.989
   56    HA   HIS   8           HA       HIS   8   3.631  23.307  14.115
   57    HB2  HIS   8           2HB      HIS   8   5.874  22.545  13.249
   58    HB3  HIS   8           3HB      HIS   8   5.038  21.253  12.396
   59    HD1  HIS   8           HD1      HIS   8   4.197  21.800  10.106
   60    HD2  HIS   8           HD2      HIS   8   5.050  25.206  12.341
   61    HE1  HIS   8           HE1      HIS   8   3.899  23.743   8.534
   62    HE2  HIS   8           HE2      HIS   8   4.591  25.774   9.862
   63    H    SER   9           H        SER   9   1.929  23.451  12.659
   64    HA   SER   9           HA       SER   9  -0.150  21.652  12.979
   65    HB2  SER   9           2HB      SER   9  -1.097  22.902  10.918
   66    HB3  SER   9           3HB      SER   9  -0.758  23.826  12.381
   67    HG   SER   9           HG       SER   9   0.549  23.830   9.909
   68    H    HIS  10           H        HIS  10   0.098  19.567  12.457
   69    HA   HIS  10           HA       HIS  10  -0.233  18.928   9.688
   70    HB2  HIS  10           2HB      HIS  10   1.593  17.397   9.402
   71    HB3  HIS  10           3HB      HIS  10   2.263  18.937   9.908
   72    HD1  HIS  10           HD1      HIS  10   2.894  19.008  12.600
   73    HD2  HIS  10           HD2      HIS  10   2.507  15.283  10.797
   74    HE1  HIS  10           HE1      HIS  10   4.111  17.399  14.099
   75    HE2  HIS  10           HE2      HIS  10   4.020  15.189  12.891
   76    H    MET  11           H        MET  11  -1.803  17.504   9.617
   77    HA   MET  11           HA       MET  11  -2.643  16.289  12.120
   78    HB2  MET  11           2HB      MET  11  -4.299  17.509  10.807
   79    HB3  MET  11           3HB      MET  11  -4.012  16.450   9.432
   80    HG2  MET  11           2HG      MET  11  -4.858  14.551  10.716
   81    HG3  MET  11           3HG      MET  11  -5.145  15.613  12.093
   82    HE1  MET  11           3HE      MET  11  -8.769  14.787  10.815
   83    HE2  MET  11           1HE      MET  11  -7.659  14.724  12.183
   84    HE3  MET  11           2HE      MET  11  -7.381  13.699  10.775
   85    H    VAL  12           H        VAL  12  -1.944  14.349  12.632
   86    HA   VAL  12           HA       VAL  12  -1.711  12.329  10.494
   87    HB   VAL  12           HB       VAL  12  -0.206  12.409  13.116
   88   HG11  VAL  12          1HG1      VAL  12  -0.667  10.143  12.383
   89   HG12  VAL  12          2HG1      VAL  12   1.046  10.513  12.188
   90   HG13  VAL  12          3HG1      VAL  12  -0.020  10.508  10.784
   91   HG21  VAL  12          3HG2      VAL  12   0.767  12.898  10.302
   92   HG22  VAL  12          1HG2      VAL  12   1.783  12.806  11.740
   93   HG23  VAL  12          2HG2      VAL  12   0.607  14.110  11.574
   94    H    ALA  13           H        ALA  13  -3.083  10.662  10.644
   95    HA   ALA  13           HA       ALA  13  -5.066  10.697  12.699
   96    HB1  ALA  13           3HB      ALA  13  -5.615  10.168  10.373
   97    HB2  ALA  13           1HB      ALA  13  -6.102   8.875  11.470
   98    HB3  ALA  13           2HB      ALA  13  -4.651   8.695  10.485
   99    H    ASN  14           H        ASN  14  -2.644   8.263  11.721
  100    HA   ASN  14           HA       ASN  14  -2.851   7.120  14.428
  101    HB2  ASN  14           2HB      ASN  14  -2.888   5.675  11.783
  102    HB3  ASN  14           3HB      ASN  14  -2.404   4.865  13.267
  103   HD21  ASN  14          1HD2      ASN  14  -4.681   4.426  11.470
  104   HD22  ASN  14          2HD2      ASN  14  -6.088   4.503  12.481
  105    HA   PRO  15           HA       PRO  15   1.583   7.145  14.668
  106    HB2  PRO  15           2HB      PRO  15   2.023   4.577  15.627
  107    HB3  PRO  15           3HB      PRO  15   1.621   5.978  16.625
  108    HG2  PRO  15           2HG      PRO  15  -0.153   3.811  15.598
  109    HG3  PRO  15           3HG      PRO  15  -0.167   4.618  17.176
  110    HD2  PRO  15           2HD      PRO  15  -1.957   5.231  15.283
  111    HD3  PRO  15           3HD      PRO  15  -1.285   6.478  16.355
  112    HA   PRO  16           HA       PRO  16   2.945   5.388  10.896
  113    HB2  PRO  16           2HB      PRO  16   5.631   5.389  11.244
  114    HB3  PRO  16           3HB      PRO  16   4.696   6.869  11.010
  115    HG2  PRO  16           2HG      PRO  16   5.738   5.667  13.543
  116    HG3  PRO  16           3HG      PRO  16   5.722   7.365  13.033
  117    HD2  PRO  16           2HD      PRO  16   3.906   6.322  14.766
  118    HD3  PRO  16           3HD      PRO  16   3.536   7.667  13.668
  119    H    ALA  17           H        ALA  17   3.806   3.545   9.898
  120    HA   ALA  17           HA       ALA  17   3.817   1.188  11.596
  121    HB1  ALA  17           3HB      ALA  17   3.758  -0.063   9.496
  122    HB2  ALA  17           1HB      ALA  17   3.948   1.439   8.592
  123    HB3  ALA  17           2HB      ALA  17   2.492   1.162   9.550
  124    H    SER  18           H        SER  18   5.511  -0.240  11.793
  125    HA   SER  18           HA       SER  18   8.117   0.829  11.742
  126    HB2  SER  18           2HB      SER  18   7.234  -2.058  11.993
  127    HB3  SER  18           3HB      SER  18   8.814  -1.419  12.443
  128    HG   SER  18           HG       SER  18   6.410  -1.313  13.783
  129    H    LYS  19           H        LYS  19   9.887   0.349  10.445
  130    HA   LYS  19           HA       LYS  19   9.396   0.281   7.695
  131    HB2  LYS  19           2HB      LYS  19  11.426   1.230   8.752
  132    HB3  LYS  19           3HB      LYS  19  11.969  -0.402   9.121
  133    HG2  LYS  19           2HG      LYS  19  11.862  -0.859   6.639
  134    HG3  LYS  19           3HG      LYS  19  11.657   0.881   6.427
  135    HD2  LYS  19           2HD      LYS  19  13.976   0.401   6.169
  136    HD3  LYS  19           3HD      LYS  19  13.769   1.194   7.732
  137    HE2  LYS  19           2HE      LYS  19  13.868  -0.943   8.866
  138    HE3  LYS  19           3HE      LYS  19  13.977  -1.783   7.321
  139    HZ1  LYS  19           3HZ      LYS  19  15.988   0.105   8.421
  140    HZ2  LYS  19           1HZ      LYS  19  16.083  -0.655   6.908
  141    HZ3  LYS  19           2HZ      LYS  19  16.143  -1.582   8.321
  142    H    GLU  20           H        GLU  20  10.571  -2.239   9.874
  143    HA   GLU  20           HA       GLU  20  11.064  -4.304   8.148
  144    HB2  GLU  20           2HB      GLU  20   9.807  -4.376  10.891
  145    HB3  GLU  20           3HB      GLU  20  10.272  -5.828  10.019
  146    HG2  GLU  20           2HG      GLU  20  11.974  -5.247  11.612
  147    HG3  GLU  20           3HG      GLU  20  12.597  -5.037   9.978
  148    H    SER  21           H        SER  21   7.912  -3.410   9.519
  149    HA   SER  21           HA       SER  21   6.485  -5.539   8.321
  150    HB2  SER  21           2HB      SER  21   5.437  -2.880   9.323
  151    HB3  SER  21           3HB      SER  21   4.488  -4.345   9.057
  152    HG   SER  21           HG       SER  21   6.248  -5.244  10.595
  153    H    ILE  22           H        ILE  22   7.240  -2.266   7.290
  154    HA   ILE  22           HA       ILE  22   5.458  -2.256   5.053
  155    HB   ILE  22           HB       ILE  22   7.930  -0.566   5.488
  156   HG12  ILE  22          2HG1      ILE  22   5.051   0.058   6.184
  157   HG13  ILE  22          3HG1      ILE  22   6.283  -0.411   7.351
  158   HG21  ILE  22          1HG2      ILE  22   6.860   1.003   3.954
  159   HG22  ILE  22          2HG2      ILE  22   5.516  -0.117   3.737
  160   HG23  ILE  22          3HG2      ILE  22   7.131  -0.560   3.181
  161   HD11  ILE  22          3HD1      ILE  22   7.559   1.592   6.813
  162   HD12  ILE  22          1HD1      ILE  22   5.926   1.989   7.349
  163   HD13  ILE  22          2HD1      ILE  22   6.334   2.058   5.635
  164    H    ASP  23           H        ASP  23   8.924  -2.835   5.475
  165    HA   ASP  23           HA       ASP  23   9.551  -3.354   2.780
  166    HB2  ASP  23           2HB      ASP  23  11.343  -2.928   4.295
  167    HB3  ASP  23           3HB      ASP  23  10.829  -4.219   5.375
  168    H    ALA  24           H        ALA  24   8.254  -5.366   5.330
  169    HA   ALA  24           HA       ALA  24   8.646  -7.830   3.896
  170    HB1  ALA  24           3HB      ALA  24   7.539  -8.873   5.788
  171    HB2  ALA  24           1HB      ALA  24   7.073  -7.288   6.406
  172    HB3  ALA  24           2HB      ALA  24   8.776  -7.741   6.335
  173    H    LEU  25           H        LEU  25   6.546  -5.415   3.305
  174    HA   LEU  25           HA       LEU  25   4.105  -6.839   2.971
  175    HB2  LEU  25           2HB      LEU  25   5.139  -4.296   1.723
  176    HB3  LEU  25           3HB      LEU  25   3.539  -4.935   1.406
  177    HG   LEU  25           HG       LEU  25   4.576  -4.049   4.102
  178   HD11  LEU  25          1HD1      LEU  25   2.956  -2.232   3.864
  179   HD12  LEU  25          2HD1      LEU  25   2.559  -2.800   2.242
  180   HD13  LEU  25          3HD1      LEU  25   4.174  -2.184   2.588
  181   HD21  LEU  25          3HD2      LEU  25   2.284  -4.393   4.868
  182   HD22  LEU  25          1HD2      LEU  25   2.984  -5.901   4.280
  183   HD23  LEU  25          2HD2      LEU  25   1.836  -5.012   3.278
  184    HA   PRO  26           HA       PRO  26   4.999  -9.282  -0.580
  185    HB2  PRO  26           2HB      PRO  26   2.492  -9.423  -1.671
  186    HB3  PRO  26           3HB      PRO  26   3.008 -10.366  -0.269
  187    HG2  PRO  26           2HG      PRO  26   1.439  -7.818  -0.362
  188    HG3  PRO  26           3HG      PRO  26   1.182  -9.256   0.644
  189    HD2  PRO  26           2HD      PRO  26   2.366  -7.049   1.617
  190    HD3  PRO  26           3HD      PRO  26   2.862  -8.676   2.126
  191    H    GLU  27           H        GLU  27   5.384  -9.117  -2.770
  192    HA   GLU  27           HA       GLU  27   4.819  -6.472  -3.947
  193    HB2  GLU  27           2HB      GLU  27   7.073  -8.344  -4.680
  194    HB3  GLU  27           3HB      GLU  27   6.850  -6.687  -5.223
  195    HG2  GLU  27           2HG      GLU  27   7.115  -5.956  -2.854
  196    HG3  GLU  27           3HG      GLU  27   7.526  -7.622  -2.448
  197    H    ILE  28           H        ILE  28   3.108  -6.697  -5.217
  198    HA   ILE  28           HA       ILE  28   2.857  -9.078  -6.915
  199    HB   ILE  28           HB       ILE  28   0.840  -6.879  -6.402
  200   HG12  ILE  28          2HG1      ILE  28   0.948  -9.683  -5.269
  201   HG13  ILE  28          3HG1      ILE  28   1.379  -8.226  -4.381
  202   HG21  ILE  28          1HG2      ILE  28  -0.771  -8.419  -7.417
  203   HG22  ILE  28          2HG2      ILE  28   0.530  -9.563  -7.744
  204   HG23  ILE  28          3HG2      ILE  28   0.516  -7.991  -8.545
  205   HD11  ILE  28          3HD1      ILE  28  -1.339  -8.880  -5.494
  206   HD12  ILE  28          1HD1      ILE  28  -0.911  -7.412  -4.615
  207   HD13  ILE  28          2HD1      ILE  28  -0.849  -8.976  -3.803
  208    H    LEU  29           H        LEU  29   3.477  -8.947  -8.977
  209    HA   LEU  29           HA       LEU  29   4.188  -6.393 -10.124
  210    HB2  LEU  29           2HB      LEU  29   5.621  -8.300 -10.540
  211    HB3  LEU  29           3HB      LEU  29   4.283  -9.203 -11.220
  212    HG   LEU  29           HG       LEU  29   4.166  -7.562 -13.082
  213   HD11  LEU  29          1HD1      LEU  29   6.702  -6.482 -11.859
  214   HD12  LEU  29          2HD1      LEU  29   5.152  -5.647 -11.938
  215   HD13  LEU  29          3HD1      LEU  29   6.029  -6.020 -13.421
  216   HD21  LEU  29          3HD2      LEU  29   5.384  -9.654 -13.342
  217   HD22  LEU  29          1HD2      LEU  29   6.840  -8.900 -12.691
  218   HD23  LEU  29          2HD2      LEU  29   6.175  -8.352 -14.230
  219    H    VAL  30           H        VAL  30   2.830  -5.139 -11.208
  220    HA   VAL  30           HA       VAL  30   0.331  -6.237 -12.204
  221    HB   VAL  30           HB       VAL  30   1.332  -3.387 -12.343
  222   HG11  VAL  30          1HG1      VAL  30  -1.439  -4.520 -12.711
  223   HG12  VAL  30          2HG1      VAL  30  -0.390  -3.936 -14.002
  224   HG13  VAL  30          3HG1      VAL  30  -0.991  -2.817 -12.783
  225   HG21  VAL  30          3HG2      VAL  30   1.112  -4.125 -10.029
  226   HG22  VAL  30          1HG2      VAL  30  -0.526  -4.688 -10.353
  227   HG23  VAL  30          2HG2      VAL  30  -0.153  -2.967 -10.438
  228    H    THR  31           H        THR  31  -0.141  -6.614 -14.266
  229    HA   THR  31           HA       THR  31   1.923  -6.055 -16.280
  230    HB   THR  31           HB       THR  31   0.862  -7.992 -17.522
  231    HG1  THR  31           HG1      THR  31  -0.995  -8.557 -16.629
  232   HG21  THR  31          3HG2      THR  31   2.983  -8.216 -16.310
  233   HG22  THR  31          1HG2      THR  31   2.027  -9.694 -16.199
  234   HG23  THR  31          2HG2      THR  31   2.101  -8.588 -14.828
  235    H    GLU  32           H        GLU  32   0.892  -6.091 -18.584
  236    HA   GLU  32           HA       GLU  32  -0.756  -3.834 -18.808
  237    HB2  GLU  32           2HB      GLU  32  -0.227  -6.008 -20.839
  238    HB3  GLU  32           3HB      GLU  32  -0.931  -4.437 -21.193
  239    HG2  GLU  32           2HG      GLU  32   1.787  -4.816 -19.990
  240    HG3  GLU  32           3HG      GLU  32   1.494  -4.645 -21.718
  241    H    ASP  33           H        ASP  33  -2.881  -3.540 -19.045
  242    HA   ASP  33           HA       ASP  33  -5.045  -3.872 -18.499
  243    HB2  ASP  33           2HB      ASP  33  -5.113  -4.865 -20.747
  244    HB3  ASP  33           3HB      ASP  33  -4.705  -6.437 -20.065
  245    H    HIS  34           H        HIS  34  -4.240  -4.074 -16.314
  246    HA   HIS  34           HA       HIS  34  -5.607  -6.223 -15.030
  247    HB2  HIS  34           2HB      HIS  34  -3.241  -7.135 -15.608
  248    HB3  HIS  34           3HB      HIS  34  -2.674  -6.048 -14.345
  249    HD1  HIS  34           HD1      HIS  34  -4.711  -9.159 -14.878
  250    HD2  HIS  34           HD2      HIS  34  -3.222  -6.872 -11.730
  251    HE1  HIS  34           HE1      HIS  34  -5.038 -10.550 -12.809
  252    HE2  HIS  34           HE2      HIS  34  -4.317  -9.069 -10.901
  253    H    GLY  35           H        GLY  35  -5.589  -3.329 -15.249
  254    HA2  GLY  35           2HA      GLY  35  -4.493  -2.047 -13.005
  255    HA3  GLY  35           3HA      GLY  35  -5.887  -1.486 -13.919
  256    H    ALA  36           H        ALA  36  -7.545  -3.750 -13.469
  257    HA   ALA  36           HA       ALA  36  -8.444  -3.189 -10.789
  258    HB1  ALA  36           3HB      ALA  36  -9.498  -5.165 -12.812
  259    HB2  ALA  36           1HB      ALA  36 -10.070  -3.514 -12.585
  260    HB3  ALA  36           2HB      ALA  36 -10.292  -4.708 -11.306
  261    H    VAL  37           H        VAL  37  -6.663  -3.909  -9.589
  262    HA   VAL  37           HA       VAL  37  -5.751  -6.621  -9.719
  263    HB   VAL  37           HB       VAL  37  -5.302  -4.651  -7.467
  264   HG11  VAL  37          1HG1      VAL  37  -3.247  -5.935  -7.102
  265   HG12  VAL  37          2HG1      VAL  37  -3.694  -7.022  -8.416
  266   HG13  VAL  37          3HG1      VAL  37  -4.680  -6.955  -6.955
  267   HG21  VAL  37          3HG2      VAL  37  -3.244  -4.001  -8.622
  268   HG22  VAL  37          1HG2      VAL  37  -4.673  -3.609  -9.578
  269   HG23  VAL  37          2HG2      VAL  37  -3.693  -5.016  -9.994
  270    H    GLY  38           H        GLY  38  -8.255  -4.926  -8.098
  271    HA2  GLY  38           2HA      GLY  38  -9.403  -7.369  -7.140
  272    HA3  GLY  38           3HA      GLY  38  -8.795  -6.363  -5.830
  273    H    GLN  39           H        GLN  39 -10.479  -5.379  -4.907
  274    HA   GLN  39           HA       GLN  39 -12.751  -4.491  -6.419
  275    HB2  GLN  39           2HB      GLN  39 -13.531  -3.540  -4.294
  276    HB3  GLN  39           3HB      GLN  39 -13.014  -5.209  -4.109
  277    HG2  GLN  39           2HG      GLN  39 -10.881  -4.428  -3.173
  278    HG3  GLN  39           3HG      GLN  39 -11.440  -2.764  -3.329
  279   HE21  GLN  39          1HE2      GLN  39 -13.490  -5.449  -2.362
  280   HE22  GLN  39          2HE2      GLN  39 -13.721  -4.914  -0.739
  281    H    GLU  40           H        GLU  40  -9.699  -3.351  -6.150
  282    HA   GLU  40           HA       GLU  40 -10.515  -0.586  -6.747
  283    HB2  GLU  40           2HB      GLU  40  -7.880  -1.518  -5.591
  284    HB3  GLU  40           3HB      GLU  40  -8.339   0.145  -5.924
  285    HG2  GLU  40           2HG      GLU  40 -10.031   0.069  -4.224
  286    HG3  GLU  40           3HG      GLU  40  -9.720  -1.645  -3.947
  287    H    MET  41           H        MET  41  -9.367   0.462  -8.422
  288    HA   MET  41           HA       MET  41  -7.606  -1.223 -10.061
  289    HB2  MET  41           2HB      MET  41  -8.665  -0.484 -12.108
  290    HB3  MET  41           3HB      MET  41  -9.877  -1.218 -11.067
  291    HG2  MET  41           2HG      MET  41  -9.434   1.749 -11.315
  292    HG3  MET  41           3HG      MET  41 -10.619   0.842 -12.248
  293    HE1  MET  41           3HE      MET  41 -12.716  -0.394 -11.175
  294    HE2  MET  41           1HE      MET  41 -13.016  -0.468  -9.438
  295    HE3  MET  41           2HE      MET  41 -11.614  -1.288 -10.128
  296    H    CYS  42           H        CYS  42  -7.609   1.274  -8.166
  297    HA   CYS  42           HA       CYS  42  -5.688   2.771  -9.742
  298    HB2  CYS  42           2HB      CYS  42  -6.818   4.941  -9.146
  299    HB3  CYS  42           3HB      CYS  42  -7.679   3.959 -10.325
  300    HG   CYS  42           HG       CYS  42  -9.080   5.379  -7.969
  301    H    CYS  43           H        CYS  43  -4.309   4.059  -8.529
  302    HA   CYS  43           HA       CYS  43  -4.194   3.383  -5.672
  303    HB2  CYS  43           2HB      CYS  43  -2.199   2.798  -6.934
  304    HB3  CYS  43           3HB      CYS  43  -2.108   4.418  -7.612
  305    HA   PRO  44           HA       PRO  44  -5.996   7.545  -5.403
  306    HB2  PRO  44           2HB      PRO  44  -6.134   7.483  -2.636
  307    HB3  PRO  44           3HB      PRO  44  -7.392   6.899  -3.730
  308    HG2  PRO  44           2HG      PRO  44  -5.271   5.368  -2.288
  309    HG3  PRO  44           3HG      PRO  44  -6.966   4.934  -2.584
  310    HD2  PRO  44           2HD      PRO  44  -4.975   3.856  -4.019
  311    HD3  PRO  44           3HD      PRO  44  -6.539   4.255  -4.763
  312    H    ILE  45           H        ILE  45  -3.284   6.313  -3.553
  313    HA   ILE  45           HA       ILE  45  -2.303   8.716  -2.505
  314    HB   ILE  45           HB       ILE  45  -0.663   6.320  -3.361
  315   HG12  ILE  45          2HG1      ILE  45  -2.023   6.859  -0.706
  316   HG13  ILE  45          3HG1      ILE  45  -2.570   5.691  -1.904
  317   HG21  ILE  45          1HG2      ILE  45  -0.145   8.438  -1.275
  318   HG22  ILE  45          2HG2      ILE  45   0.680   8.284  -2.826
  319   HG23  ILE  45          3HG2      ILE  45   0.879   7.037  -1.594
  320   HD11  ILE  45          3HD1      ILE  45  -1.365   4.616  -0.085
  321   HD12  ILE  45          1HD1      ILE  45   0.054   5.602  -0.432
  322   HD13  ILE  45          2HD1      ILE  45  -0.511   4.422  -1.616
  323    H    CYS  46           H        CYS  46  -2.147   7.388  -5.706
  324    HA   CYS  46           HA       CYS  46  -0.232   9.480  -6.508
  325    HB2  CYS  46           2HB      CYS  46  -0.945   6.899  -7.921
  326    HB3  CYS  46           3HB      CYS  46   0.226   8.085  -8.486
  327    H    CYS  47           H        CYS  47  -3.470   8.565  -6.639
  328    HA   CYS  47           HA       CYS  47  -5.273   9.085  -7.912
  329    HB2  CYS  47           2HB      CYS  47  -3.560  11.468  -8.662
  330    HB3  CYS  47           3HB      CYS  47  -5.283  11.323  -8.989
  331    HG   CYS  47           HG       CYS  47  -3.708  11.931  -6.055
  332    H    SER  48           H        SER  48  -3.690   7.177  -8.995
  333    HA   SER  48           HA       SER  48  -4.201   7.473 -11.816
  334    HB2  SER  48           2HB      SER  48  -1.900   8.442 -11.493
  335    HB3  SER  48           3HB      SER  48  -1.376   6.866 -10.904
  336    HG   SER  48           HG       SER  48  -1.506   7.687 -13.402
  337    H    GLU  49           H        GLU  49  -3.283   5.304 -12.903
  338    HA   GLU  49           HA       GLU  49  -4.545   3.203 -11.287
  339    HB2  GLU  49           2HB      GLU  49  -4.915   2.092 -13.504
  340    HB3  GLU  49           3HB      GLU  49  -5.737   3.634 -13.308
  341    HG2  GLU  49           2HG      GLU  49  -3.886   4.710 -14.571
  342    HG3  GLU  49           3HG      GLU  49  -3.221   3.104 -14.871
  343    H    TYR  50           H        TYR  50  -3.773   0.956 -12.618
  344    HA   TYR  50           HA       TYR  50  -0.899   0.807 -11.983
  345    HB2  TYR  50           2HB      TYR  50  -3.019  -1.356 -11.842
  346    HB3  TYR  50           3HB      TYR  50  -1.311  -1.588 -11.489
  347    HD1  TYR  50           HD1      TYR  50  -0.312  -0.628  -9.477
  348    HD2  TYR  50           HD2      TYR  50  -4.480  -0.273 -10.248
  349    HE1  TYR  50           HE1      TYR  50  -0.684   0.025  -7.139
  350    HE2  TYR  50           HE2      TYR  50  -4.860   0.383  -7.908
  351    HH   TYR  50           HH       TYR  50  -3.744   0.160  -5.710
  352    H    VAL  51           H        VAL  51   0.493   0.064 -13.483
  353    HA   VAL  51           HA       VAL  51  -0.547  -1.287 -15.882
  354    HB   VAL  51           HB       VAL  51   1.000   0.030 -17.319
  355   HG11  VAL  51          1HG1      VAL  51  -1.369   0.600 -17.219
  356   HG12  VAL  51          2HG1      VAL  51  -0.382   2.045 -17.438
  357   HG13  VAL  51          3HG1      VAL  51  -1.061   1.672 -15.854
  358   HG21  VAL  51          3HG2      VAL  51   1.296   1.774 -14.875
  359   HG22  VAL  51          1HG2      VAL  51   1.895   2.153 -16.489
  360   HG23  VAL  51          2HG2      VAL  51   2.559   0.780 -15.603
  361    H    LYS  52           H        LYS  52   1.595  -1.909 -17.291
  362    HA   LYS  52           HA       LYS  52   2.909  -3.885 -15.822
  363    HB2  LYS  52           2HB      LYS  52   2.822  -4.089 -18.210
  364    HB3  LYS  52           3HB      LYS  52   3.691  -2.576 -18.432
  365    HG2  LYS  52           2HG      LYS  52   5.692  -3.570 -17.450
  366    HG3  LYS  52           3HG      LYS  52   4.823  -5.082 -17.196
  367    HD2  LYS  52           2HD      LYS  52   5.158  -3.847 -19.919
  368    HD3  LYS  52           3HD      LYS  52   6.344  -4.954 -19.225
  369    HE2  LYS  52           2HE      LYS  52   4.540  -6.637 -18.958
  370    HE3  LYS  52           3HE      LYS  52   3.441  -5.536 -19.778
  371    HZ1  LYS  52           3HZ      LYS  52   4.883  -5.632 -21.734
  372    HZ2  LYS  52           1HZ      LYS  52   4.313  -7.169 -21.308
  373    HZ3  LYS  52           2HZ      LYS  52   5.906  -6.722 -20.937
  374    H    GLY  53           H        GLY  53   4.673  -3.965 -14.594
  375    HA2  GLY  53           2HA      GLY  53   6.897  -3.326 -14.019
  376    HA3  GLY  53           3HA      GLY  53   6.573  -1.728 -14.678
  377    H    ASP  54           H        ASP  54   3.866  -2.264 -13.098
  378    HA   ASP  54           HA       ASP  54   4.668  -0.664 -10.852
  379    HB2  ASP  54           2HB      ASP  54   2.101  -1.617 -11.987
  380    HB3  ASP  54           3HB      ASP  54   2.119  -1.270 -10.262
  381    H    VAL  55           H        VAL  55   5.216  -1.320  -8.905
  382    HA   VAL  55           HA       VAL  55   4.803  -4.118  -8.164
  383    HB   VAL  55           HB       VAL  55   6.402  -1.976  -6.743
  384   HG11  VAL  55          1HG1      VAL  55   6.246  -4.951  -6.267
  385   HG12  VAL  55          2HG1      VAL  55   5.593  -3.695  -5.217
  386   HG13  VAL  55          3HG1      VAL  55   7.336  -3.833  -5.443
  387   HG21  VAL  55          3HG2      VAL  55   7.379  -2.546  -8.899
  388   HG22  VAL  55          1HG2      VAL  55   7.319  -4.261  -8.486
  389   HG23  VAL  55          2HG2      VAL  55   8.372  -3.171  -7.582
  390    H    ALA  56           H        ALA  56   2.790  -4.386  -7.443
  391    HA   ALA  56           HA       ALA  56   1.600  -2.378  -5.680
  392    HB1  ALA  56           3HB      ALA  56   0.275  -3.178  -7.586
  393    HB2  ALA  56           1HB      ALA  56  -0.495  -3.559  -6.044
  394    HB3  ALA  56           2HB      ALA  56   0.352  -4.819  -6.943
  395    H    THR  57           H        THR  57   0.434  -3.148  -3.760
  396    HA   THR  57           HA       THR  57   1.431  -5.663  -2.659
  397    HB   THR  57           HB       THR  57   2.916  -3.786  -1.878
  398    HG1  THR  57           HG1      THR  57   2.878  -5.544  -0.565
  399   HG21  THR  57          3HG2      THR  57   1.263  -2.007  -1.696
  400   HG22  THR  57          1HG2      THR  57   2.038  -2.279  -0.136
  401   HG23  THR  57          2HG2      THR  57   0.413  -2.900  -0.435
  402    H    GLU  58           H        GLU  58   0.140  -6.424  -0.852
  403    HA   GLU  58           HA       GLU  58  -2.601  -5.360  -0.956
  404    HB2  GLU  58           2HB      GLU  58  -2.464  -7.545  -2.017
  405    HB3  GLU  58           3HB      GLU  58  -1.668  -8.213  -0.599
  406    HG2  GLU  58           2HG      GLU  58  -3.699  -7.778   0.717
  407    HG3  GLU  58           3HG      GLU  58  -4.493  -7.180  -0.739
  408    H    LEU  59           H        LEU  59  -3.165  -4.417   0.864
  409    HA   LEU  59           HA       LEU  59  -1.847  -4.986   3.363
  410    HB2  LEU  59           2HB      LEU  59  -4.228  -3.245   2.710
  411    HB3  LEU  59           3HB      LEU  59  -3.477  -3.346   4.291
  412    HG   LEU  59           HG       LEU  59  -2.167  -2.309   1.773
  413   HD11  LEU  59          1HD1      LEU  59  -2.214  -0.153   2.935
  414   HD12  LEU  59          2HD1      LEU  59  -3.100  -0.895   4.268
  415   HD13  LEU  59          3HD1      LEU  59  -3.838  -0.787   2.670
  416   HD21  LEU  59          3HD2      LEU  59  -1.117  -2.471   4.597
  417   HD22  LEU  59          1HD2      LEU  59  -0.305  -1.698   3.235
  418   HD23  LEU  59          2HD2      LEU  59  -0.566  -3.442   3.232
  419    HA   PRO  60           HA       PRO  60  -4.380  -8.233   4.909
  420    HB2  PRO  60           2HB      PRO  60  -4.712  -7.404   7.528
  421    HB3  PRO  60           3HB      PRO  60  -3.297  -8.257   6.907
  422    HG2  PRO  60           2HG      PRO  60  -3.698  -5.332   7.367
  423    HG3  PRO  60           3HG      PRO  60  -2.265  -6.332   7.677
  424    HD2  PRO  60           2HD      PRO  60  -2.403  -4.729   5.540
  425    HD3  PRO  60           3HD      PRO  60  -1.624  -6.323   5.447
  426    H    CYS  61           H        CYS  61  -5.492  -4.973   5.005
  427    HA   CYS  61           HA       CYS  61  -8.169  -5.682   5.882
  428    HB2  CYS  61           2HB      CYS  61  -8.662  -3.341   5.729
  429    HB3  CYS  61           3HB      CYS  61  -7.065  -3.484   6.451
  430    H    HIS  62           H        HIS  62  -6.650  -6.429   3.241
  431    HA   HIS  62           HA       HIS  62  -7.163  -6.931   1.106
  432    HB2  HIS  62           2HB      HIS  62  -9.982  -6.531   2.112
  433    HB3  HIS  62           3HB      HIS  62  -9.611  -7.074   0.478
  434    HD1  HIS  62           HD1      HIS  62  -8.583  -9.450   0.214
  435    HD2  HIS  62           HD2      HIS  62  -9.674  -8.453   4.107
  436    HE1  HIS  62           HE1      HIS  62  -8.554 -11.612   1.506
  437    HE2  HIS  62           HE2      HIS  62  -9.299 -11.005   3.837
  438    H    HIS  63           H        HIS  63  -6.009  -5.016   0.579
  439    HA   HIS  63           HA       HIS  63  -7.476  -3.364  -1.239
  440    HB2  HIS  63           2HB      HIS  63  -6.614  -2.288   1.390
  441    HB3  HIS  63           3HB      HIS  63  -6.237  -1.292  -0.011
  442    HD2  HIS  63           HD2      HIS  63  -9.167  -2.070  -1.548
  443    HE1  HIS  63           HE1      HIS  63 -10.750   0.122   1.711
  444    HE2  HIS  63           HE2      HIS  63 -11.116  -0.634  -0.664
  445    H    TYR  64           H        TYR  64  -6.046  -2.210  -2.676
  446    HA   TYR  64           HA       TYR  64  -3.310  -3.328  -2.574
  447    HB2  TYR  64           2HB      TYR  64  -5.100  -2.980  -4.989
  448    HB3  TYR  64           3HB      TYR  64  -3.412  -3.466  -5.058
  449    HD1  TYR  64           HD2      TYR  64  -2.735  -5.652  -4.024
  450    HD2  TYR  64           HD1      TYR  64  -6.810  -4.557  -4.563
  451    HE1  TYR  64           HE2      TYR  64  -3.391  -8.009  -3.799
  452    HE2  TYR  64           HE1      TYR  64  -7.481  -6.915  -4.338
  453    HH   TYR  64           HH       TYR  64  -5.467  -9.279  -3.092
  454    H    PHE  65           H        PHE  65  -1.684  -1.976  -2.875
  455    HA   PHE  65           HA       PHE  65  -2.101   0.612  -4.180
  456    HB2  PHE  65           2HB      PHE  65  -0.745   0.293  -1.484
  457    HB3  PHE  65           3HB      PHE  65  -0.844   1.785  -2.410
  458    HD1  PHE  65           HD2      PHE  65  -3.081   2.856  -2.753
  459    HD2  PHE  65           HD1      PHE  65  -2.483  -0.387  -0.063
  460    HE1  PHE  65           HE2      PHE  65  -5.193   3.411  -1.617
  461    HE2  PHE  65           HE1      PHE  65  -4.591   0.163   1.077
  462    HZ   PHE  65           HZ       PHE  65  -5.951   2.063   0.298
  463    H    HIS  66           H        HIS  66   0.219   1.686  -4.427
  464    HA   HIS  66           HA       HIS  66   2.019  -0.362  -5.416
  465    HB2  HIS  66           2HB      HIS  66   2.398   2.634  -5.230
  466    HB3  HIS  66           3HB      HIS  66   3.541   1.527  -5.967
  467    HD2  HIS  66           HD2      HIS  66   2.115   0.065  -8.240
  468    HE1  HIS  66           HE1      HIS  66   0.171   3.700  -9.242
  469    HE2  HIS  66           HE2      HIS  66   1.025   1.494 -10.109
  470    H    LYS  67           H        LYS  67   3.745  -1.148  -4.333
  471    HA   LYS  67           HA       LYS  67   3.891  -0.889  -1.570
  472    HB2  LYS  67           2HB      LYS  67   4.779  -2.819  -2.769
  473    HB3  LYS  67           3HB      LYS  67   6.049  -1.824  -3.464
  474    HG2  LYS  67           2HG      LYS  67   7.001  -1.453  -1.267
  475    HG3  LYS  67           3HG      LYS  67   5.691  -2.376  -0.525
  476    HD2  LYS  67           2HD      LYS  67   6.407  -4.387  -1.642
  477    HD3  LYS  67           3HD      LYS  67   7.630  -3.491  -2.549
  478    HE2  LYS  67           2HE      LYS  67   8.768  -2.936  -0.448
  479    HE3  LYS  67           3HE      LYS  67   7.551  -3.846   0.446
  480    HZ1  LYS  67           3HZ      LYS  67   9.204  -5.092  -1.674
  481    HZ2  LYS  67           1HZ      LYS  67   8.296  -5.855  -0.461
  482    HZ3  LYS  67           2HZ      LYS  67   9.715  -5.017  -0.055
  483    HA   PRO  68           HA       PRO  68   7.798   2.038  -2.212
  484    HB2  PRO  68           2HB      PRO  68   6.876   3.377  -4.707
  485    HB3  PRO  68           3HB      PRO  68   8.517   2.988  -4.176
  486    HG2  PRO  68           2HG      PRO  68   7.364   1.538  -6.063
  487    HG3  PRO  68           3HG      PRO  68   8.323   0.750  -4.794
  488    HD2  PRO  68           2HD      PRO  68   5.347   0.957  -5.068
  489    HD3  PRO  68           3HD      PRO  68   6.336  -0.425  -4.557
  490    H    CYS  69           H        CYS  69   4.675   3.237  -3.539
  491    HA   CYS  69           HA       CYS  69   5.052   5.781  -2.283
  492    HB2  CYS  69           2HB      CYS  69   2.760   6.304  -3.071
  493    HB3  CYS  69           3HB      CYS  69   3.821   5.740  -4.350
  494    H    VAL  70           H        VAL  70   3.316   2.838  -1.432
  495    HA   VAL  70           HA       VAL  70   1.893   4.067   0.723
  496    HB   VAL  70           HB       VAL  70   1.233   1.898  -0.422
  497   HG11  VAL  70          1HG1      VAL  70   3.321   0.737   1.413
  498   HG12  VAL  70          2HG1      VAL  70   3.379   0.764  -0.351
  499   HG13  VAL  70          3HG1      VAL  70   2.141  -0.180   0.477
  500   HG21  VAL  70          3HG2      VAL  70   1.352   1.919   2.591
  501   HG22  VAL  70          1HG2      VAL  70   0.253   0.953   1.606
  502   HG23  VAL  70          2HG2      VAL  70   0.134   2.712   1.591
  503    H    SER  71           H        SER  71   5.069   2.761   0.291
  504    HA   SER  71           HA       SER  71   5.801   2.315   2.958
  505    HB2  SER  71           2HB      SER  71   7.515   3.292   0.654
  506    HB3  SER  71           3HB      SER  71   8.129   2.649   2.177
  507    HG   SER  71           HG       SER  71   6.452   1.225   0.373
  508    H    ILE  72           H        ILE  72   5.879   5.250   0.980
  509    HA   ILE  72           HA       ILE  72   7.063   6.918   2.942
  510    HB   ILE  72           HB       ILE  72   5.268   7.676   0.627
  511   HG12  ILE  72          2HG1      ILE  72   8.290   7.651   0.825
  512   HG13  ILE  72          3HG1      ILE  72   7.328   6.443  -0.021
  513   HG21  ILE  72          1HG2      ILE  72   7.122   9.360   2.305
  514   HG22  ILE  72          2HG2      ILE  72   5.360   9.461   2.264
  515   HG23  ILE  72          3HG2      ILE  72   6.306   9.906   0.840
  516   HD11  ILE  72          3HD1      ILE  72   7.497   9.370  -0.705
  517   HD12  ILE  72          1HD1      ILE  72   6.522   8.167  -1.553
  518   HD13  ILE  72          2HD1      ILE  72   8.280   8.046  -1.567
  519    H    TRP  73           H        TRP  73   3.732   6.188   2.059
  520    HA   TRP  73           HA       TRP  73   2.494   8.104   3.709
  521    HB2  TRP  73           2HB      TRP  73   1.328   7.072   1.844
  522    HB3  TRP  73           3HB      TRP  73   1.447   5.489   2.606
  523    HD1  TRP  73           HD1      TRP  73  -0.506   4.792   4.123
  524    HE1  TRP  73           HE1      TRP  73  -2.593   5.957   5.070
  525    HE3  TRP  73           HE3      TRP  73   0.539   9.589   2.696
  526    HZ2  TRP  73           HZ2      TRP  73  -3.654   8.574   5.192
  527    HZ3  TRP  73           HZ3      TRP  73  -1.064  11.364   3.265
  528    HH2  TRP  73           HH2      TRP  73  -3.119  10.865   4.488
  529    H    LEU  74           H        LEU  74   3.232   4.665   4.238
  530    HA   LEU  74           HA       LEU  74   1.915   4.499   6.739
  531    HB2  LEU  74           2HB      LEU  74   4.092   2.782   5.556
  532    HB3  LEU  74           3HB      LEU  74   3.208   2.391   7.019
  533    HG   LEU  74           HG       LEU  74   1.996   2.670   4.269
  534   HD11  LEU  74          1HD1      LEU  74   2.554   0.231   5.949
  535   HD12  LEU  74          2HD1      LEU  74   3.387   0.688   4.463
  536   HD13  LEU  74          3HD1      LEU  74   1.680   0.248   4.418
  537   HD21  LEU  74          3HD2      LEU  74   0.444   3.319   6.039
  538   HD22  LEU  74          1HD2      LEU  74   0.764   1.804   6.884
  539   HD23  LEU  74          2HD2      LEU  74  -0.032   1.784   5.311
  540    H    GLN  75           H        GLN  75   5.032   5.691   5.848
  541    HA   GLN  75           HA       GLN  75   6.137   5.506   8.511
  542    HB2  GLN  75           2HB      GLN  75   7.052   6.912   6.004
  543    HB3  GLN  75           3HB      GLN  75   7.921   7.016   7.528
  544    HG2  GLN  75           2HG      GLN  75   8.284   4.624   7.518
  545    HG3  GLN  75           3HG      GLN  75   7.344   4.470   6.033
  546   HE21  GLN  75          1HE2      GLN  75   8.207   5.181   4.106
  547   HE22  GLN  75          2HE2      GLN  75   9.895   5.540   3.909
  548    H    LYS  76           H        LYS  76   3.859   7.426   7.076
  549    HA   LYS  76           HA       LYS  76   4.474   9.724   8.798
  550    HB2  LYS  76           2HB      LYS  76   4.390  10.318   6.463
  551    HB3  LYS  76           3HB      LYS  76   2.838   9.522   6.268
  552    HG2  LYS  76           2HG      LYS  76   1.687  11.214   7.326
  553    HG3  LYS  76           3HG      LYS  76   3.116  11.786   8.189
  554    HD2  LYS  76           2HD      LYS  76   2.337  13.265   6.303
  555    HD3  LYS  76           3HD      LYS  76   4.024  12.759   6.221
  556    HE2  LYS  76           2HE      LYS  76   3.358  10.962   4.647
  557    HE3  LYS  76           3HE      LYS  76   1.714  11.588   4.675
  558    HZ1  LYS  76           3HZ      LYS  76   2.529  13.683   3.781
  559    HZ2  LYS  76           1HZ      LYS  76   2.945  12.397   2.754
  560    HZ3  LYS  76           2HZ      LYS  76   4.115  13.085   3.770
  561    H    SER  77           H        SER  77   1.716   7.824   7.563
  562    HA   SER  77           HA       SER  77   0.548   7.925  10.239
  563    HB2  SER  77           2HB      SER  77  -0.474   9.798   8.935
  564    HB3  SER  77           3HB      SER  77  -1.038   8.625   7.750
  565    HG   SER  77           HG       SER  77  -2.490   7.861   9.155
  566    H    GLY  78           H        GLY  78   0.250   5.869  10.783
  567    HA2  GLY  78           2HA      GLY  78   0.174   3.773   8.826
  568    HA3  GLY  78           3HA      GLY  78   0.014   3.581  10.565
  569    H    THR  79           H        THR  79  -1.770   4.712   7.718
  570    HA   THR  79           HA       THR  79  -4.160   3.355   8.709
  571    HB   THR  79           HB       THR  79  -4.453   6.182   7.729
  572    HG1  THR  79           HG1      THR  79  -3.212   5.455  10.004
  573   HG21  THR  79          3HG2      THR  79  -6.082   4.462   9.597
  574   HG22  THR  79          1HG2      THR  79  -6.442   4.775   7.900
  575   HG23  THR  79          2HG2      THR  79  -6.495   6.094   9.069
  576    H    CYS  80           H        CYS  80  -5.336   2.491   7.048
  577    HA   CYS  80           HA       CYS  80  -4.325   2.668   4.366
  578    HB2  CYS  80           2HB      CYS  80  -5.376   0.613   5.269
  579    HB3  CYS  80           3HB      CYS  80  -6.902   1.463   5.415
  580    HA   PRO  81           HA       PRO  81  -6.246   6.660   3.847
  581    HB2  PRO  81           2HB      PRO  81  -6.017   6.706   1.070
  582    HB3  PRO  81           3HB      PRO  81  -4.808   7.277   2.222
  583    HG2  PRO  81           2HG      PRO  81  -4.971   4.670   0.779
  584    HG3  PRO  81           3HG      PRO  81  -3.547   5.646   1.180
  585    HD2  PRO  81           2HD      PRO  81  -4.149   3.440   2.566
  586    HD3  PRO  81           3HD      PRO  81  -3.487   4.878   3.374
  587    H    VAL  82           H        VAL  82  -7.264   3.901   1.902
  588    HA   VAL  82           HA       VAL  82  -9.597   5.169   0.870
  589    HB   VAL  82           HB       VAL  82  -8.944   2.222   0.987
  590   HG11  VAL  82          1HG1      VAL  82 -11.321   2.659   0.603
  591   HG12  VAL  82          2HG1      VAL  82 -10.546   1.997  -0.836
  592   HG13  VAL  82          3HG1      VAL  82 -10.908   3.720  -0.743
  593   HG21  VAL  82          3HG2      VAL  82  -7.226   3.488  -0.187
  594   HG22  VAL  82          1HG2      VAL  82  -8.458   4.253  -1.191
  595   HG23  VAL  82          2HG2      VAL  82  -8.169   2.518  -1.320
  596    H    CYS  83           H        CYS  83  -9.162   2.659   3.403
  597    HA   CYS  83           HA       CYS  83 -12.004   2.986   4.055
  598    HB2  CYS  83           2HB      CYS  83 -11.816   0.828   5.241
  599    HB3  CYS  83           3HB      CYS  83 -11.368   0.699   3.545
  600    H    ARG  84           H        ARG  84  -8.892   3.682   5.191
  601    HA   ARG  84           HA       ARG  84  -8.132   4.881   6.921
  602    HB2  ARG  84           2HB      ARG  84 -11.049   5.305   7.547
  603    HB3  ARG  84           3HB      ARG  84  -9.723   6.142   8.343
  604    HG2  ARG  84           2HG      ARG  84  -9.032   7.112   6.233
  605    HG3  ARG  84           3HG      ARG  84 -10.305   6.231   5.390
  606    HD2  ARG  84           2HD      ARG  84 -11.983   7.441   6.736
  607    HD3  ARG  84           3HD      ARG  84 -10.680   8.365   7.486
  608    HE   ARG  84           HE       ARG  84 -10.165   9.035   5.071
  609   HH11  ARG  84          1HH1      ARG  84 -13.378   8.426   6.316
  610   HH12  ARG  84          2HH1      ARG  84 -14.164   9.438   5.138
  611   HH21  ARG  84          1HH2      ARG  84 -11.180  10.361   3.528
  612   HH22  ARG  84          2HH2      ARG  84 -12.907  10.558   3.570
  613    H    CYS  85           H        CYS  85  -8.881   1.972   7.121
  614    HA   CYS  85           HA       CYS  85  -9.013   1.559   9.966
  615    HB2  CYS  85           2HB      CYS  85  -8.271  -0.348   7.733
  616    HB3  CYS  85           3HB      CYS  85  -8.564  -0.804   9.409
  617    HG   CYS  85           HG       CYS  85 -11.264   0.304   9.228
  618    H    MET  86           H        MET  86  -7.278   0.766  11.248
  619    HA   MET  86           HA       MET  86  -4.884   2.246  10.724
  620    HB2  MET  86           2HB      MET  86  -5.912   2.100  12.965
  621    HB3  MET  86           3HB      MET  86  -5.547   0.381  13.006
  622    HG2  MET  86           2HG      MET  86  -3.180   0.841  12.980
  623    HG3  MET  86           3HG      MET  86  -3.490   2.568  12.804
  624    HE1  MET  86           3HE      MET  86  -5.398  -0.041  15.060
  625    HE2  MET  86           1HE      MET  86  -4.520   0.120  16.581
  626    HE3  MET  86           2HE      MET  86  -3.713  -0.552  15.163
  627    H    PHE  87           H        PHE  87  -2.848   1.536  10.343
  628    HA   PHE  87           HA       PHE  87  -2.324  -1.345  10.253
  629    HB2  PHE  87           2HB      PHE  87  -2.762  -0.633   7.920
  630    HB3  PHE  87           3HB      PHE  87  -1.514   0.600   8.071
  631    HD1  PHE  87           HD1      PHE  87  -2.145  -3.023   7.915
  632    HD2  PHE  87           HD2      PHE  87   0.790   0.056   7.859
  633    HE1  PHE  87           HE1      PHE  87  -0.457  -4.651   7.174
  634    HE2  PHE  87           HE2      PHE  87   2.485  -1.567   7.117
  635    HZ   PHE  87           HZ       PHE  87   1.861  -3.923   6.774
  636    HA   PRO  88           HA       PRO  88  -0.381  -2.828  10.551
  637    HB2  PRO  88           2HB      PRO  88   0.087  -2.850  13.488
  638    HB3  PRO  88           3HB      PRO  88   0.775  -3.881  12.230
  639    HG2  PRO  88           2HG      PRO  88   2.239  -1.969  13.346
  640    HG3  PRO  88           3HG      PRO  88   2.349  -2.292  11.604
  641    HD2  PRO  88           2HD      PRO  88   0.918  -0.091  13.040
  642    HD3  PRO  88           3HD      PRO  88   1.852  -0.031  11.532
  643    HA   PRO  89           HA       PRO  89  -4.638  -3.018  11.488
  644    HB2  PRO  89           2HB      PRO  89  -4.914  -5.738  11.841
  645    HB3  PRO  89           3HB      PRO  89  -4.833  -4.935  10.270
  646    HG2  PRO  89           2HG      PRO  89  -2.673  -6.323  11.806
  647    HG3  PRO  89           3HG      PRO  89  -3.025  -6.376  10.067
  648    HD2  PRO  89           2HD      PRO  89  -1.033  -4.872  11.035
  649    HD3  PRO  89           3HD      PRO  89  -2.032  -4.314   9.676
  650    HA   PRO  90           HA       PRO  90  -5.077  -3.082  15.875
  651    HB2  PRO  90           2HB      PRO  90  -7.930  -3.592  15.572
  652    HB3  PRO  90           3HB      PRO  90  -7.111  -2.132  16.129
  653    HG2  PRO  90           2HG      PRO  90  -8.407  -2.287  13.757
  654    HG3  PRO  90           3HG      PRO  90  -7.015  -1.226  14.029
  655    HD2  PRO  90           2HD      PRO  90  -7.146  -3.869  12.637
  656    HD3  PRO  90           3HD      PRO  90  -6.197  -2.423  12.231
  657    H    LEU  91           H        LEU  91  -6.366  -4.346  17.593
  658    HA   LEU  91           HA       LEU  91  -5.531  -7.055  17.435
  659    HB2  LEU  91           2HB      LEU  91  -7.286  -5.656  19.453
  660    HB3  LEU  91           3HB      LEU  91  -6.650  -7.279  19.642
  661    HG   LEU  91           HG       LEU  91  -4.984  -4.767  19.447
  662   HD11  LEU  91          1HD1      LEU  91  -5.619  -6.537  21.806
  663   HD12  LEU  91          2HD1      LEU  91  -6.227  -4.902  21.543
  664   HD13  LEU  91          3HD1      LEU  91  -4.505  -5.169  21.810
  665   HD21  LEU  91          3HD2      LEU  91  -3.846  -6.719  18.528
  666   HD22  LEU  91          1HD2      LEU  91  -4.198  -7.627  19.999
  667   HD23  LEU  91          2HD2      LEU  91  -3.122  -6.231  20.061
  Start of MODEL   12
    1    H1   MET   1           1H       MET   1  -6.018  13.569  -9.082
    2    H2   MET   1           2H       MET   1  -4.950  14.855  -9.370
    3    H3   MET   1           3H       MET   1  -5.295  13.749 -10.609
    4    HA   MET   1           HA       MET   1  -6.476  15.811 -10.960
    5    HB2  MET   1           2HB      MET   1  -8.263  13.520 -10.111
    6    HB3  MET   1           3HB      MET   1  -8.774  14.882 -11.097
    7    HG2  MET   1           2HG      MET   1  -7.174  14.212 -12.829
    8    HG3  MET   1           3HG      MET   1  -6.702  12.830 -11.843
    9    HE1  MET   1           3HE      MET   1 -10.883  13.385 -13.719
   10    HE2  MET   1           1HE      MET   1  -9.535  14.495 -13.971
   11    HE3  MET   1           2HE      MET   1 -10.294  14.373 -12.384
   12    H    GLY   2           H        GLY   2  -8.788  16.718 -10.192
   13    HA2  GLY   2           2HA      GLY   2  -8.401  17.452  -7.370
   14    HA3  GLY   2           3HA      GLY   2  -9.321  18.373  -8.554
   15    H    HIS   3           H        HIS   3 -10.250  15.408  -9.254
   16    HA   HIS   3           HA       HIS   3 -12.742  15.590  -7.875
   17    HB2  HIS   3           2HB      HIS   3 -12.465  14.628 -10.171
   18    HB3  HIS   3           3HB      HIS   3 -11.638  13.253  -9.450
   19    HD1  HIS   3           HD1      HIS   3 -13.103  11.303  -8.990
   20    HD2  HIS   3           HD2      HIS   3 -15.230  14.884  -9.037
   21    HE1  HIS   3           HE1      HIS   3 -15.515  10.666  -8.688
   22    HE2  HIS   3           HE2      HIS   3 -16.798  12.829  -8.887
   23    H    HIS   4           H        HIS   4 -12.704  15.301  -5.733
   24    HA   HIS   4           HA       HIS   4 -11.257  12.951  -4.676
   25    HB2  HIS   4           2HB      HIS   4 -10.408  15.285  -4.053
   26    HB3  HIS   4           3HB      HIS   4 -11.891  15.468  -3.128
   27    HD1  HIS   4           HD1      HIS   4  -8.751  15.230  -2.185
   28    HD2  HIS   4           HD2      HIS   4 -11.839  12.492  -1.657
   29    HE1  HIS   4           HE1      HIS   4  -8.082  13.822  -0.211
   30    HE2  HIS   4           HE2      HIS   4 -10.068  12.328   0.224
   31    H    HIS   5           H        HIS   5 -12.702  11.406  -4.233
   32    HA   HIS   5           HA       HIS   5 -15.425  11.920  -3.548
   33    HB2  HIS   5           2HB      HIS   5 -14.605   9.802  -4.616
   34    HB3  HIS   5           3HB      HIS   5 -13.843   9.377  -3.088
   35    HD1  HIS   5           HD1      HIS   5 -15.271   8.222  -1.379
   36    HD2  HIS   5           HD2      HIS   5 -17.502   9.873  -4.482
   37    HE1  HIS   5           HE1      HIS   5 -17.630   7.403  -1.036
   38    HE2  HIS   5           HE2      HIS   5 -18.987   8.528  -2.844
   39    H    HIS   6           H        HIS   6 -16.420  11.922  -1.532
   40    HA   HIS   6           HA       HIS   6 -14.533  12.549   0.630
   41    HB2  HIS   6           2HB      HIS   6 -17.466  13.268   0.431
   42    HB3  HIS   6           3HB      HIS   6 -16.314  13.863   1.623
   43    HD1  HIS   6           HD1      HIS   6 -14.791  15.803   0.933
   44    HD2  HIS   6           HD2      HIS   6 -17.191  14.377  -2.153
   45    HE1  HIS   6           HE1      HIS   6 -14.553  17.465  -0.942
   46    HE2  HIS   6           HE2      HIS   6 -15.854  16.467  -2.861
   47    H    HIS   7           H        HIS   7 -14.536  11.515   2.523
   48    HA   HIS   7           HA       HIS   7 -16.660   9.541   3.044
   49    HB2  HIS   7           2HB      HIS   7 -14.611   8.399   2.201
   50    HB3  HIS   7           3HB      HIS   7 -13.703   9.096   3.537
   51    HD1  HIS   7           HD1      HIS   7 -16.030   6.335   2.673
   52    HD2  HIS   7           HD2      HIS   7 -14.287   7.966   6.086
   53    HE1  HIS   7           HE1      HIS   7 -16.400   4.649   4.504
   54    HE2  HIS   7           HE2      HIS   7 -15.314   5.636   6.556
   55    H    HIS   8           H        HIS   8 -17.705  10.581   4.621
   56    HA   HIS   8           HA       HIS   8 -16.552  12.393   6.435
   57    HB2  HIS   8           2HB      HIS   8 -19.035  12.040   5.697
   58    HB3  HIS   8           3HB      HIS   8 -19.089  10.912   7.046
   59    HD1  HIS   8           HD1      HIS   8 -20.875  13.354   7.136
   60    HD2  HIS   8           HD2      HIS   8 -17.023  13.300   8.698
   61    HE1  HIS   8           HE1      HIS   8 -20.801  15.218   8.823
   62    HE2  HIS   8           HE2      HIS   8 -18.392  15.316   9.561
   63    H    SER   9           H        SER   9 -15.039  11.816   7.850
   64    HA   SER   9           HA       SER   9 -15.676   9.867   9.883
   65    HB2  SER   9           2HB      SER   9 -13.392   8.748   9.526
   66    HB3  SER   9           3HB      SER   9 -14.664   8.339   8.376
   67    HG   SER   9           HG       SER   9 -13.745   9.985   6.987
   68    H    HIS  10           H        HIS  10 -14.108   9.942  11.674
   69    HA   HIS  10           HA       HIS  10 -13.358  12.603  12.308
   70    HB2  HIS  10           2HB      HIS  10 -12.714   9.962  13.616
   71    HB3  HIS  10           3HB      HIS  10 -12.138  11.497  14.253
   72    HD1  HIS  10           HD1      HIS  10 -14.031  13.179  15.105
   73    HD2  HIS  10           HD2      HIS  10 -15.270   9.288  14.321
   74    HE1  HIS  10           HE1      HIS  10 -16.247  12.931  16.255
   75    HE2  HIS  10           HE2      HIS  10 -16.819  10.491  16.009
   76    H    MET  11           H        MET  11 -11.524  13.696  11.970
   77    HA   MET  11           HA       MET  11  -9.394  12.344  10.515
   78    HB2  MET  11           2HB      MET  11  -9.981  15.249  11.065
   79    HB3  MET  11           3HB      MET  11  -8.474  14.716  10.332
   80    HG2  MET  11           2HG      MET  11 -11.224  14.218   9.219
   81    HG3  MET  11           3HG      MET  11 -10.106  15.467   8.673
   82    HE1  MET  11           3HE      MET  11  -7.154  13.312   7.233
   83    HE2  MET  11           1HE      MET  11  -7.309  13.920   8.880
   84    HE3  MET  11           2HE      MET  11  -7.757  14.945   7.516
   85    H    VAL  12           H        VAL  12  -8.567  11.105  12.244
   86    HA   VAL  12           HA       VAL  12  -7.125  12.653  14.278
   87    HB   VAL  12           HB       VAL  12  -6.749  10.447  15.400
   88   HG11  VAL  12          1HG1      VAL  12  -9.038  10.226  16.249
   89   HG12  VAL  12          2HG1      VAL  12  -9.628  11.199  14.902
   90   HG13  VAL  12          3HG1      VAL  12  -8.558  11.917  16.107
   91   HG21  VAL  12          3HG2      VAL  12  -8.679   9.440  13.311
   92   HG22  VAL  12          1HG2      VAL  12  -8.117   8.532  14.714
   93   HG23  VAL  12          2HG2      VAL  12  -6.978   8.998  13.450
   94    H    ALA  13           H        ALA  13  -4.942  12.680  14.354
   95    HA   ALA  13           HA       ALA  13  -3.522  11.734  12.039
   96    HB1  ALA  13           3HB      ALA  13  -2.987  13.903  13.047
   97    HB2  ALA  13           1HB      ALA  13  -1.585  12.834  13.011
   98    HB3  ALA  13           2HB      ALA  13  -2.464  13.083  14.519
   99    H    ASN  14           H        ASN  14  -3.544   9.541  12.074
  100    HA   ASN  14           HA       ASN  14  -2.897   8.007  14.404
  101    HB2  ASN  14           2HB      ASN  14  -4.417   7.266  12.522
  102    HB3  ASN  14           3HB      ASN  14  -2.978   7.066  11.530
  103   HD21  ASN  14          1HD2      ASN  14  -1.519   5.394  12.025
  104   HD22  ASN  14          2HD2      ASN  14  -1.983   4.064  13.024
  105    HA   PRO  15           HA       PRO  15   1.554   8.065  14.208
  106    HB2  PRO  15           2HB      PRO  15   1.250   5.247  15.129
  107    HB3  PRO  15           3HB      PRO  15   2.210   6.559  15.821
  108    HG2  PRO  15           2HG      PRO  15  -0.056   5.792  16.975
  109    HG3  PRO  15           3HG      PRO  15   0.380   7.509  16.889
  110    HD2  PRO  15           2HD      PRO  15  -1.603   5.971  15.269
  111    HD3  PRO  15           3HD      PRO  15  -1.694   7.634  15.884
  112    HA   PRO  16           HA       PRO  16   2.694   6.034  10.444
  113    HB2  PRO  16           2HB      PRO  16   5.350   5.611  10.861
  114    HB3  PRO  16           3HB      PRO  16   4.666   7.198  10.494
  115    HG2  PRO  16           2HG      PRO  16   5.448   6.036  13.138
  116    HG3  PRO  16           3HG      PRO  16   5.725   7.670  12.506
  117    HD2  PRO  16           2HD      PRO  16   3.740   7.118  14.253
  118    HD3  PRO  16           3HD      PRO  16   3.578   8.360  12.996
  119    H    ALA  17           H        ALA  17   3.614   4.059   9.549
  120    HA   ALA  17           HA       ALA  17   3.039   1.765  11.252
  121    HB1  ALA  17           3HB      ALA  17   2.040   1.856   9.020
  122    HB2  ALA  17           1HB      ALA  17   3.119   0.469   9.182
  123    HB3  ALA  17           2HB      ALA  17   3.650   1.902   8.300
  124    H    SER  18           H        SER  18   4.502  -0.009  11.445
  125    HA   SER  18           HA       SER  18   7.202   0.759  11.855
  126    HB2  SER  18           2HB      SER  18   6.012  -2.025  11.797
  127    HB3  SER  18           3HB      SER  18   7.539  -1.548  12.546
  128    HG   SER  18           HG       SER  18   6.193  -0.061  13.845
  129    H    LYS  19           H        LYS  19   8.990   0.419  10.652
  130    HA   LYS  19           HA       LYS  19   8.732   0.331   7.865
  131    HB2  LYS  19           2HB      LYS  19  10.594   1.422   9.024
  132    HB3  LYS  19           3HB      LYS  19  11.175  -0.132   9.593
  133    HG2  LYS  19           2HG      LYS  19  10.913   0.320   6.660
  134    HG3  LYS  19           3HG      LYS  19  12.264   1.051   7.526
  135    HD2  LYS  19           2HD      LYS  19  11.577  -1.891   7.565
  136    HD3  LYS  19           3HD      LYS  19  12.811  -1.158   6.539
  137    HE2  LYS  19           2HE      LYS  19  12.797  -1.027   9.552
  138    HE3  LYS  19           3HE      LYS  19  13.710  -2.205   8.609
  139    HZ1  LYS  19           3HZ      LYS  19  14.036   0.729   8.297
  140    HZ2  LYS  19           1HZ      LYS  19  15.029  -0.498   7.676
  141    HZ3  LYS  19           2HZ      LYS  19  14.984  -0.205   9.346
  142    H    GLU  20           H        GLU  20   9.526  -2.172  10.200
  143    HA   GLU  20           HA       GLU  20  10.379  -4.177   8.448
  144    HB2  GLU  20           2HB      GLU  20   8.923  -4.411  11.091
  145    HB3  GLU  20           3HB      GLU  20   9.691  -5.754  10.260
  146    HG2  GLU  20           2HG      GLU  20  11.136  -5.003  12.000
  147    HG3  GLU  20           3HG      GLU  20  11.859  -4.578  10.452
  148    H    SER  21           H        SER  21   7.141  -3.420   9.666
  149    HA   SER  21           HA       SER  21   5.791  -5.538   8.404
  150    HB2  SER  21           2HB      SER  21   4.644  -2.822   9.085
  151    HB3  SER  21           3HB      SER  21   3.777  -4.356   8.974
  152    HG   SER  21           HG       SER  21   4.242  -4.641  10.996
  153    H    ILE  22           H        ILE  22   6.711  -2.331   7.336
  154    HA   ILE  22           HA       ILE  22   5.172  -2.316   4.937
  155    HB   ILE  22           HB       ILE  22   7.677  -0.746   5.580
  156   HG12  ILE  22          2HG1      ILE  22   4.778   0.058   5.916
  157   HG13  ILE  22          3HG1      ILE  22   5.837  -0.435   7.233
  158   HG21  ILE  22          1HG2      ILE  22   5.508  -0.250   3.543
  159   HG22  ILE  22          2HG2      ILE  22   7.154  -0.778   3.200
  160   HG23  ILE  22          3HG2      ILE  22   6.867   0.822   3.882
  161   HD11  ILE  22          3HD1      ILE  22   7.295   1.476   6.758
  162   HD12  ILE  22          1HD1      ILE  22   5.646   1.975   7.137
  163   HD13  ILE  22          2HD1      ILE  22   6.204   1.973   5.464
  164    H    ASP  23           H        ASP  23   8.538  -3.119   5.713
  165    HA   ASP  23           HA       ASP  23   9.322  -3.693   3.053
  166    HB2  ASP  23           2HB      ASP  23  10.981  -3.262   4.788
  167    HB3  ASP  23           3HB      ASP  23  10.464  -4.697   5.670
  168    H    ALA  24           H        ALA  24   7.919  -5.616   5.625
  169    HA   ALA  24           HA       ALA  24   8.197  -8.120   4.264
  170    HB1  ALA  24           3HB      ALA  24   6.478  -7.397   6.632
  171    HB2  ALA  24           1HB      ALA  24   8.143  -7.974   6.704
  172    HB3  ALA  24           2HB      ALA  24   6.870  -9.029   6.090
  173    H    LEU  25           H        LEU  25   6.302  -5.578   3.506
  174    HA   LEU  25           HA       LEU  25   3.824  -6.852   2.948
  175    HB2  LEU  25           2HB      LEU  25   5.128  -4.352   1.895
  176    HB3  LEU  25           3HB      LEU  25   3.568  -4.900   1.317
  177    HG   LEU  25           HG       LEU  25   4.206  -4.170   4.178
  178   HD11  LEU  25          1HD1      LEU  25   2.631  -2.707   2.063
  179   HD12  LEU  25          2HD1      LEU  25   4.198  -2.226   2.714
  180   HD13  LEU  25          3HD1      LEU  25   2.774  -2.230   3.755
  181   HD21  LEU  25          3HD2      LEU  25   2.486  -5.892   4.013
  182   HD22  LEU  25          1HD2      LEU  25   1.597  -4.907   2.851
  183   HD23  LEU  25          2HD2      LEU  25   1.789  -4.353   4.515
  184    HA   PRO  26           HA       PRO  26   5.018  -9.439  -0.439
  185    HB2  PRO  26           2HB      PRO  26   2.527  -9.556  -1.633
  186    HB3  PRO  26           3HB      PRO  26   3.050 -10.571  -0.288
  187    HG2  PRO  26           2HG      PRO  26   1.405  -8.083  -0.252
  188    HG3  PRO  26           3HG      PRO  26   1.212  -9.567   0.698
  189    HD2  PRO  26           2HD      PRO  26   2.290  -7.360   1.765
  190    HD3  PRO  26           3HD      PRO  26   2.893  -8.978   2.186
  191    H    GLU  27           H        GLU  27   5.830  -9.063  -2.417
  192    HA   GLU  27           HA       GLU  27   5.149  -6.497  -3.666
  193    HB2  GLU  27           2HB      GLU  27   7.523  -8.228  -4.347
  194    HB3  GLU  27           3HB      GLU  27   7.303  -6.509  -4.656
  195    HG2  GLU  27           2HG      GLU  27   7.274  -6.184  -2.158
  196    HG3  GLU  27           3HG      GLU  27   7.796  -7.858  -2.019
  197    H    ILE  28           H        ILE  28   3.533  -6.775  -5.052
  198    HA   ILE  28           HA       ILE  28   3.463  -9.198  -6.717
  199    HB   ILE  28           HB       ILE  28   1.275  -7.190  -6.140
  200   HG12  ILE  28          2HG1      ILE  28   1.652 -10.007  -5.097
  201   HG13  ILE  28          3HG1      ILE  28   1.941  -8.538  -4.170
  202   HG21  ILE  28          1HG2      ILE  28   0.987  -8.246  -8.312
  203   HG22  ILE  28          2HG2      ILE  28  -0.225  -8.832  -7.173
  204   HG23  ILE  28          3HG2      ILE  28   1.165  -9.839  -7.578
  205   HD11  ILE  28          3HD1      ILE  28  -0.709  -9.413  -5.298
  206   HD12  ILE  28          1HD1      ILE  28  -0.415  -7.954  -4.351
  207   HD13  ILE  28          2HD1      ILE  28  -0.200  -9.541  -3.613
  208    H    LEU  29           H        LEU  29   3.717  -9.076  -8.871
  209    HA   LEU  29           HA       LEU  29   4.502  -6.558 -10.031
  210    HB2  LEU  29           2HB      LEU  29   5.669  -8.645 -10.605
  211    HB3  LEU  29           3HB      LEU  29   4.187  -9.286 -11.288
  212    HG   LEU  29           HG       LEU  29   4.233  -7.462 -12.984
  213   HD11  LEU  29          1HD1      LEU  29   6.308  -6.202 -13.292
  214   HD12  LEU  29          2HD1      LEU  29   6.947  -6.898 -11.803
  215   HD13  LEU  29          3HD1      LEU  29   5.543  -5.833 -11.747
  216   HD21  LEU  29          3HD2      LEU  29   6.676  -9.225 -12.874
  217   HD22  LEU  29          1HD2      LEU  29   6.052  -8.422 -14.314
  218   HD23  LEU  29          2HD2      LEU  29   5.097  -9.672 -13.518
  219    H    VAL  30           H        VAL  30   3.186  -5.173 -10.975
  220    HA   VAL  30           HA       VAL  30   0.429  -5.935 -11.496
  221    HB   VAL  30           HB       VAL  30   1.752  -3.238 -11.837
  222   HG11  VAL  30          1HG1      VAL  30  -1.164  -3.969 -11.594
  223   HG12  VAL  30          2HG1      VAL  30  -0.341  -3.533 -13.093
  224   HG13  VAL  30          3HG1      VAL  30  -0.496  -2.348 -11.796
  225   HG21  VAL  30          3HG2      VAL  30   1.928  -3.977  -9.530
  226   HG22  VAL  30          1HG2      VAL  30   0.201  -4.336  -9.495
  227   HG23  VAL  30          2HG2      VAL  30   0.752  -2.671  -9.672
  228    H    THR  31           H        THR  31  -0.420  -6.292 -13.457
  229    HA   THR  31           HA       THR  31   1.125  -5.487 -15.823
  230    HB   THR  31           HB       THR  31   0.265  -7.562 -16.955
  231    HG1  THR  31           HG1      THR  31  -0.220  -8.532 -14.319
  232   HG21  THR  31          3HG2      THR  31   2.570  -7.439 -16.149
  233   HG22  THR  31          1HG2      THR  31   1.927  -9.071 -15.957
  234   HG23  THR  31          2HG2      THR  31   2.053  -8.002 -14.560
  235    H    GLU  32           H        GLU  32  -0.129  -4.983 -17.682
  236    HA   GLU  32           HA       GLU  32  -2.735  -3.910 -17.031
  237    HB2  GLU  32           2HB      GLU  32  -0.982  -3.750 -19.476
  238    HB3  GLU  32           3HB      GLU  32  -2.602  -3.067 -19.426
  239    HG2  GLU  32           2HG      GLU  32  -2.005  -1.523 -17.749
  240    HG3  GLU  32           3HG      GLU  32  -0.479  -2.345 -17.434
  241    H    ASP  33           H        ASP  33  -1.682  -6.851 -17.915
  242    HA   ASP  33           HA       ASP  33  -3.819  -7.550 -19.743
  243    HB2  ASP  33           2HB      ASP  33  -2.028  -9.475 -18.258
  244    HB3  ASP  33           3HB      ASP  33  -2.855  -9.722 -19.792
  245    H    HIS  34           H        HIS  34  -3.163  -7.412 -16.405
  246    HA   HIS  34           HA       HIS  34  -5.830  -8.468 -15.812
  247    HB2  HIS  34           2HB      HIS  34  -3.247  -9.147 -14.399
  248    HB3  HIS  34           3HB      HIS  34  -4.814  -9.334 -13.621
  249    HD1  HIS  34           HD1      HIS  34  -2.509 -10.965 -16.001
  250    HD2  HIS  34           HD2      HIS  34  -6.482 -11.345 -14.812
  251    HE1  HIS  34           HE1      HIS  34  -3.252 -13.219 -16.823
  252    HE2  HIS  34           HE2      HIS  34  -5.604 -13.491 -15.964
  253    H    GLY  35           H        GLY  35  -5.690  -5.940 -16.213
  254    HA2  GLY  35           2HA      GLY  35  -4.657  -4.262 -14.194
  255    HA3  GLY  35           3HA      GLY  35  -5.917  -3.832 -15.341
  256    H    ALA  36           H        ALA  36  -5.913  -2.909 -12.728
  257    HA   ALA  36           HA       ALA  36  -7.127  -2.734 -10.822
  258    HB1  ALA  36           3HB      ALA  36  -9.027  -2.573 -12.352
  259    HB2  ALA  36           1HB      ALA  36  -9.474  -3.422 -10.872
  260    HB3  ALA  36           2HB      ALA  36  -9.182  -4.330 -12.355
  261    H    VAL  37           H        VAL  37  -5.500  -4.031  -9.819
  262    HA   VAL  37           HA       VAL  37  -5.806  -6.887  -9.692
  263    HB   VAL  37           HB       VAL  37  -3.887  -5.120  -8.160
  264   HG11  VAL  37          1HG1      VAL  37  -3.827  -8.085  -8.727
  265   HG12  VAL  37          2HG1      VAL  37  -4.128  -7.324  -7.165
  266   HG13  VAL  37          3HG1      VAL  37  -2.548  -7.166  -7.932
  267   HG21  VAL  37          3HG2      VAL  37  -2.248  -5.702  -9.887
  268   HG22  VAL  37          1HG2      VAL  37  -3.613  -4.812 -10.559
  269   HG23  VAL  37          2HG2      VAL  37  -3.500  -6.558 -10.787
  270    H    GLY  38           H        GLY  38  -7.735  -7.279  -8.646
  271    HA2  GLY  38           2HA      GLY  38  -8.751  -8.086  -6.728
  272    HA3  GLY  38           3HA      GLY  38  -7.475  -7.350  -5.773
  273    H    GLN  39           H        GLN  39  -8.303  -4.836  -7.523
  274    HA   GLN  39           HA       GLN  39 -10.752  -4.062  -6.206
  275    HB2  GLN  39           2HB      GLN  39  -9.767  -2.216  -4.941
  276    HB3  GLN  39           3HB      GLN  39  -9.098  -3.752  -4.409
  277    HG2  GLN  39           2HG      GLN  39  -7.042  -3.351  -5.433
  278    HG3  GLN  39           3HG      GLN  39  -7.699  -2.072  -6.454
  279   HE21  GLN  39          1HE2      GLN  39  -8.445  -2.363  -3.072
  280   HE22  GLN  39          2HE2      GLN  39  -7.588  -0.945  -2.565
  281    H    GLU  40           H        GLU  40 -10.384  -1.307  -6.362
  282    HA   GLU  40           HA       GLU  40 -10.906  -0.623  -8.991
  283    HB2  GLU  40           2HB      GLU  40 -11.444   0.753  -7.012
  284    HB3  GLU  40           3HB      GLU  40  -9.736   1.096  -6.790
  285    HG2  GLU  40           2HG      GLU  40  -9.680   2.298  -8.895
  286    HG3  GLU  40           3HG      GLU  40 -11.376   1.903  -9.180
  287    H    MET  41           H        MET  41  -9.641   0.549 -10.542
  288    HA   MET  41           HA       MET  41  -6.956  -0.551 -10.704
  289    HB2  MET  41           2HB      MET  41  -7.029   0.127 -13.048
  290    HB3  MET  41           3HB      MET  41  -8.458  -0.802 -12.622
  291    HG2  MET  41           2HG      MET  41  -8.365   2.201 -12.801
  292    HG3  MET  41           3HG      MET  41  -8.915   1.135 -14.089
  293    HE1  MET  41           3HE      MET  41 -12.069  -0.528 -12.393
  294    HE2  MET  41           1HE      MET  41 -10.412  -1.125 -12.343
  295    HE3  MET  41           2HE      MET  41 -11.068  -0.471 -13.843
  296    H    CYS  42           H        CYS  42  -7.906   1.982  -9.126
  297    HA   CYS  42           HA       CYS  42  -5.842   3.777 -10.208
  298    HB2  CYS  42           2HB      CYS  42  -8.393   4.521  -8.766
  299    HB3  CYS  42           3HB      CYS  42  -7.153   5.658  -9.286
  300    HG   CYS  42           HG       CYS  42  -7.585   5.421 -11.960
  301    H    CYS  43           H        CYS  43  -4.392   4.675  -8.852
  302    HA   CYS  43           HA       CYS  43  -4.375   3.721  -6.064
  303    HB2  CYS  43           2HB      CYS  43  -2.408   3.011  -7.263
  304    HB3  CYS  43           3HB      CYS  43  -2.147   4.627  -7.905
  305    HA   PRO  44           HA       PRO  44  -5.769   7.981  -5.497
  306    HB2  PRO  44           2HB      PRO  44  -6.022   7.744  -2.758
  307    HB3  PRO  44           3HB      PRO  44  -7.267   7.299  -3.928
  308    HG2  PRO  44           2HG      PRO  44  -5.281   5.566  -2.519
  309    HG3  PRO  44           3HG      PRO  44  -6.991   5.253  -2.875
  310    HD2  PRO  44           2HD      PRO  44  -5.033   4.144  -4.330
  311    HD3  PRO  44           3HD      PRO  44  -6.555   4.673  -5.077
  312    H    ILE  45           H        ILE  45  -3.103   6.429  -3.854
  313    HA   ILE  45           HA       ILE  45  -2.144   8.592  -2.356
  314    HB   ILE  45           HB       ILE  45  -0.511   6.364  -3.579
  315   HG12  ILE  45          2HG1      ILE  45  -1.894   6.496  -0.890
  316   HG13  ILE  45          3HG1      ILE  45  -2.443   5.543  -2.264
  317   HG21  ILE  45          1HG2      ILE  45   0.017   8.124  -1.185
  318   HG22  ILE  45          2HG2      ILE  45   0.862   8.189  -2.732
  319   HG23  ILE  45          3HG2      ILE  45   1.018   6.767  -1.700
  320   HD11  ILE  45          3HD1      ILE  45  -0.393   4.221  -2.160
  321   HD12  ILE  45          1HD1      ILE  45  -1.286   4.164  -0.640
  322   HD13  ILE  45          2HD1      ILE  45   0.149   5.178  -0.781
  323    H    CYS  46           H        CYS  46  -1.452   7.614  -5.694
  324    HA   CYS  46           HA       CYS  46  -0.051  10.183  -6.044
  325    HB2  CYS  46           2HB      CYS  46   1.236   9.070  -7.871
  326    HB3  CYS  46           3HB      CYS  46   1.549   8.394  -6.276
  327    H    CYS  47           H        CYS  47  -2.898   9.102  -6.445
  328    HA   CYS  47           HA       CYS  47  -4.598   9.076  -7.950
  329    HB2  CYS  47           2HB      CYS  47  -4.878  11.244  -9.148
  330    HB3  CYS  47           3HB      CYS  47  -4.549  11.409  -7.431
  331    HG   CYS  47           HG       CYS  47  -1.697  11.520  -9.026
  332    H    SER  48           H        SER  48  -2.709   7.392  -8.892
  333    HA   SER  48           HA       SER  48  -2.774   7.886 -11.796
  334    HB2  SER  48           2HB      SER  48  -0.699   6.758 -12.056
  335    HB3  SER  48           3HB      SER  48  -0.461   7.824 -10.672
  336    HG   SER  48           HG       SER  48  -0.619   5.049 -10.792
  337    H    GLU  49           H        GLU  49  -2.393   5.541 -12.883
  338    HA   GLU  49           HA       GLU  49  -4.384   3.773 -11.633
  339    HB2  GLU  49           2HB      GLU  49  -4.701   2.801 -13.863
  340    HB3  GLU  49           3HB      GLU  49  -4.994   4.532 -13.869
  341    HG2  GLU  49           2HG      GLU  49  -2.684   4.840 -14.759
  342    HG3  GLU  49           3HG      GLU  49  -2.574   3.086 -14.911
  343    H    TYR  50           H        TYR  50  -3.886   1.386 -12.670
  344    HA   TYR  50           HA       TYR  50  -1.198   0.745 -11.685
  345    HB2  TYR  50           2HB      TYR  50  -3.744  -0.857 -11.870
  346    HB3  TYR  50           3HB      TYR  50  -2.187  -1.631 -11.604
  347    HD1  TYR  50           HD1      TYR  50  -0.986  -1.324  -9.505
  348    HD2  TYR  50           HD2      TYR  50  -4.782   0.491 -10.134
  349    HE1  TYR  50           HE1      TYR  50  -1.164  -0.874  -7.095
  350    HE2  TYR  50           HE2      TYR  50  -4.968   0.949  -7.725
  351    HH   TYR  50           HH       TYR  50  -4.033   0.050  -5.588
  352    H    VAL  51           H        VAL  51   0.273   0.541 -13.236
  353    HA   VAL  51           HA       VAL  51  -0.587  -0.384 -15.886
  354    HB   VAL  51           HB       VAL  51   1.430   0.718 -16.772
  355   HG11  VAL  51          1HG1      VAL  51   0.687   3.034 -16.445
  356   HG12  VAL  51          2HG1      VAL  51  -0.329   2.510 -15.101
  357   HG13  VAL  51          3HG1      VAL  51  -0.666   1.940 -16.736
  358   HG21  VAL  51          3HG2      VAL  51   2.863   0.561 -14.809
  359   HG22  VAL  51          1HG2      VAL  51   1.815   1.682 -13.938
  360   HG23  VAL  51          2HG2      VAL  51   2.727   2.237 -15.343
  361    H    LYS  52           H        LYS  52   1.114  -1.531 -17.161
  362    HA   LYS  52           HA       LYS  52   1.928  -3.857 -15.715
  363    HB2  LYS  52           2HB      LYS  52   1.123  -4.184 -17.924
  364    HB3  LYS  52           3HB      LYS  52   2.208  -2.971 -18.584
  365    HG2  LYS  52           2HG      LYS  52   4.100  -4.404 -18.278
  366    HG3  LYS  52           3HG      LYS  52   3.125  -5.581 -17.397
  367    HD2  LYS  52           2HD      LYS  52   3.582  -6.198 -19.776
  368    HD3  LYS  52           3HD      LYS  52   1.871  -6.123 -19.359
  369    HE2  LYS  52           2HE      LYS  52   2.185  -5.085 -21.504
  370    HE3  LYS  52           3HE      LYS  52   1.784  -3.840 -20.325
  371    HZ1  LYS  52           3HZ      LYS  52   4.395  -4.393 -21.602
  372    HZ2  LYS  52           1HZ      LYS  52   4.296  -3.510 -20.157
  373    HZ3  LYS  52           2HZ      LYS  52   3.519  -2.944 -21.547
  374    H    GLY  53           H        GLY  53   3.683  -3.933 -14.495
  375    HA2  GLY  53           2HA      GLY  53   6.162  -4.117 -14.745
  376    HA3  GLY  53           3HA      GLY  53   6.097  -2.505 -15.442
  377    H    ASP  54           H        ASP  54   3.841  -2.266 -13.186
  378    HA   ASP  54           HA       ASP  54   5.673  -0.986 -11.327
  379    HB2  ASP  54           2HB      ASP  54   3.378  -0.071 -12.210
  380    HB3  ASP  54           3HB      ASP  54   2.698  -1.083 -10.941
  381    H    VAL  55           H        VAL  55   5.183  -1.252  -8.929
  382    HA   VAL  55           HA       VAL  55   4.822  -4.123  -8.351
  383    HB   VAL  55           HB       VAL  55   6.624  -2.169  -6.901
  384   HG11  VAL  55          1HG1      VAL  55   6.214  -5.132  -6.493
  385   HG12  VAL  55          2HG1      VAL  55   5.703  -3.847  -5.398
  386   HG13  VAL  55          3HG1      VAL  55   7.419  -4.138  -5.673
  387   HG21  VAL  55          3HG2      VAL  55   8.469  -3.491  -7.815
  388   HG22  VAL  55          1HG2      VAL  55   7.503  -2.763  -9.097
  389   HG23  VAL  55          2HG2      VAL  55   7.319  -4.476  -8.719
  390    H    ALA  56           H        ALA  56   3.036  -4.503  -7.247
  391    HA   ALA  56           HA       ALA  56   1.988  -2.397  -5.473
  392    HB1  ALA  56           3HB      ALA  56  -0.197  -3.439  -5.739
  393    HB2  ALA  56           1HB      ALA  56   0.513  -4.699  -6.747
  394    HB3  ALA  56           2HB      ALA  56   0.493  -3.027  -7.309
  395    H    THR  57           H        THR  57   0.769  -3.224  -3.577
  396    HA   THR  57           HA       THR  57   1.791  -5.768  -2.546
  397    HB   THR  57           HB       THR  57   3.211  -4.025  -1.572
  398    HG1  THR  57           HG1      THR  57   1.348  -4.959   0.370
  399   HG21  THR  57          3HG2      THR  57   2.272  -2.322  -0.078
  400   HG22  THR  57          1HG2      THR  57   0.644  -2.856  -0.493
  401   HG23  THR  57          2HG2      THR  57   1.673  -2.128  -1.725
  402    H    GLU  58           H        GLU  58   0.476  -6.681  -0.882
  403    HA   GLU  58           HA       GLU  58  -2.302  -5.734  -0.982
  404    HB2  GLU  58           2HB      GLU  58  -1.860  -8.036  -1.837
  405    HB3  GLU  58           3HB      GLU  58  -1.265  -8.481  -0.243
  406    HG2  GLU  58           2HG      GLU  58  -3.486  -7.928   0.690
  407    HG3  GLU  58           3HG      GLU  58  -4.060  -7.619  -0.949
  408    H    LEU  59           H        LEU  59  -2.896  -4.641   0.775
  409    HA   LEU  59           HA       LEU  59  -1.619  -5.075   3.329
  410    HB2  LEU  59           2HB      LEU  59  -4.024  -3.411   2.559
  411    HB3  LEU  59           3HB      LEU  59  -3.312  -3.443   4.161
  412    HG   LEU  59           HG       LEU  59  -1.987  -2.435   1.641
  413   HD11  LEU  59          1HD1      LEU  59  -2.069  -0.267   2.774
  414   HD12  LEU  59          2HD1      LEU  59  -2.956  -1.001   4.110
  415   HD13  LEU  59          3HD1      LEU  59  -3.684  -0.924   2.504
  416   HD21  LEU  59          3HD2      LEU  59  -0.942  -2.539   4.469
  417   HD22  LEU  59          1HD2      LEU  59  -0.150  -1.756   3.102
  418   HD23  LEU  59          2HD2      LEU  59  -0.364  -3.506   3.112
  419    HA   PRO  60           HA       PRO  60  -4.059  -8.405   4.737
  420    HB2  PRO  60           2HB      PRO  60  -4.347  -7.767   7.398
  421    HB3  PRO  60           3HB      PRO  60  -2.895  -8.481   6.689
  422    HG2  PRO  60           2HG      PRO  60  -3.480  -5.621   7.339
  423    HG3  PRO  60           3HG      PRO  60  -1.982  -6.540   7.582
  424    HD2  PRO  60           2HD      PRO  60  -2.258  -4.830   5.537
  425    HD3  PRO  60           3HD      PRO  60  -1.362  -6.353   5.354
  426    H    CYS  61           H        CYS  61  -5.349  -5.302   4.663
  427    HA   CYS  61           HA       CYS  61  -7.959  -6.197   5.661
  428    HB2  CYS  61           2HB      CYS  61  -8.570  -3.857   5.788
  429    HB3  CYS  61           3HB      CYS  61  -7.031  -4.094   6.603
  430    H    HIS  62           H        HIS  62  -6.741  -6.955   3.079
  431    HA   HIS  62           HA       HIS  62  -7.489  -7.465   1.003
  432    HB2  HIS  62           2HB      HIS  62 -10.092  -6.415   2.118
  433    HB3  HIS  62           3HB      HIS  62  -9.944  -7.182   0.541
  434    HD1  HIS  62           HD1      HIS  62 -10.141  -9.663   0.483
  435    HD2  HIS  62           HD2      HIS  62  -9.412  -8.218   4.315
  436    HE1  HIS  62           HE1      HIS  62 -10.363 -11.651   2.013
  437    HE2  HIS  62           HE2      HIS  62  -9.725 -10.780   4.290
  438    H    HIS  63           H        HIS  63  -6.289  -4.855   1.455
  439    HA   HIS  63           HA       HIS  63  -7.441  -3.495  -0.882
  440    HB2  HIS  63           2HB      HIS  63  -6.616  -2.307   1.740
  441    HB3  HIS  63           3HB      HIS  63  -6.449  -1.354   0.269
  442    HD2  HIS  63           HD2      HIS  63  -9.297  -2.232  -1.135
  443    HE1  HIS  63           HE1      HIS  63 -11.029  -0.593   2.371
  444    HE2  HIS  63           HE2      HIS  63 -11.439  -1.343   0.000
  445    H    TYR  64           H        TYR  64  -6.066  -2.876  -2.429
  446    HA   TYR  64           HA       TYR  64  -3.260  -3.657  -2.073
  447    HB2  TYR  64           2HB      TYR  64  -5.004  -3.472  -4.532
  448    HB3  TYR  64           3HB      TYR  64  -3.261  -3.696  -4.612
  449    HD1  TYR  64           HD1      TYR  64  -6.414  -5.249  -3.424
  450    HD2  TYR  64           HD2      TYR  64  -2.297  -5.824  -4.323
  451    HE1  TYR  64           HE1      TYR  64  -6.716  -7.683  -3.222
  452    HE2  TYR  64           HE2      TYR  64  -2.586  -8.255  -4.126
  453    HH   TYR  64           HH       TYR  64  -4.165  -9.823  -2.910
  454    H    PHE  65           H        PHE  65  -1.617  -2.313  -2.678
  455    HA   PHE  65           HA       PHE  65  -2.184   0.250  -3.934
  456    HB2  PHE  65           2HB      PHE  65  -0.847   0.001  -1.227
  457    HB3  PHE  65           3HB      PHE  65  -0.765   1.445  -2.224
  458    HD1  PHE  65           HD2      PHE  65  -2.876   2.706  -2.709
  459    HD2  PHE  65           HD1      PHE  65  -2.679  -0.429   0.163
  460    HE1  PHE  65           HE2      PHE  65  -4.948   3.531  -1.668
  461    HE2  PHE  65           HE1      PHE  65  -4.748   0.390   1.207
  462    HZ   PHE  65           HZ       PHE  65  -5.885   2.374   0.294
  463    H    HIS  66           H        HIS  66  -0.216   1.228  -4.786
  464    HA   HIS  66           HA       HIS  66   1.892  -0.461  -5.587
  465    HB2  HIS  66           2HB      HIS  66   1.781   2.519  -5.178
  466    HB3  HIS  66           3HB      HIS  66   3.178   1.719  -5.867
  467    HD2  HIS  66           HD2      HIS  66   1.386  -0.102  -8.048
  468    HE1  HIS  66           HE1      HIS  66   0.293   3.754  -9.448
  469    HE2  HIS  66           HE2      HIS  66   0.673   1.348 -10.065
  470    H    LYS  67           H        LYS  67   3.821  -1.074  -4.503
  471    HA   LYS  67           HA       LYS  67   3.624  -0.966  -1.680
  472    HB2  LYS  67           2HB      LYS  67   4.607  -2.907  -2.757
  473    HB3  LYS  67           3HB      LYS  67   5.951  -1.928  -3.339
  474    HG2  LYS  67           2HG      LYS  67   6.718  -1.536  -1.099
  475    HG3  LYS  67           3HG      LYS  67   5.296  -2.327  -0.426
  476    HD2  LYS  67           2HD      LYS  67   6.011  -4.451  -1.391
  477    HD3  LYS  67           3HD      LYS  67   7.423  -3.658  -2.099
  478    HE2  LYS  67           2HE      LYS  67   8.282  -3.124   0.087
  479    HE3  LYS  67           3HE      LYS  67   6.823  -3.748   0.856
  480    HZ1  LYS  67           3HZ      LYS  67   7.373  -5.951   0.053
  481    HZ2  LYS  67           1HZ      LYS  67   8.648  -5.329   0.980
  482    HZ3  LYS  67           2HZ      LYS  67   8.770  -5.358  -0.713
  483    HA   PRO  68           HA       PRO  68   7.552   1.847  -1.525
  484    HB2  PRO  68           2HB      PRO  68   8.182   3.216  -3.819
  485    HB3  PRO  68           3HB      PRO  68   8.949   1.699  -3.338
  486    HG2  PRO  68           2HG      PRO  68   6.731   2.166  -5.290
  487    HG3  PRO  68           3HG      PRO  68   8.122   1.073  -5.414
  488    HD2  PRO  68           2HD      PRO  68   5.667   0.184  -4.761
  489    HD3  PRO  68           3HD      PRO  68   7.138  -0.533  -4.073
  490    H    CYS  69           H        CYS  69   4.854   2.500  -3.516
  491    HA   CYS  69           HA       CYS  69   4.581   5.297  -3.232
  492    HB2  CYS  69           2HB      CYS  69   3.522   3.597  -4.847
  493    HB3  CYS  69           3HB      CYS  69   2.388   3.277  -3.544
  494    H    VAL  70           H        VAL  70   2.984   2.545  -1.602
  495    HA   VAL  70           HA       VAL  70   1.603   4.239   0.248
  496    HB   VAL  70           HB       VAL  70   0.725   2.024  -0.543
  497   HG11  VAL  70          1HG1      VAL  70   2.748   0.702  -0.397
  498   HG12  VAL  70          2HG1      VAL  70   1.475  -0.010   0.595
  499   HG13  VAL  70          3HG1      VAL  70   2.777   0.905   1.355
  500   HG21  VAL  70          3HG2      VAL  70  -0.236   1.383   1.626
  501   HG22  VAL  70          1HG2      VAL  70  -0.260   3.128   1.370
  502   HG23  VAL  70          2HG2      VAL  70   0.945   2.410   2.437
  503    H    SER  71           H        SER  71   4.647   2.584   0.193
  504    HA   SER  71           HA       SER  71   5.286   2.435   2.881
  505    HB2  SER  71           2HB      SER  71   6.760   1.545   1.145
  506    HB3  SER  71           3HB      SER  71   7.091   3.174   0.558
  507    HG   SER  71           HG       SER  71   8.573   1.985   2.191
  508    H    ILE  72           H        ILE  72   5.696   5.169   0.648
  509    HA   ILE  72           HA       ILE  72   6.812   6.988   2.441
  510    HB   ILE  72           HB       ILE  72   4.941   7.618   0.145
  511   HG12  ILE  72          2HG1      ILE  72   7.962   7.418   0.193
  512   HG13  ILE  72          3HG1      ILE  72   6.884   6.218  -0.510
  513   HG21  ILE  72          1HG2      ILE  72   7.018   9.327   1.521
  514   HG22  ILE  72          2HG2      ILE  72   5.270   9.512   1.657
  515   HG23  ILE  72          3HG2      ILE  72   6.068   9.793   0.110
  516   HD11  ILE  72          3HD1      ILE  72   7.861   7.635  -2.217
  517   HD12  ILE  72          1HD1      ILE  72   7.199   9.067  -1.428
  518   HD13  ILE  72          2HD1      ILE  72   6.115   7.868  -2.135
  519    H    TRP  73           H        TRP  73   3.407   6.399   1.620
  520    HA   TRP  73           HA       TRP  73   2.288   8.349   3.298
  521    HB2  TRP  73           2HB      TRP  73   0.937   7.377   1.579
  522    HB3  TRP  73           3HB      TRP  73   1.181   5.755   2.214
  523    HD1  TRP  73           HD1      TRP  73  -0.663   4.860   3.749
  524    HE1  TRP  73           HE1      TRP  73  -2.677   5.866   4.993
  525    HE3  TRP  73           HE3      TRP  73   0.203   9.813   2.808
  526    HZ2  TRP  73           HZ2      TRP  73  -3.752   8.426   5.508
  527    HZ3  TRP  73           HZ3      TRP  73  -1.365  11.475   3.717
  528    HH2  TRP  73           HH2      TRP  73  -3.303  10.795   5.039
  529    H    LEU  74           H        LEU  74   3.015   4.927   3.874
  530    HA   LEU  74           HA       LEU  74   1.875   4.800   6.458
  531    HB2  LEU  74           2HB      LEU  74   4.027   3.115   5.183
  532    HB3  LEU  74           3HB      LEU  74   3.241   2.733   6.703
  533    HG   LEU  74           HG       LEU  74   1.856   2.914   4.024
  534   HD11  LEU  74          1HD1      LEU  74   1.646   0.485   4.219
  535   HD12  LEU  74          2HD1      LEU  74   2.604   0.522   5.699
  536   HD13  LEU  74          3HD1      LEU  74   3.336   0.985   4.164
  537   HD21  LEU  74          3HD2      LEU  74  -0.059   1.954   5.210
  538   HD22  LEU  74          1HD2      LEU  74   0.388   3.527   5.873
  539   HD23  LEU  74          2HD2      LEU  74   0.834   2.050   6.728
  540    H    GLN  75           H        GLN  75   4.914   6.006   5.312
  541    HA   GLN  75           HA       GLN  75   6.269   5.916   7.822
  542    HB2  GLN  75           2HB      GLN  75   6.772   7.599   5.362
  543    HB3  GLN  75           3HB      GLN  75   7.838   7.547   6.760
  544    HG2  GLN  75           2HG      GLN  75   8.257   5.198   6.400
  545    HG3  GLN  75           3HG      GLN  75   7.112   5.173   5.061
  546   HE21  GLN  75          1HE2      GLN  75   8.604   4.511   3.561
  547   HE22  GLN  75          2HE2      GLN  75   9.880   5.535   2.988
  548    H    LYS  76           H        LYS  76   3.928   8.025   6.400
  549    HA   LYS  76           HA       LYS  76   4.297  10.040   8.474
  550    HB2  LYS  76           2HB      LYS  76   2.315   9.801   6.207
  551    HB3  LYS  76           3HB      LYS  76   2.186  11.037   7.445
  552    HG2  LYS  76           2HG      LYS  76   3.267  12.182   5.791
  553    HG3  LYS  76           3HG      LYS  76   4.637  11.594   6.733
  554    HD2  LYS  76           2HD      LYS  76   4.972   9.775   5.183
  555    HD3  LYS  76           3HD      LYS  76   3.522  10.230   4.288
  556    HE2  LYS  76           2HE      LYS  76   5.407  11.043   3.074
  557    HE3  LYS  76           3HE      LYS  76   4.600  12.429   3.807
  558    HZ1  LYS  76           3HZ      LYS  76   6.944  12.662   4.086
  559    HZ2  LYS  76           1HZ      LYS  76   7.090  11.108   4.748
  560    HZ3  LYS  76           2HZ      LYS  76   6.281  12.326   5.610
  561    H    SER  77           H        SER  77   1.656   7.939   7.352
  562    HA   SER  77           HA       SER  77   0.867   7.512  10.133
  563    HB2  SER  77           2HB      SER  77  -1.029   8.410   7.946
  564    HB3  SER  77           3HB      SER  77  -1.508   7.913   9.570
  565    HG   SER  77           HG       SER  77  -0.290   9.661  10.392
  566    H    GLY  78           H        GLY  78   0.593   5.415  10.493
  567    HA2  GLY  78           2HA      GLY  78   0.507   3.556   8.277
  568    HA3  GLY  78           3HA      GLY  78   0.543   3.146   9.988
  569    H    THR  79           H        THR  79  -1.558   4.413   7.441
  570    HA   THR  79           HA       THR  79  -3.791   2.925   8.583
  571    HB   THR  79           HB       THR  79  -4.176   5.837   7.895
  572    HG1  THR  79           HG1      THR  79  -3.165   4.674  10.231
  573   HG21  THR  79          3HG2      THR  79  -6.166   4.414   7.957
  574   HG22  THR  79          1HG2      THR  79  -6.178   5.592   9.270
  575   HG23  THR  79          2HG2      THR  79  -5.754   3.912   9.598
  576    H    CYS  80           H        CYS  80  -5.083   2.102   7.029
  577    HA   CYS  80           HA       CYS  80  -4.418   2.474   4.259
  578    HB2  CYS  80           2HB      CYS  80  -5.283   0.337   5.291
  579    HB3  CYS  80           3HB      CYS  80  -6.846   1.111   5.448
  580    HA   PRO  81           HA       PRO  81  -6.604   6.378   4.278
  581    HB2  PRO  81           2HB      PRO  81  -6.673   6.633   1.498
  582    HB3  PRO  81           3HB      PRO  81  -5.396   7.213   2.568
  583    HG2  PRO  81           2HG      PRO  81  -5.525   4.709   0.952
  584    HG3  PRO  81           3HG      PRO  81  -4.136   5.757   1.295
  585    HD2  PRO  81           2HD      PRO  81  -4.448   3.420   2.555
  586    HD3  PRO  81           3HD      PRO  81  -3.814   4.843   3.410
  587    H    VAL  82           H        VAL  82  -7.679   3.694   2.263
  588    HA   VAL  82           HA       VAL  82 -10.151   4.881   1.513
  589    HB   VAL  82           HB       VAL  82  -9.426   1.949   1.511
  590   HG11  VAL  82          1HG1      VAL  82 -11.814   2.342   1.273
  591   HG12  VAL  82          2HG1      VAL  82 -11.123   1.772  -0.246
  592   HG13  VAL  82          3HG1      VAL  82 -11.510   3.481  -0.039
  593   HG21  VAL  82          3HG2      VAL  82  -7.784   3.234   0.262
  594   HG22  VAL  82          1HG2      VAL  82  -9.071   4.031  -0.642
  595   HG23  VAL  82          2HG2      VAL  82  -8.799   2.299  -0.836
  596    H    CYS  83           H        CYS  83  -9.286   2.484   4.002
  597    HA   CYS  83           HA       CYS  83 -12.078   2.502   4.918
  598    HB2  CYS  83           2HB      CYS  83 -11.448   0.404   6.121
  599    HB3  CYS  83           3HB      CYS  83 -11.280   0.296   4.371
  600    H    ARG  84           H        ARG  84  -8.855   3.313   5.777
  601    HA   ARG  84           HA       ARG  84  -7.961   4.531   7.433
  602    HB2  ARG  84           2HB      ARG  84 -10.734   4.896   8.559
  603    HB3  ARG  84           3HB      ARG  84  -9.311   5.861   8.918
  604    HG2  ARG  84           2HG      ARG  84  -9.309   6.330   6.362
  605    HG3  ARG  84           3HG      ARG  84 -10.995   5.818   6.455
  606    HD2  ARG  84           2HD      ARG  84 -11.048   8.148   6.716
  607    HD3  ARG  84           3HD      ARG  84 -11.232   7.502   8.347
  608    HE   ARG  84           HE       ARG  84  -8.517   7.909   7.969
  609   HH11  ARG  84          1HH1      ARG  84 -11.426   9.863   8.007
  610   HH12  ARG  84          2HH1      ARG  84 -10.599  11.300   8.520
  611   HH21  ARG  84          1HH2      ARG  84  -7.426   9.805   8.638
  612   HH22  ARG  84          2HH2      ARG  84  -8.331  11.266   8.876
  613    H    CYS  85           H        CYS  85  -8.493   1.647   7.588
  614    HA   CYS  85           HA       CYS  85  -8.425   1.144  10.435
  615    HB2  CYS  85           2HB      CYS  85  -9.356  -0.573   8.945
  616    HB3  CYS  85           3HB      CYS  85  -7.824  -0.672   8.082
  617    HG   CYS  85           HG       CYS  85  -6.406  -1.693  10.280
  618    H    MET  86           H        MET  86  -6.596   0.808  11.637
  619    HA   MET  86           HA       MET  86  -4.223   2.069  10.690
  620    HB2  MET  86           2HB      MET  86  -4.912   2.286  13.020
  621    HB3  MET  86           3HB      MET  86  -4.753   0.551  13.250
  622    HG2  MET  86           2HG      MET  86  -2.371   0.677  12.931
  623    HG3  MET  86           3HG      MET  86  -2.482   2.390  12.535
  624    HE1  MET  86           3HE      MET  86  -3.391   0.668  16.721
  625    HE2  MET  86           1HE      MET  86  -2.859  -0.318  15.359
  626    HE3  MET  86           2HE      MET  86  -4.448   0.445  15.328
  627    H    PHE  87           H        PHE  87  -2.273   1.240  10.194
  628    HA   PHE  87           HA       PHE  87  -1.956  -1.686  10.152
  629    HB2  PHE  87           2HB      PHE  87  -2.278  -0.899   7.858
  630    HB3  PHE  87           3HB      PHE  87  -1.027   0.319   8.075
  631    HD1  PHE  87           HD1      PHE  87  -1.625  -3.330   7.950
  632    HD2  PHE  87           HD2      PHE  87   1.222  -0.181   7.651
  633    HE1  PHE  87           HE1      PHE  87   0.057  -4.931   7.140
  634    HE2  PHE  87           HE2      PHE  87   2.909  -1.778   6.840
  635    HZ   PHE  87           HZ       PHE  87   2.327  -4.157   6.584
  636    HA   PRO  88           HA       PRO  88  -0.342  -3.242  10.248
  637    HB2  PRO  88           2HB      PRO  88   0.541  -3.951  12.959
  638    HB3  PRO  88           3HB      PRO  88   1.072  -4.596  11.405
  639    HG2  PRO  88           2HG      PRO  88   2.655  -3.022  12.899
  640    HG3  PRO  88           3HG      PRO  88   2.678  -2.966  11.126
  641    HD2  PRO  88           2HD      PRO  88   1.341  -1.111  13.064
  642    HD3  PRO  88           3HD      PRO  88   2.258  -0.730  11.590
  643    HA   PRO  89           HA       PRO  89  -4.345  -3.480  12.052
  644    HB2  PRO  89           2HB      PRO  89  -4.495  -6.214  12.541
  645    HB3  PRO  89           3HB      PRO  89  -4.869  -5.427  11.005
  646    HG2  PRO  89           2HG      PRO  89  -2.368  -6.806  11.874
  647    HG3  PRO  89           3HG      PRO  89  -3.164  -6.815  10.288
  648    HD2  PRO  89           2HD      PRO  89  -0.980  -5.335  10.737
  649    HD3  PRO  89           3HD      PRO  89  -2.299  -4.738   9.705
  650    HA   PRO  90           HA       PRO  90  -3.491  -3.443  16.422
  651    HB2  PRO  90           2HB      PRO  90  -5.890  -2.568  17.248
  652    HB3  PRO  90           3HB      PRO  90  -4.767  -1.513  16.381
  653    HG2  PRO  90           2HG      PRO  90  -7.158  -2.990  15.350
  654    HG3  PRO  90           3HG      PRO  90  -6.641  -1.327  15.014
  655    HD2  PRO  90           2HD      PRO  90  -6.174  -3.433  13.331
  656    HD3  PRO  90           3HD      PRO  90  -5.143  -1.991  13.411
  657    H    LEU  91           H        LEU  91  -5.019  -4.057  18.436
  658    HA   LEU  91           HA       LEU  91  -5.840  -6.834  17.962
  659    HB2  LEU  91           2HB      LEU  91  -5.083  -5.421  20.522
  660    HB3  LEU  91           3HB      LEU  91  -5.605  -7.092  20.422
  661    HG   LEU  91           HG       LEU  91  -3.111  -5.962  19.148
  662   HD11  LEU  91          1HD1      LEU  91  -3.461  -7.738  21.560
  663   HD12  LEU  91          2HD1      LEU  91  -2.949  -6.050  21.575
  664   HD13  LEU  91          3HD1      LEU  91  -1.923  -7.276  20.832
  665   HD21  LEU  91          3HD2      LEU  91  -4.120  -8.801  19.328
  666   HD22  LEU  91          1HD2      LEU  91  -2.562  -8.297  18.672
  667   HD23  LEU  91          2HD2      LEU  91  -4.055  -7.812  17.868
  Start of MODEL   13
    1    H1   MET   1           1H       MET   1 -21.599  28.962   2.921
    2    H2   MET   1           2H       MET   1 -22.345  27.463   3.192
    3    H3   MET   1           3H       MET   1 -21.660  27.808   1.678
    4    HA   MET   1           HA       MET   1 -20.309  26.305   3.078
    5    HB2  MET   1           2HB      MET   1 -19.326  27.718   1.280
    6    HB3  MET   1           3HB      MET   1 -19.035  28.982   2.467
    7    HG2  MET   1           2HG      MET   1 -17.556  27.466   3.701
    8    HG3  MET   1           3HG      MET   1 -17.832  26.223   2.484
    9    HE1  MET   1           3HE      MET   1 -16.285  29.735   3.246
   10    HE2  MET   1           1HE      MET   1 -17.411  30.104   1.939
   11    HE3  MET   1           2HE      MET   1 -15.673  30.216   1.664
   12    H    GLY   2           H        GLY   2 -19.744  25.816   5.091
   13    HA2  GLY   2           2HA      GLY   2 -18.497  27.060   7.038
   14    HA3  GLY   2           3HA      GLY   2 -20.048  27.884   7.149
   15    H    HIS   3           H        HIS   3 -21.772  25.800   6.596
   16    HA   HIS   3           HA       HIS   3 -21.553  24.281   9.064
   17    HB2  HIS   3           2HB      HIS   3 -23.796  24.493   7.048
   18    HB3  HIS   3           3HB      HIS   3 -23.864  23.504   8.504
   19    HD1  HIS   3           HD1      HIS   3 -25.413  26.316   7.521
   20    HD2  HIS   3           HD2      HIS   3 -22.832  25.635  10.708
   21    HE1  HIS   3           HE1      HIS   3 -25.873  28.159   9.174
   22    HE2  HIS   3           HE2      HIS   3 -24.182  27.820  11.016
   23    H    HIS   4           H        HIS   4 -20.197  22.634   8.864
   24    HA   HIS   4           HA       HIS   4 -20.464  20.869   6.534
   25    HB2  HIS   4           2HB      HIS   4 -18.287  19.850   7.520
   26    HB3  HIS   4           3HB      HIS   4 -18.200  21.391   6.679
   27    HD1  HIS   4           HD1      HIS   4 -18.354  20.070  10.259
   28    HD2  HIS   4           HD2      HIS   4 -17.023  23.374   8.102
   29    HE1  HIS   4           HE1      HIS   4 -17.107  21.504  11.903
   30    HE2  HIS   4           HE2      HIS   4 -16.175  23.410  10.547
   31    H    HIS   5           H        HIS   5 -20.703  18.638   6.788
   32    HA   HIS   5           HA       HIS   5 -22.383  17.916   8.995
   33    HB2  HIS   5           2HB      HIS   5 -21.227  16.238   6.759
   34    HB3  HIS   5           3HB      HIS   5 -22.399  15.656   7.934
   35    HD1  HIS   5           HD1      HIS   5 -22.240  16.902   4.622
   36    HD2  HIS   5           HD2      HIS   5 -24.871  17.422   7.799
   37    HE1  HIS   5           HE1      HIS   5 -24.387  17.702   3.597
   38    HE2  HIS   5           HE2      HIS   5 -26.023  17.799   5.508
   39    H    HIS   6           H        HIS   6 -19.067  17.194   8.027
   40    HA   HIS   6           HA       HIS   6 -18.675  15.940  10.657
   41    HB2  HIS   6           2HB      HIS   6 -17.524  14.962   8.036
   42    HB3  HIS   6           3HB      HIS   6 -17.106  14.329   9.624
   43    HD1  HIS   6           HD1      HIS   6 -19.273  13.307  10.984
   44    HD2  HIS   6           HD2      HIS   6 -19.567  13.654   6.848
   45    HE1  HIS   6           HE1      HIS   6 -21.164  11.793  10.307
   46    HE2  HIS   6           HE2      HIS   6 -21.173  11.857   7.784
   47    H    HIS   7           H        HIS   7 -16.487  15.982  11.436
   48    HA   HIS   7           HA       HIS   7 -14.473  17.505  10.113
   49    HB2  HIS   7           2HB      HIS   7 -15.915  19.346  10.937
   50    HB3  HIS   7           3HB      HIS   7 -15.751  18.724  12.575
   51    HD1  HIS   7           HD1      HIS   7 -13.969  19.782  13.906
   52    HD2  HIS   7           HD2      HIS   7 -13.246  20.103   9.827
   53    HE1  HIS   7           HE1      HIS   7 -11.853  21.118  13.702
   54    HE2  HIS   7           HE2      HIS   7 -11.624  21.554  11.229
   55    H    HIS   8           H        HIS   8 -12.658  16.542  10.666
   56    HA   HIS   8           HA       HIS   8 -12.300  15.668  13.453
   57    HB2  HIS   8           2HB      HIS   8 -11.746  14.094  10.945
   58    HB3  HIS   8           3HB      HIS   8 -10.889  13.756  12.444
   59    HD1  HIS   8           HD1      HIS   8 -14.263  13.472  10.837
   60    HD2  HIS   8           HD2      HIS   8 -12.387  12.476  14.412
   61    HE1  HIS   8           HE1      HIS   8 -15.840  11.910  12.025
   62    HE2  HIS   8           HE2      HIS   8 -14.589  11.163  14.084
   63    H    SER   9           H        SER   9 -10.946  17.260  14.083
   64    HA   SER   9           HA       SER   9  -8.707  17.966  12.350
   65    HB2  SER   9           2HB      SER   9  -8.332  19.720  14.209
   66    HB3  SER   9           3HB      SER   9  -9.739  19.909  13.163
   67    HG   SER   9           HG       SER   9 -10.016  20.086  15.563
   68    H    HIS  10           H        HIS  10  -7.454  16.137  12.548
   69    HA   HIS  10           HA       HIS  10  -5.953  15.995  15.069
   70    HB2  HIS  10           2HB      HIS  10  -7.688  14.027  14.428
   71    HB3  HIS  10           3HB      HIS  10  -6.286  13.473  13.521
   72    HD1  HIS  10           HD1      HIS  10  -4.342  12.473  14.855
   73    HD2  HIS  10           HD2      HIS  10  -7.361  14.039  17.245
   74    HE1  HIS  10           HE1      HIS  10  -3.851  11.665  17.177
   75    HE2  HIS  10           HE2      HIS  10  -5.818  12.421  18.551
   76    H    MET  11           H        MET  11  -3.909  16.495  14.648
   77    HA   MET  11           HA       MET  11  -2.968  17.133  12.111
   78    HB2  MET  11           2HB      MET  11  -1.330  16.410  14.547
   79    HB3  MET  11           3HB      MET  11  -0.735  17.271  13.133
   80    HG2  MET  11           2HG      MET  11  -2.854  18.235  15.040
   81    HG3  MET  11           3HG      MET  11  -1.186  18.797  14.962
   82    HE1  MET  11           3HE      MET  11  -3.798  20.688  14.862
   83    HE2  MET  11           1HE      MET  11  -3.299  21.845  13.627
   84    HE3  MET  11           2HE      MET  11  -2.146  21.302  14.845
   85    H    VAL  12           H        VAL  12  -1.997  14.325  14.080
   86    HA   VAL  12           HA       VAL  12  -1.345  12.932  11.562
   87    HB   VAL  12           HB       VAL  12  -0.318  12.260  14.328
   88   HG11  VAL  12          1HG1      VAL  12   1.255  10.811  13.124
   89   HG12  VAL  12          2HG1      VAL  12   0.474  11.237  11.601
   90   HG13  VAL  12          3HG1      VAL  12  -0.422  10.345  12.832
   91   HG21  VAL  12          3HG2      VAL  12   1.077  13.703  12.074
   92   HG22  VAL  12          1HG2      VAL  12   1.841  13.153  13.566
   93   HG23  VAL  12          2HG2      VAL  12   0.594  14.399  13.619
   94    H    ALA  13           H        ALA  13  -2.645  11.302  11.021
   95    HA   ALA  13           HA       ALA  13  -4.969  10.669  12.419
   96    HB1  ALA  13           3HB      ALA  13  -3.552   8.966  10.373
   97    HB2  ALA  13           1HB      ALA  13  -4.676  10.276  10.018
   98    HB3  ALA  13           2HB      ALA  13  -5.244   8.829  10.851
   99    H    ASN  14           H        ASN  14  -2.382   8.297  11.835
  100    HA   ASN  14           HA       ASN  14  -2.659   7.360  14.600
  101    HB2  ASN  14           2HB      ASN  14  -2.946   5.714  12.088
  102    HB3  ASN  14           3HB      ASN  14  -2.452   4.982  13.610
  103   HD21  ASN  14          1HD2      ASN  14  -4.871   4.693  11.909
  104   HD22  ASN  14          2HD2      ASN  14  -6.205   4.944  12.986
  105    HA   PRO  15           HA       PRO  15   1.756   6.951  14.751
  106    HB2  PRO  15           2HB      PRO  15   2.021   4.258  15.442
  107    HB3  PRO  15           3HB      PRO  15   1.831   5.600  16.571
  108    HG2  PRO  15           2HG      PRO  15  -0.214   3.699  15.522
  109    HG3  PRO  15           3HG      PRO  15  -0.060   4.406  17.142
  110    HD2  PRO  15           2HD      PRO  15  -1.886   5.305  15.411
  111    HD3  PRO  15           3HD      PRO  15  -1.017   6.419  16.488
  112    HA   PRO  16           HA       PRO  16   2.906   5.370  10.767
  113    HB2  PRO  16           2HB      PRO  16   5.679   5.476  11.740
  114    HB3  PRO  16           3HB      PRO  16   4.917   6.380  10.429
  115    HG2  PRO  16           2HG      PRO  16   5.615   7.563  12.731
  116    HG3  PRO  16           3HG      PRO  16   4.158   8.044  11.839
  117    HD2  PRO  16           2HD      PRO  16   4.407   6.289  14.259
  118    HD3  PRO  16           3HD      PRO  16   3.222   7.570  13.914
  119    H    ALA  17           H        ALA  17   3.853   3.535   9.791
  120    HA   ALA  17           HA       ALA  17   3.978   1.231  11.581
  121    HB1  ALA  17           3HB      ALA  17   3.773  -0.110   9.547
  122    HB2  ALA  17           1HB      ALA  17   3.869   1.354   8.567
  123    HB3  ALA  17           2HB      ALA  17   2.494   1.100   9.641
  124    H    SER  18           H        SER  18   5.718  -0.199  11.627
  125    HA   SER  18           HA       SER  18   8.296   0.926  11.283
  126    HB2  SER  18           2HB      SER  18   7.649  -2.009  11.616
  127    HB3  SER  18           3HB      SER  18   9.118  -1.163  12.107
  128    HG   SER  18           HG       SER  18   6.738  -1.443  13.421
  129    H    LYS  19           H        LYS  19   9.794   0.672   9.658
  130    HA   LYS  19           HA       LYS  19   8.998   0.118   7.055
  131    HB2  LYS  19           2HB      LYS  19  11.059   1.343   7.556
  132    HB3  LYS  19           3HB      LYS  19  11.783  -0.117   8.220
  133    HG2  LYS  19           2HG      LYS  19  11.412  -1.153   5.926
  134    HG3  LYS  19           3HG      LYS  19  11.089   0.485   5.363
  135    HD2  LYS  19           2HD      LYS  19  13.618  -0.364   6.765
  136    HD3  LYS  19           3HD      LYS  19  13.435  -0.276   5.014
  137    HE2  LYS  19           2HE      LYS  19  12.853   2.133   5.267
  138    HE3  LYS  19           3HE      LYS  19  13.232   1.995   6.984
  139    HZ1  LYS  19           3HZ      LYS  19  15.108   2.863   5.746
  140    HZ2  LYS  19           1HZ      LYS  19  15.119   1.495   4.742
  141    HZ3  LYS  19           2HZ      LYS  19  15.489   1.341   6.391
  142    H    GLU  20           H        GLU  20  10.209  -2.035   9.524
  143    HA   GLU  20           HA       GLU  20  10.890  -4.227   7.924
  144    HB2  GLU  20           2HB      GLU  20   9.782  -4.378  10.728
  145    HB3  GLU  20           3HB      GLU  20  10.848  -5.531   9.938
  146    HG2  GLU  20           2HG      GLU  20  11.509  -2.750  10.867
  147    HG3  GLU  20           3HG      GLU  20  12.142  -4.274  11.484
  148    H    SER  21           H        SER  21   7.791  -3.092   9.075
  149    HA   SER  21           HA       SER  21   6.426  -5.494   8.194
  150    HB2  SER  21           2HB      SER  21   5.614  -4.232  10.177
  151    HB3  SER  21           3HB      SER  21   5.267  -2.855   9.132
  152    HG   SER  21           HG       SER  21   4.043  -4.745   7.947
  153    H    ILE  22           H        ILE  22   7.056  -2.233   7.100
  154    HA   ILE  22           HA       ILE  22   5.185  -2.173   4.975
  155    HB   ILE  22           HB       ILE  22   7.769  -0.624   5.220
  156   HG12  ILE  22          2HG1      ILE  22   4.981   0.149   6.109
  157   HG13  ILE  22          3HG1      ILE  22   6.268  -0.370   7.191
  158   HG21  ILE  22          1HG2      ILE  22   6.823  -0.578   2.977
  159   HG22  ILE  22          2HG2      ILE  22   6.662   0.997   3.754
  160   HG23  ILE  22          3HG2      ILE  22   5.266  -0.072   3.632
  161   HD11  ILE  22          3HD1      ILE  22   7.603   1.567   6.521
  162   HD12  ILE  22          1HD1      ILE  22   6.047   2.042   7.197
  163   HD13  ILE  22          2HD1      ILE  22   6.301   2.089   5.453
  164    H    ASP  23           H        ASP  23   8.677  -2.861   5.074
  165    HA   ASP  23           HA       ASP  23   8.838  -3.375   2.268
  166    HB2  ASP  23           2HB      ASP  23  10.744  -2.613   3.756
  167    HB3  ASP  23           3HB      ASP  23  10.813  -4.258   4.376
  168    H    ALA  24           H        ALA  24   7.702  -5.178   4.883
  169    HA   ALA  24           HA       ALA  24   8.276  -7.775   3.722
  170    HB1  ALA  24           3HB      ALA  24   7.080  -8.676   5.650
  171    HB2  ALA  24           1HB      ALA  24   6.612  -7.045   6.129
  172    HB3  ALA  24           2HB      ALA  24   8.311  -7.517   6.151
  173    H    LEU  25           H        LEU  25   6.011  -5.376   3.209
  174    HA   LEU  25           HA       LEU  25   3.646  -6.843   2.803
  175    HB2  LEU  25           2HB      LEU  25   4.641  -4.294   1.535
  176    HB3  LEU  25           3HB      LEU  25   3.039  -4.946   1.255
  177    HG   LEU  25           HG       LEU  25   4.125  -4.063   3.929
  178   HD11  LEU  25          1HD1      LEU  25   2.093  -2.792   2.099
  179   HD12  LEU  25          2HD1      LEU  25   3.717  -2.187   2.435
  180   HD13  LEU  25          3HD1      LEU  25   2.511  -2.236   3.721
  181   HD21  LEU  25          3HD2      LEU  25   1.836  -4.388   4.720
  182   HD22  LEU  25          1HD2      LEU  25   2.531  -5.899   4.133
  183   HD23  LEU  25          2HD2      LEU  25   1.375  -5.014   3.137
  184    HA   PRO  26           HA       PRO  26   4.593  -9.354  -0.664
  185    HB2  PRO  26           2HB      PRO  26   2.065  -9.570  -1.722
  186    HB3  PRO  26           3HB      PRO  26   2.647 -10.499  -0.337
  187    HG2  PRO  26           2HG      PRO  26   0.979  -8.022  -0.391
  188    HG3  PRO  26           3HG      PRO  26   0.824  -9.454   0.640
  189    HD2  PRO  26           2HD      PRO  26   1.931  -7.176   1.535
  190    HD3  PRO  26           3HD      PRO  26   2.517  -8.767   2.060
  191    H    GLU  27           H        GLU  27   5.624  -8.630  -2.400
  192    HA   GLU  27           HA       GLU  27   4.646  -6.273  -3.786
  193    HB2  GLU  27           2HB      GLU  27   7.188  -7.877  -4.080
  194    HB3  GLU  27           3HB      GLU  27   6.801  -6.457  -5.046
  195    HG2  GLU  27           2HG      GLU  27   6.689  -5.107  -3.022
  196    HG3  GLU  27           3HG      GLU  27   7.064  -6.526  -2.051
  197    H    ILE  28           H        ILE  28   3.063  -6.645  -5.127
  198    HA   ILE  28           HA       ILE  28   3.113  -8.986  -6.883
  199    HB   ILE  28           HB       ILE  28   0.948  -6.896  -6.552
  200   HG12  ILE  28          2HG1      ILE  28   1.105  -9.688  -5.386
  201   HG13  ILE  28          3HG1      ILE  28   1.357  -8.200  -4.478
  202   HG21  ILE  28          1HG2      ILE  28   0.911  -9.594  -7.905
  203   HG22  ILE  28          2HG2      ILE  28   0.864  -8.023  -8.706
  204   HG23  ILE  28          3HG2      ILE  28  -0.483  -8.535  -7.690
  205   HD11  ILE  28          3HD1      ILE  28  -0.945  -7.534  -4.938
  206   HD12  ILE  28          1HD1      ILE  28  -0.870  -9.092  -4.115
  207   HD13  ILE  28          2HD1      ILE  28  -1.194  -9.024  -5.848
  208    H    LEU  29           H        LEU  29   4.277  -8.685  -8.666
  209    HA   LEU  29           HA       LEU  29   4.857  -6.142  -9.776
  210    HB2  LEU  29           2HB      LEU  29   6.356  -8.052 -10.053
  211    HB3  LEU  29           3HB      LEU  29   5.125  -8.907 -10.962
  212    HG   LEU  29           HG       LEU  29   5.259  -7.190 -12.734
  213   HD11  LEU  29          1HD1      LEU  29   7.543  -6.102 -11.092
  214   HD12  LEU  29          2HD1      LEU  29   5.993  -5.306 -11.375
  215   HD13  LEU  29          3HD1      LEU  29   7.101  -5.584 -12.719
  216   HD21  LEU  29          3HD2      LEU  29   7.896  -8.463 -12.014
  217   HD22  LEU  29          1HD2      LEU  29   7.437  -7.866 -13.609
  218   HD23  LEU  29          2HD2      LEU  29   6.579  -9.233 -12.899
  219    H    VAL  30           H        VAL  30   3.494  -4.902 -10.873
  220    HA   VAL  30           HA       VAL  30   1.106  -6.033 -12.040
  221    HB   VAL  30           HB       VAL  30   2.048  -3.176 -12.295
  222   HG11  VAL  30          1HG1      VAL  30  -0.333  -2.706 -12.587
  223   HG12  VAL  30          2HG1      VAL  30  -0.696  -4.423 -12.423
  224   HG13  VAL  30          3HG1      VAL  30   0.248  -3.849 -13.797
  225   HG21  VAL  30          3HG2      VAL  30   0.345  -4.365 -10.105
  226   HG22  VAL  30          1HG2      VAL  30   0.705  -2.652 -10.326
  227   HG23  VAL  30          2HG2      VAL  30   2.000  -3.781  -9.924
  228    H    THR  31           H        THR  31   0.877  -6.615 -14.084
  229    HA   THR  31           HA       THR  31   2.963  -5.838 -16.006
  230    HB   THR  31           HB       THR  31   2.466  -7.978 -17.172
  231    HG1  THR  31           HG1      THR  31   1.305  -9.529 -15.649
  232   HG21  THR  31          3HG2      THR  31   3.254  -8.290 -14.270
  233   HG22  THR  31          1HG2      THR  31   4.335  -7.874 -15.598
  234   HG23  THR  31          2HG2      THR  31   3.568  -9.462 -15.550
  235    H    GLU  32           H        GLU  32   2.106  -5.994 -18.338
  236    HA   GLU  32           HA       GLU  32  -0.420  -4.572 -18.469
  237    HB2  GLU  32           2HB      GLU  32   1.666  -5.271 -20.533
  238    HB3  GLU  32           3HB      GLU  32   0.138  -4.503 -20.955
  239    HG2  GLU  32           2HG      GLU  32   0.664  -2.546 -19.827
  240    HG3  GLU  32           3HG      GLU  32   1.911  -3.323 -18.862
  241    H    ASP  33           H        ASP  33   0.283  -7.629 -18.074
  242    HA   ASP  33           HA       ASP  33  -1.747  -8.732 -19.867
  243    HB2  ASP  33           2HB      ASP  33  -0.080 -10.150 -17.768
  244    HB3  ASP  33           3HB      ASP  33  -1.061 -10.908 -19.018
  245    H    HIS  34           H        HIS  34  -1.441  -7.303 -16.872
  246    HA   HIS  34           HA       HIS  34  -3.894  -8.550 -15.838
  247    HB2  HIS  34           2HB      HIS  34  -2.073  -9.621 -14.672
  248    HB3  HIS  34           3HB      HIS  34  -1.297  -8.074 -14.359
  249    HD1  HIS  34           HD1      HIS  34  -2.520  -6.509 -12.581
  250    HD2  HIS  34           HD2      HIS  34  -3.886 -10.430 -12.777
  251    HE1  HIS  34           HE1      HIS  34  -3.769  -6.899 -10.436
  252    HE2  HIS  34           HE2      HIS  34  -4.520  -9.303 -10.533
  253    H    GLY  35           H        GLY  35  -5.365  -6.985 -15.639
  254    HA2  GLY  35           2HA      GLY  35  -4.558  -4.211 -15.437
  255    HA3  GLY  35           3HA      GLY  35  -6.203  -4.817 -15.564
  256    H    ALA  36           H        ALA  36  -7.437  -4.707 -13.809
  257    HA   ALA  36           HA       ALA  36  -6.552  -3.496 -11.436
  258    HB1  ALA  36           3HB      ALA  36  -8.745  -4.028 -10.527
  259    HB2  ALA  36           1HB      ALA  36  -9.034  -5.157 -11.852
  260    HB3  ALA  36           2HB      ALA  36  -8.882  -3.431 -12.182
  261    H    VAL  37           H        VAL  37  -5.985  -4.269  -9.456
  262    HA   VAL  37           HA       VAL  37  -4.990  -6.999  -9.447
  263    HB   VAL  37           HB       VAL  37  -4.622  -4.943  -7.270
  264   HG11  VAL  37          1HG1      VAL  37  -4.037  -7.226  -6.664
  265   HG12  VAL  37          2HG1      VAL  37  -2.591  -6.223  -6.785
  266   HG13  VAL  37          3HG1      VAL  37  -2.995  -7.348  -8.082
  267   HG21  VAL  37          3HG2      VAL  37  -3.900  -3.961  -9.383
  268   HG22  VAL  37          1HG2      VAL  37  -2.899  -5.377  -9.707
  269   HG23  VAL  37          2HG2      VAL  37  -2.517  -4.319  -8.347
  270    H    GLY  38           H        GLY  38  -7.633  -5.219  -8.212
  271    HA2  GLY  38           2HA      GLY  38  -8.955  -7.449  -7.188
  272    HA3  GLY  38           3HA      GLY  38  -8.155  -6.649  -5.842
  273    H    GLN  39           H        GLN  39  -9.987  -5.963  -4.819
  274    HA   GLN  39           HA       GLN  39 -12.220  -4.781  -6.013
  275    HB2  GLN  39           2HB      GLN  39 -12.169  -5.676  -3.709
  276    HB3  GLN  39           3HB      GLN  39 -11.137  -4.339  -3.224
  277    HG2  GLN  39           2HG      GLN  39 -12.905  -2.761  -3.742
  278    HG3  GLN  39           3HG      GLN  39 -13.936  -4.081  -4.281
  279   HE21  GLN  39          1HE2      GLN  39 -12.532  -2.462  -1.572
  280   HE22  GLN  39          2HE2      GLN  39 -13.479  -3.246  -0.347
  281    H    GLU  40           H        GLU  40  -9.437  -3.260  -4.428
  282    HA   GLU  40           HA       GLU  40 -10.132  -0.628  -5.362
  283    HB2  GLU  40           2HB      GLU  40  -8.625  -1.463  -3.293
  284    HB3  GLU  40           3HB      GLU  40  -7.359  -1.247  -4.493
  285    HG2  GLU  40           2HG      GLU  40  -7.526   0.748  -3.207
  286    HG3  GLU  40           3HG      GLU  40  -8.144   1.081  -4.825
  287    H    MET  41           H        MET  41  -9.853  -0.045  -7.409
  288    HA   MET  41           HA       MET  41  -8.101  -1.704  -9.079
  289    HB2  MET  41           2HB      MET  41  -9.456  -0.964 -10.965
  290    HB3  MET  41           3HB      MET  41 -10.470  -1.637  -9.698
  291    HG2  MET  41           2HG      MET  41 -11.026   0.634  -8.955
  292    HG3  MET  41           3HG      MET  41 -10.046   1.289 -10.266
  293    HE1  MET  41           3HE      MET  41 -13.298  -0.620  -9.266
  294    HE2  MET  41           1HE      MET  41 -12.469  -1.841 -10.234
  295    HE3  MET  41           2HE      MET  41 -13.954  -1.099 -10.831
  296    H    CYS  42           H        CYS  42  -7.734   1.063  -7.484
  297    HA   CYS  42           HA       CYS  42  -5.855   2.101  -9.452
  298    HB2  CYS  42           2HB      CYS  42  -8.044   3.804  -8.230
  299    HB3  CYS  42           3HB      CYS  42  -6.684   4.427  -9.157
  300    HG   CYS  42           HG       CYS  42  -7.943   2.216 -11.090
  301    H    CYS  43           H        CYS  43  -4.594   3.986  -8.424
  302    HA   CYS  43           HA       CYS  43  -4.190   3.454  -5.555
  303    HB2  CYS  43           2HB      CYS  43  -2.352   2.482  -6.819
  304    HB3  CYS  43           3HB      CYS  43  -2.110   3.987  -7.692
  305    HA   PRO  44           HA       PRO  44  -5.503   7.817  -6.000
  306    HB2  PRO  44           2HB      PRO  44  -6.165   8.073  -3.346
  307    HB3  PRO  44           3HB      PRO  44  -7.255   7.446  -4.588
  308    HG2  PRO  44           2HG      PRO  44  -5.557   5.954  -2.626
  309    HG3  PRO  44           3HG      PRO  44  -7.228   5.638  -3.129
  310    HD2  PRO  44           2HD      PRO  44  -5.179   4.211  -4.104
  311    HD3  PRO  44           3HD      PRO  44  -6.573   4.640  -5.117
  312    H    ILE  45           H        ILE  45  -3.041   6.363  -4.125
  313    HA   ILE  45           HA       ILE  45  -2.056   8.676  -2.807
  314    HB   ILE  45           HB       ILE  45  -0.462   6.221  -3.564
  315   HG12  ILE  45          2HG1      ILE  45  -2.170   6.692  -1.106
  316   HG13  ILE  45          3HG1      ILE  45  -2.565   5.593  -2.422
  317   HG21  ILE  45          1HG2      ILE  45   0.840   6.780  -1.558
  318   HG22  ILE  45          2HG2      ILE  45  -0.155   8.216  -1.321
  319   HG23  ILE  45          3HG2      ILE  45   0.876   8.083  -2.745
  320   HD11  ILE  45          3HD1      ILE  45  -0.612   4.242  -1.888
  321   HD12  ILE  45          1HD1      ILE  45  -1.685   4.405  -0.497
  322   HD13  ILE  45          2HD1      ILE  45  -0.198   5.352  -0.580
  323    H    CYS  46           H        CYS  46  -1.781   7.470  -6.039
  324    HA   CYS  46           HA       CYS  46  -0.024   9.744  -6.664
  325    HB2  CYS  46           2HB      CYS  46   1.150   8.382  -8.348
  326    HB3  CYS  46           3HB      CYS  46   1.356   7.742  -6.721
  327    H    CYS  47           H        CYS  47  -2.872   8.029  -7.345
  328    HA   CYS  47           HA       CYS  47  -4.533   8.246  -8.851
  329    HB2  CYS  47           2HB      CYS  47  -3.055  10.787  -9.528
  330    HB3  CYS  47           3HB      CYS  47  -4.589  10.337 -10.265
  331    HG   CYS  47           HG       CYS  47  -3.989  11.178  -7.011
  332    H    SER  48           H        SER  48  -1.866   6.976  -9.501
  333    HA   SER  48           HA       SER  48  -2.151   6.920 -12.420
  334    HB2  SER  48           2HB      SER  48   0.060   5.743 -10.714
  335    HB3  SER  48           3HB      SER  48   0.037   5.855 -12.474
  336    HG   SER  48           HG       SER  48  -0.398   8.281 -11.502
  337    H    GLU  49           H        GLU  49  -2.614   5.012 -13.485
  338    HA   GLU  49           HA       GLU  49  -4.092   3.099 -11.924
  339    HB2  GLU  49           2HB      GLU  49  -4.616   2.076 -14.130
  340    HB3  GLU  49           3HB      GLU  49  -5.028   3.781 -14.029
  341    HG2  GLU  49           2HG      GLU  49  -2.931   4.315 -15.226
  342    HG3  GLU  49           3HG      GLU  49  -2.635   2.586 -15.408
  343    H    TYR  50           H        TYR  50  -3.811   0.694 -12.763
  344    HA   TYR  50           HA       TYR  50  -1.098  -0.008 -12.002
  345    HB2  TYR  50           2HB      TYR  50  -3.623  -1.636 -12.285
  346    HB3  TYR  50           3HB      TYR  50  -2.055  -2.348 -11.907
  347    HD1  TYR  50           HD2      TYR  50  -4.752  -0.187 -10.660
  348    HD2  TYR  50           HD1      TYR  50  -1.043  -2.055  -9.746
  349    HE1  TYR  50           HE2      TYR  50  -5.077   0.343  -8.283
  350    HE2  TYR  50           HE1      TYR  50  -1.358  -1.528  -7.367
  351    HH   TYR  50           HH       TYR  50  -4.313  -0.425  -6.087
  352    H    VAL  51           H        VAL  51   0.315   0.018 -13.600
  353    HA   VAL  51           HA       VAL  51  -0.258  -1.620 -15.970
  354    HB   VAL  51           HB       VAL  51   1.118  -0.076 -17.336
  355   HG11  VAL  51          1HG1      VAL  51  -0.564   1.688 -17.566
  356   HG12  VAL  51          2HG1      VAL  51  -1.269   1.212 -16.022
  357   HG13  VAL  51          3HG1      VAL  51  -1.308   0.099 -17.389
  358   HG21  VAL  51          3HG2      VAL  51   2.432   0.942 -15.556
  359   HG22  VAL  51          1HG2      VAL  51   0.985   1.718 -14.914
  360   HG23  VAL  51          2HG2      VAL  51   1.602   2.179 -16.500
  361    H    LYS  52           H        LYS  52   1.896  -2.126 -17.136
  362    HA   LYS  52           HA       LYS  52   3.523  -3.578 -15.359
  363    HB2  LYS  52           2HB      LYS  52   3.161  -4.146 -17.761
  364    HB3  LYS  52           3HB      LYS  52   4.165  -2.775 -18.207
  365    HG2  LYS  52           2HG      LYS  52   5.236  -4.939 -16.439
  366    HG3  LYS  52           3HG      LYS  52   5.172  -5.151 -18.186
  367    HD2  LYS  52           2HD      LYS  52   6.437  -2.712 -16.992
  368    HD3  LYS  52           3HD      LYS  52   7.334  -4.225 -17.090
  369    HE2  LYS  52           2HE      LYS  52   7.866  -2.893 -19.014
  370    HE3  LYS  52           3HE      LYS  52   6.898  -4.267 -19.535
  371    HZ1  LYS  52           3HZ      LYS  52   5.008  -2.887 -19.812
  372    HZ2  LYS  52           1HZ      LYS  52   6.304  -2.083 -20.552
  373    HZ3  LYS  52           2HZ      LYS  52   5.753  -1.572 -19.036
  374    H    GLY  53           H        GLY  53   5.050  -2.892 -14.051
  375    HA2  GLY  53           2HA      GLY  53   7.350  -1.782 -14.287
  376    HA3  GLY  53           3HA      GLY  53   6.406  -0.353 -14.680
  377    H    ASP  54           H        ASP  54   4.313  -0.721 -12.833
  378    HA   ASP  54           HA       ASP  54   5.697   0.189 -10.444
  379    HB2  ASP  54           2HB      ASP  54   3.551   1.218 -11.578
  380    HB3  ASP  54           3HB      ASP  54   2.712  -0.015 -10.652
  381    H    VAL  55           H        VAL  55   4.915  -0.598  -8.305
  382    HA   VAL  55           HA       VAL  55   4.522  -3.524  -8.413
  383    HB   VAL  55           HB       VAL  55   6.020  -1.945  -6.310
  384   HG11  VAL  55          1HG1      VAL  55   5.679  -4.919  -6.671
  385   HG12  VAL  55          2HG1      VAL  55   4.970  -3.931  -5.393
  386   HG13  VAL  55          3HG1      VAL  55   6.719  -4.144  -5.477
  387   HG21  VAL  55          3HG2      VAL  55   7.250  -1.994  -8.409
  388   HG22  VAL  55          1HG2      VAL  55   7.073  -3.747  -8.489
  389   HG23  VAL  55          2HG2      VAL  55   8.035  -3.014  -7.203
  390    H    ALA  56           H        ALA  56   2.696  -4.228  -7.530
  391    HA   ALA  56           HA       ALA  56   1.153  -2.410  -5.827
  392    HB1  ALA  56           3HB      ALA  56   0.004  -3.376  -7.758
  393    HB2  ALA  56           1HB      ALA  56  -0.725  -3.920  -6.248
  394    HB3  ALA  56           2HB      ALA  56   0.338  -4.997  -7.151
  395    H    THR  57           H        THR  57   0.028  -3.361  -3.952
  396    HA   THR  57           HA       THR  57   1.276  -5.739  -2.821
  397    HB   THR  57           HB       THR  57   2.625  -3.867  -1.954
  398    HG1  THR  57           HG1      THR  57   0.927  -4.869   0.102
  399   HG21  THR  57          3HG2      THR  57   1.626  -2.211  -0.444
  400   HG22  THR  57          1HG2      THR  57   0.023  -2.865  -0.792
  401   HG23  THR  57          2HG2      THR  57   0.956  -2.088  -2.070
  402    H    GLU  58           H        GLU  58   0.038  -6.653  -1.078
  403    HA   GLU  58           HA       GLU  58  -2.786  -5.851  -1.175
  404    HB2  GLU  58           2HB      GLU  58  -2.342  -8.144  -1.945
  405    HB3  GLU  58           3HB      GLU  58  -1.559  -8.512  -0.413
  406    HG2  GLU  58           2HG      GLU  58  -3.689  -8.099   0.749
  407    HG3  GLU  58           3HG      GLU  58  -4.458  -7.809  -0.810
  408    H    LEU  59           H        LEU  59  -3.440  -4.737   0.524
  409    HA   LEU  59           HA       LEU  59  -2.113  -5.034   3.093
  410    HB2  LEU  59           2HB      LEU  59  -4.431  -3.283   2.251
  411    HB3  LEU  59           3HB      LEU  59  -3.672  -3.251   3.831
  412    HG   LEU  59           HG       LEU  59  -2.358  -2.498   1.218
  413   HD11  LEU  59          1HD1      LEU  59  -2.329  -0.246   2.166
  414   HD12  LEU  59          2HD1      LEU  59  -3.213  -0.828   3.577
  415   HD13  LEU  59          3HD1      LEU  59  -3.976  -0.852   1.987
  416   HD21  LEU  59          3HD2      LEU  59  -0.768  -3.532   2.756
  417   HD22  LEU  59          1HD2      LEU  59  -1.276  -2.428   4.034
  418   HD23  LEU  59          2HD2      LEU  59  -0.465  -1.802   2.599
  419    HA   PRO  60           HA       PRO  60  -4.717  -8.181   4.681
  420    HB2  PRO  60           2HB      PRO  60  -4.962  -7.259   7.291
  421    HB3  PRO  60           3HB      PRO  60  -3.624  -8.226   6.671
  422    HG2  PRO  60           2HG      PRO  60  -3.804  -5.269   7.059
  423    HG3  PRO  60           3HG      PRO  60  -2.436  -6.359   7.353
  424    HD2  PRO  60           2HD      PRO  60  -2.515  -4.805   5.183
  425    HD3  PRO  60           3HD      PRO  60  -1.873  -6.459   5.099
  426    H    CYS  61           H        CYS  61  -5.648  -4.864   4.833
  427    HA   CYS  61           HA       CYS  61  -8.341  -5.463   5.727
  428    HB2  CYS  61           2HB      CYS  61  -8.698  -3.084   5.729
  429    HB3  CYS  61           3HB      CYS  61  -7.136  -3.408   6.473
  430    H    HIS  62           H        HIS  62  -7.143  -6.388   3.099
  431    HA   HIS  62           HA       HIS  62  -8.056  -7.054   1.126
  432    HB2  HIS  62           2HB      HIS  62 -10.604  -5.664   1.969
  433    HB3  HIS  62           3HB      HIS  62 -10.435  -6.966   0.798
  434    HD1  HIS  62           HD1      HIS  62 -11.604  -6.453   4.049
  435    HD2  HIS  62           HD2      HIS  62  -9.178  -9.356   2.318
  436    HE1  HIS  62           HE1      HIS  62 -11.675  -8.420   5.618
  437    HE2  HIS  62           HE2      HIS  62 -10.045 -10.088   4.648
  438    H    HIS  63           H        HIS  63  -6.657  -4.547   1.285
  439    HA   HIS  63           HA       HIS  63  -7.901  -3.209  -1.014
  440    HB2  HIS  63           2HB      HIS  63  -6.792  -1.963   1.473
  441    HB3  HIS  63           3HB      HIS  63  -6.691  -1.091  -0.055
  442    HD2  HIS  63           HD2      HIS  63  -9.775  -2.104  -1.036
  443    HE1  HIS  63           HE1      HIS  63 -10.950   0.301   2.249
  444    HE2  HIS  63           HE2      HIS  63 -11.667  -0.726   0.072
  445    H    TYR  64           H        TYR  64  -6.563  -2.554  -2.634
  446    HA   TYR  64           HA       TYR  64  -3.780  -3.486  -2.428
  447    HB2  TYR  64           2HB      TYR  64  -5.601  -3.357  -4.840
  448    HB3  TYR  64           3HB      TYR  64  -3.892  -3.771  -4.905
  449    HD1  TYR  64           HD1      TYR  64  -7.228  -4.913  -3.901
  450    HD2  TYR  64           HD2      TYR  64  -3.100  -5.915  -4.126
  451    HE1  TYR  64           HE1      TYR  64  -7.782  -7.271  -3.481
  452    HE2  TYR  64           HE2      TYR  64  -3.644  -8.273  -3.709
  453    HH   TYR  64           HH       TYR  64  -5.360  -9.617  -2.757
  454    H    PHE  65           H        PHE  65  -2.210  -2.098  -2.823
  455    HA   PHE  65           HA       PHE  65  -2.721   0.354  -4.321
  456    HB2  PHE  65           2HB      PHE  65  -1.469   0.298  -1.558
  457    HB3  PHE  65           3HB      PHE  65  -1.487   1.698  -2.622
  458    HD1  PHE  65           HD2      PHE  65  -3.699   2.726  -3.228
  459    HD2  PHE  65           HD1      PHE  65  -3.279  -0.193  -0.162
  460    HE1  PHE  65           HE2      PHE  65  -5.866   3.409  -2.286
  461    HE2  PHE  65           HE1      PHE  65  -5.444   0.485   0.786
  462    HZ   PHE  65           HZ       PHE  65  -6.742   2.289  -0.275
  463    H    HIS  66           H        HIS  66  -0.478   1.497  -4.611
  464    HA   HIS  66           HA       HIS  66   1.443  -0.517  -5.409
  465    HB2  HIS  66           2HB      HIS  66   1.521   2.499  -5.567
  466    HB3  HIS  66           3HB      HIS  66   2.829   1.461  -6.116
  467    HD2  HIS  66           HD2      HIS  66   1.190  -0.672  -7.914
  468    HE1  HIS  66           HE1      HIS  66  -0.341   2.751  -9.903
  469    HE2  HIS  66           HE2      HIS  66   0.223   0.309 -10.103
  470    H    LYS  67           H        LYS  67   3.225  -1.086  -4.315
  471    HA   LYS  67           HA       LYS  67   3.346  -0.581  -1.563
  472    HB2  LYS  67           2HB      LYS  67   4.230  -2.612  -2.691
  473    HB3  LYS  67           3HB      LYS  67   5.572  -1.652  -3.299
  474    HG2  LYS  67           2HG      LYS  67   6.377  -1.256  -1.075
  475    HG3  LYS  67           3HG      LYS  67   4.950  -2.028  -0.379
  476    HD2  LYS  67           2HD      LYS  67   5.593  -4.149  -1.407
  477    HD3  LYS  67           3HD      LYS  67   7.018  -3.380  -2.107
  478    HE2  LYS  67           2HE      LYS  67   7.895  -2.934   0.107
  479    HE3  LYS  67           3HE      LYS  67   6.442  -3.605   0.845
  480    HZ1  LYS  67           3HZ      LYS  67   6.980  -5.755  -0.066
  481    HZ2  LYS  67           1HZ      LYS  67   8.303  -5.182   0.825
  482    HZ3  LYS  67           2HZ      LYS  67   8.339  -5.129  -0.870
  483    HA   PRO  68           HA       PRO  68   7.172   2.341  -2.518
  484    HB2  PRO  68           2HB      PRO  68   6.919   3.644  -4.941
  485    HB3  PRO  68           3HB      PRO  68   7.987   2.270  -4.639
  486    HG2  PRO  68           2HG      PRO  68   5.264   2.321  -5.875
  487    HG3  PRO  68           3HG      PRO  68   6.694   1.383  -6.348
  488    HD2  PRO  68           2HD      PRO  68   4.687   0.257  -4.986
  489    HD3  PRO  68           3HD      PRO  68   6.379  -0.183  -4.664
  490    H    CYS  69           H        CYS  69   3.872   2.798  -3.483
  491    HA   CYS  69           HA       CYS  69   3.866   5.636  -2.932
  492    HB2  CYS  69           2HB      CYS  69   1.541   3.752  -3.394
  493    HB3  CYS  69           3HB      CYS  69   1.468   5.510  -3.396
  494    H    VAL  70           H        VAL  70   2.697   2.658  -1.404
  495    HA   VAL  70           HA       VAL  70   1.400   4.098   0.717
  496    HB   VAL  70           HB       VAL  70   0.532   1.941  -0.182
  497   HG11  VAL  70          1HG1      VAL  70   1.518  -0.160   0.607
  498   HG12  VAL  70          2HG1      VAL  70   2.871   0.743   1.290
  499   HG13  VAL  70          3HG1      VAL  70   2.608   0.732  -0.454
  500   HG21  VAL  70          3HG2      VAL  70  -0.105   1.002   2.000
  501   HG22  VAL  70          1HG2      VAL  70  -0.244   2.760   1.959
  502   HG23  VAL  70          2HG2      VAL  70   1.124   2.002   2.775
  503    H    SER  71           H        SER  71   4.527   2.668   0.210
  504    HA   SER  71           HA       SER  71   5.309   2.214   2.853
  505    HB2  SER  71           2HB      SER  71   7.660   2.638   1.910
  506    HB3  SER  71           3HB      SER  71   6.716   1.348   1.168
  507    HG   SER  71           HG       SER  71   7.099   2.376  -0.612
  508    H    ILE  72           H        ILE  72   5.703   5.121   0.849
  509    HA   ILE  72           HA       ILE  72   6.924   6.729   2.803
  510    HB   ILE  72           HB       ILE  72   5.121   7.627   0.546
  511   HG12  ILE  72          2HG1      ILE  72   8.130   7.290   0.593
  512   HG13  ILE  72          3HG1      ILE  72   7.007   6.190  -0.200
  513   HG21  ILE  72          1HG2      ILE  72   7.247   9.122   2.082
  514   HG22  ILE  72          2HG2      ILE  72   5.505   9.377   2.199
  515   HG23  ILE  72          3HG2      ILE  72   6.350   9.742   0.694
  516   HD11  ILE  72          3HD1      ILE  72   8.052   7.696  -1.790
  517   HD12  ILE  72          1HD1      ILE  72   7.433   9.086  -0.900
  518   HD13  ILE  72          2HD1      ILE  72   6.314   7.982  -1.701
  519    H    TRP  73           H        TRP  73   3.537   6.209   1.964
  520    HA   TRP  73           HA       TRP  73   2.425   8.153   3.661
  521    HB2  TRP  73           2HB      TRP  73   1.140   7.170   1.853
  522    HB3  TRP  73           3HB      TRP  73   1.244   5.580   2.598
  523    HD1  TRP  73           HD1      TRP  73  -0.491   5.000   4.474
  524    HE1  TRP  73           HE1      TRP  73  -2.567   6.198   5.407
  525    HE3  TRP  73           HE3      TRP  73   0.223   9.603   2.367
  526    HZ2  TRP  73           HZ2      TRP  73  -3.744   8.763   5.266
  527    HZ3  TRP  73           HZ3      TRP  73  -1.424  11.372   2.816
  528    HH2  TRP  73           HH2      TRP  73  -3.366  10.960   4.235
  529    H    LEU  74           H        LEU  74   3.124   4.714   4.186
  530    HA   LEU  74           HA       LEU  74   1.900   4.542   6.728
  531    HB2  LEU  74           2HB      LEU  74   4.082   2.879   5.479
  532    HB3  LEU  74           3HB      LEU  74   3.302   2.484   6.999
  533    HG   LEU  74           HG       LEU  74   1.918   2.665   4.321
  534   HD11  LEU  74          1HD1      LEU  74   1.719   0.236   4.510
  535   HD12  LEU  74          2HD1      LEU  74   2.666   0.273   5.997
  536   HD13  LEU  74          3HD1      LEU  74   3.409   0.742   4.468
  537   HD21  LEU  74          3HD2      LEU  74   0.890   1.799   7.022
  538   HD22  LEU  74          1HD2      LEU  74   0.001   1.710   5.503
  539   HD23  LEU  74          2HD2      LEU  74   0.450   3.279   6.171
  540    H    GLN  75           H        GLN  75   4.996   5.718   5.717
  541    HA   GLN  75           HA       GLN  75   6.210   5.653   8.312
  542    HB2  GLN  75           2HB      GLN  75   6.913   7.252   5.843
  543    HB3  GLN  75           3HB      GLN  75   7.908   7.144   7.289
  544    HG2  GLN  75           2HG      GLN  75   8.246   4.793   6.950
  545    HG3  GLN  75           3HG      GLN  75   7.120   4.789   5.592
  546   HE21  GLN  75          1HE2      GLN  75   8.624   4.036   4.150
  547   HE22  GLN  75          2HE2      GLN  75   9.938   5.001   3.565
  548    H    LYS  76           H        LYS  76   4.074   7.772   6.631
  549    HA   LYS  76           HA       LYS  76   4.458   9.983   8.469
  550    HB2  LYS  76           2HB      LYS  76   2.296   9.560   6.390
  551    HB3  LYS  76           3HB      LYS  76   2.676  11.070   7.209
  552    HG2  LYS  76           2HG      LYS  76   4.574   9.606   5.388
  553    HG3  LYS  76           3HG      LYS  76   3.521  10.927   4.881
  554    HD2  LYS  76           2HD      LYS  76   4.621  12.442   6.413
  555    HD3  LYS  76           3HD      LYS  76   5.608  11.125   7.052
  556    HE2  LYS  76           2HE      LYS  76   6.717  10.861   4.933
  557    HE3  LYS  76           3HE      LYS  76   5.643  12.038   4.179
  558    HZ1  LYS  76           3HZ      LYS  76   6.589  13.775   5.463
  559    HZ2  LYS  76           1HZ      LYS  76   7.878  12.906   4.784
  560    HZ3  LYS  76           2HZ      LYS  76   7.475  12.695   6.419
  561    H    SER  77           H        SER  77   1.959   7.611   7.675
  562    HA   SER  77           HA       SER  77   1.158   7.407  10.431
  563    HB2  SER  77           2HB      SER  77  -1.254   7.937   9.904
  564    HB3  SER  77           3HB      SER  77  -0.176   9.333   9.865
  565    HG   SER  77           HG       SER  77  -0.502   7.962   7.469
  566    H    GLY  78           H        GLY  78   0.745   5.306  10.771
  567    HA2  GLY  78           2HA      GLY  78   0.524   3.511   8.525
  568    HA3  GLY  78           3HA      GLY  78   0.542   3.064  10.226
  569    H    THR  79           H        THR  79  -1.515   4.529   7.734
  570    HA   THR  79           HA       THR  79  -3.772   2.985   8.743
  571    HB   THR  79           HB       THR  79  -4.125   5.955   8.317
  572    HG1  THR  79           HG1      THR  79  -2.940   4.674  10.400
  573   HG21  THR  79          3HG2      THR  79  -6.125   4.572   8.181
  574   HG22  THR  79          1HG2      THR  79  -6.158   5.591   9.619
  575   HG23  THR  79          2HG2      THR  79  -5.762   3.879   9.762
  576    H    CYS  80           H        CYS  80  -5.147   2.377   7.132
  577    HA   CYS  80           HA       CYS  80  -4.389   2.863   4.406
  578    HB2  CYS  80           2HB      CYS  80  -5.405   0.728   5.268
  579    HB3  CYS  80           3HB      CYS  80  -6.920   1.585   5.463
  580    HA   PRO  81           HA       PRO  81  -6.386   6.869   4.347
  581    HB2  PRO  81           2HB      PRO  81  -6.275   6.407   1.406
  582    HB3  PRO  81           3HB      PRO  81  -5.733   7.797   2.350
  583    HG2  PRO  81           2HG      PRO  81  -3.982   6.050   1.369
  584    HG3  PRO  81           3HG      PRO  81  -3.751   6.774   2.969
  585    HD2  PRO  81           2HD      PRO  81  -4.655   4.029   2.241
  586    HD3  PRO  81           3HD      PRO  81  -3.668   4.568   3.615
  587    H    VAL  82           H        VAL  82  -7.555   4.242   2.278
  588    HA   VAL  82           HA       VAL  82  -9.988   5.552   1.588
  589    HB   VAL  82           HB       VAL  82  -9.257   2.634   1.319
  590   HG11  VAL  82          1HG1      VAL  82 -11.660   2.983   1.161
  591   HG12  VAL  82          2HG1      VAL  82 -10.986   2.579  -0.418
  592   HG13  VAL  82          3HG1      VAL  82 -11.411   4.249  -0.043
  593   HG21  VAL  82          3HG2      VAL  82  -7.678   4.088   0.171
  594   HG22  VAL  82          1HG2      VAL  82  -9.008   4.909  -0.646
  595   HG23  VAL  82          2HG2      VAL  82  -8.677   3.211  -0.989
  596    H    CYS  83           H        CYS  83  -9.116   3.371   4.208
  597    HA   CYS  83           HA       CYS  83 -11.968   3.276   4.952
  598    HB2  CYS  83           2HB      CYS  83 -11.625   0.999   5.823
  599    HB3  CYS  83           3HB      CYS  83 -11.310   1.095   4.093
  600    H    ARG  84           H        ARG  84  -8.768   3.913   5.902
  601    HA   ARG  84           HA       ARG  84  -7.884   4.869   7.737
  602    HB2  ARG  84           2HB      ARG  84 -10.701   5.009   8.793
  603    HB3  ARG  84           3HB      ARG  84  -9.314   5.856   9.450
  604    HG2  ARG  84           2HG      ARG  84  -9.093   7.153   7.431
  605    HG3  ARG  84           3HG      ARG  84 -10.395   6.239   6.669
  606    HD2  ARG  84           2HD      ARG  84 -11.914   7.049   8.478
  607    HD3  ARG  84           3HD      ARG  84 -10.603   8.092   9.034
  608    HE   ARG  84           HE       ARG  84 -10.702   9.062   6.695
  609   HH11  ARG  84          1HH1      ARG  84 -13.482   7.684   8.310
  610   HH12  ARG  84          2HH1      ARG  84 -14.637   8.602   7.403
  611   HH21  ARG  84          1HH2      ARG  84 -12.219  10.299   5.490
  612   HH22  ARG  84          2HH2      ARG  84 -13.922  10.103   5.805
  613    H    CYS  85           H        CYS  85  -8.461   1.967   7.448
  614    HA   CYS  85           HA       CYS  85  -8.492   0.962  10.132
  615    HB2  CYS  85           2HB      CYS  85  -9.188  -0.395   8.153
  616    HB3  CYS  85           3HB      CYS  85  -7.520  -0.375   7.592
  617    HG   CYS  85           HG       CYS  85  -8.710  -1.893  10.413
  618    H    MET  86           H        MET  86  -6.786   0.709  11.469
  619    HA   MET  86           HA       MET  86  -4.363   2.076  10.841
  620    HB2  MET  86           2HB      MET  86  -5.406   2.014  13.116
  621    HB3  MET  86           3HB      MET  86  -4.960   0.317  13.227
  622    HG2  MET  86           2HG      MET  86  -2.602   0.920  13.052
  623    HG3  MET  86           3HG      MET  86  -3.046   2.622  12.935
  624    HE1  MET  86           3HE      MET  86  -3.549  -0.016  16.687
  625    HE2  MET  86           1HE      MET  86  -2.742  -0.522  15.203
  626    HE3  MET  86           2HE      MET  86  -4.488  -0.277  15.216
  627    H    PHE  87           H        PHE  87  -2.341   1.270  10.479
  628    HA   PHE  87           HA       PHE  87  -2.065  -1.647  10.219
  629    HB2  PHE  87           2HB      PHE  87  -2.273  -0.601   7.979
  630    HB3  PHE  87           3HB      PHE  87  -0.895   0.430   8.348
  631    HD1  PHE  87           HD1      PHE  87  -1.940  -3.076   7.820
  632    HD2  PHE  87           HD2      PHE  87   1.311  -0.341   8.072
  633    HE1  PHE  87           HE1      PHE  87  -0.419  -4.811   6.961
  634    HE2  PHE  87           HE2      PHE  87   2.837  -2.068   7.214
  635    HZ   PHE  87           HZ       PHE  87   1.972  -4.306   6.657
  636    HA   PRO  88           HA       PRO  88  -0.590  -3.274  10.422
  637    HB2  PRO  88           2HB      PRO  88  -0.110  -4.522  12.811
  638    HB3  PRO  88           3HB      PRO  88   1.103  -4.330  11.541
  639    HG2  PRO  88           2HG      PRO  88   0.690  -2.725  14.029
  640    HG3  PRO  88           3HG      PRO  88   2.204  -3.275  13.285
  641    HD2  PRO  88           2HD      PRO  88   1.305  -0.745  13.021
  642    HD3  PRO  88           3HD      PRO  88   2.212  -1.567  11.737
  643    HA   PRO  89           HA       PRO  89  -4.758  -3.234  11.713
  644    HB2  PRO  89           2HB      PRO  89  -5.045  -5.944  12.416
  645    HB3  PRO  89           3HB      PRO  89  -5.334  -5.233  10.828
  646    HG2  PRO  89           2HG      PRO  89  -2.937  -6.665  11.857
  647    HG3  PRO  89           3HG      PRO  89  -3.626  -6.652  10.224
  648    HD2  PRO  89           2HD      PRO  89  -1.409  -5.277  10.799
  649    HD3  PRO  89           3HD      PRO  89  -2.631  -4.623   9.687
  650    HA   PRO  90           HA       PRO  90  -4.725  -2.605  16.072
  651    HB2  PRO  90           2HB      PRO  90  -7.425  -2.707  16.523
  652    HB3  PRO  90           3HB      PRO  90  -6.593  -1.304  15.843
  653    HG2  PRO  90           2HG      PRO  90  -8.076  -3.490  14.440
  654    HG3  PRO  90           3HG      PRO  90  -8.141  -1.739  14.156
  655    HD2  PRO  90           2HD      PRO  90  -6.700  -3.342  12.570
  656    HD3  PRO  90           3HD      PRO  90  -6.107  -1.728  13.020
  657    H    LEU  91           H        LEU  91  -4.780  -3.772  17.930
  658    HA   LEU  91           HA       LEU  91  -5.419  -6.621  17.608
  659    HB2  LEU  91           2HB      LEU  91  -3.591  -5.270  19.598
  660    HB3  LEU  91           3HB      LEU  91  -3.841  -7.000  19.449
  661    HG   LEU  91           HG       LEU  91  -2.619  -5.237  17.322
  662   HD11  LEU  91          1HD1      LEU  91  -1.168  -5.447  19.265
  663   HD12  LEU  91          2HD1      LEU  91  -0.523  -6.349  17.894
  664   HD13  LEU  91          3HD1      LEU  91  -1.331  -7.203  19.208
  665   HD21  LEU  91          3HD2      LEU  91  -3.798  -7.169  16.404
  666   HD22  LEU  91          1HD2      LEU  91  -2.898  -8.236  17.481
  667   HD23  LEU  91          2HD2      LEU  91  -2.051  -7.339  16.221
  Start of MODEL   14
    1    H1   MET   1           1H       MET   1 -27.883  -1.933   9.916
    2    H2   MET   1           2H       MET   1 -28.671  -3.425  10.077
    3    H3   MET   1           3H       MET   1 -27.103  -3.227  10.687
    4    HA   MET   1           HA       MET   1 -29.560  -1.889  11.654
    5    HB2  MET   1           2HB      MET   1 -27.777  -3.980  12.916
    6    HB3  MET   1           3HB      MET   1 -29.050  -3.120  13.769
    7    HG2  MET   1           2HG      MET   1 -30.703  -4.065  12.224
    8    HG3  MET   1           3HG      MET   1 -29.413  -4.954  11.412
    9    HE1  MET   1           3HE      MET   1 -27.937  -6.820  12.623
   10    HE2  MET   1           1HE      MET   1 -28.190  -7.339  14.291
   11    HE3  MET   1           2HE      MET   1 -27.583  -5.718  13.954
   12    H    GLY   2           H        GLY   2 -28.563   0.160  11.355
   13    HA2  GLY   2           2HA      GLY   2 -27.502   2.024  12.140
   14    HA3  GLY   2           3HA      GLY   2 -27.614   1.247  13.706
   15    H    HIS   3           H        HIS   3 -25.826   0.470  14.658
   16    HA   HIS   3           HA       HIS   3 -23.340   1.499  13.608
   17    HB2  HIS   3           2HB      HIS   3 -24.059   0.141  16.210
   18    HB3  HIS   3           3HB      HIS   3 -22.427   0.661  15.814
   19    HD1  HIS   3           HD1      HIS   3 -21.870   2.809  16.868
   20    HD2  HIS   3           HD2      HIS   3 -25.914   2.564  15.931
   21    HE1  HIS   3           HE1      HIS   3 -22.877   4.971  17.649
   22    HE2  HIS   3           HE2      HIS   3 -25.355   4.685  17.306
   23    H    HIS   4           H        HIS   4 -22.018   0.366  12.369
   24    HA   HIS   4           HA       HIS   4 -22.046  -2.514  12.332
   25    HB2  HIS   4           2HB      HIS   4 -20.760  -0.390  10.781
   26    HB3  HIS   4           3HB      HIS   4 -19.708  -1.774  11.075
   27    HD1  HIS   4           HD1      HIS   4 -21.923  -0.613   8.622
   28    HD2  HIS   4           HD2      HIS   4 -21.373  -4.297  10.474
   29    HE1  HIS   4           HE1      HIS   4 -22.954  -2.314   7.077
   30    HE2  HIS   4           HE2      HIS   4 -22.435  -4.548   8.131
   31    H    HIS   5           H        HIS   5 -20.199   0.066  13.773
   32    HA   HIS   5           HA       HIS   5 -18.527  -1.809  15.225
   33    HB2  HIS   5           2HB      HIS   5 -18.899   1.182  15.563
   34    HB3  HIS   5           3HB      HIS   5 -17.751   0.204  16.470
   35    HD1  HIS   5           HD1      HIS   5 -15.746  -0.854  15.041
   36    HD2  HIS   5           HD2      HIS   5 -18.025   2.059  13.134
   37    HE1  HIS   5           HE1      HIS   5 -14.367  -0.079  13.084
   38    HE2  HIS   5           HE2      HIS   5 -15.669   1.836  12.089
   39    H    HIS   6           H        HIS   6 -20.142  -3.082  16.127
   40    HA   HIS   6           HA       HIS   6 -22.317  -1.984  17.613
   41    HB2  HIS   6           2HB      HIS   6 -22.268  -4.226  16.421
   42    HB3  HIS   6           3HB      HIS   6 -21.271  -4.815  17.746
   43    HD1  HIS   6           HD1      HIS   6 -22.806  -6.358  18.939
   44    HD2  HIS   6           HD2      HIS   6 -24.594  -2.701  18.093
   45    HE1  HIS   6           HE1      HIS   6 -25.062  -6.429  20.055
   46    HE2  HIS   6           HE2      HIS   6 -26.177  -4.255  19.423
   47    H    HIS   7           H        HIS   7 -19.102  -3.069  18.325
   48    HA   HIS   7           HA       HIS   7 -19.431  -2.725  21.192
   49    HB2  HIS   7           2HB      HIS   7 -17.009  -3.278  19.461
   50    HB3  HIS   7           3HB      HIS   7 -16.915  -3.037  21.201
   51    HD1  HIS   7           HD1      HIS   7 -17.079  -5.093  22.566
   52    HD2  HIS   7           HD2      HIS   7 -18.756  -5.588  18.792
   53    HE1  HIS   7           HE1      HIS   7 -17.752  -7.510  22.435
   54    HE2  HIS   7           HE2      HIS   7 -18.609  -7.824  20.090
   55    H    HIS   8           H        HIS   8 -17.516  -1.240  22.161
   56    HA   HIS   8           HA       HIS   8 -17.847   1.339  20.805
   57    HB2  HIS   8           2HB      HIS   8 -18.491   1.195  23.205
   58    HB3  HIS   8           3HB      HIS   8 -16.819   0.807  23.601
   59    HD1  HIS   8           HD1      HIS   8 -18.731   3.615  21.867
   60    HD2  HIS   8           HD2      HIS   8 -15.328   2.991  24.178
   61    HE1  HIS   8           HE1      HIS   8 -17.784   5.903  22.316
   62    HE2  HIS   8           HE2      HIS   8 -15.657   5.493  23.609
   63    H    SER   9           H        SER   9 -16.349   1.327  19.241
   64    HA   SER   9           HA       SER   9 -13.717   0.312  19.543
   65    HB2  SER   9           2HB      SER   9 -14.689   2.268  17.452
   66    HB3  SER   9           3HB      SER   9 -13.362   1.114  17.313
   67    HG   SER   9           HG       SER   9 -14.823  -0.556  17.281
   68    H    HIS  10           H        HIS  10 -11.802   1.364  19.927
   69    HA   HIS  10           HA       HIS  10 -12.039   4.217  20.608
   70    HB2  HIS  10           2HB      HIS  10 -10.155   3.926  22.190
   71    HB3  HIS  10           3HB      HIS  10 -11.567   2.978  22.631
   72    HD1  HIS  10           HD1      HIS  10  -7.976   2.714  21.966
   73    HD2  HIS  10           HD2      HIS  10 -11.243   0.136  22.094
   74    HE1  HIS  10           HE1      HIS  10  -7.012   0.397  22.172
   75    HE2  HIS  10           HE2      HIS  10  -9.005  -1.121  22.432
   76    H    MET  11           H        MET  11 -11.624   4.855  18.529
   77    HA   MET  11           HA       MET  11  -8.886   4.367  17.564
   78    HB2  MET  11           2HB      MET  11 -11.390   5.063  16.013
   79    HB3  MET  11           3HB      MET  11  -9.780   5.000  15.310
   80    HG2  MET  11           2HG      MET  11  -9.613   2.642  15.823
   81    HG3  MET  11           3HG      MET  11 -11.181   2.681  16.626
   82    HE1  MET  11           3HE      MET  11 -10.200   4.579  13.337
   83    HE2  MET  11           1HE      MET  11 -10.651   3.409  12.096
   84    HE3  MET  11           2HE      MET  11  -9.301   3.070  13.180
   85    H    VAL  12           H        VAL  12  -7.645   6.007  18.146
   86    HA   VAL  12           HA       VAL  12  -8.811   8.716  18.147
   87    HB   VAL  12           HB       VAL  12  -6.593   7.664  19.912
   88   HG11  VAL  12          1HG1      VAL  12  -6.348  10.030  19.418
   89   HG12  VAL  12          2HG1      VAL  12  -6.828   9.797  21.099
   90   HG13  VAL  12          3HG1      VAL  12  -8.017  10.322  19.906
   91   HG21  VAL  12          3HG2      VAL  12  -8.733   6.697  20.546
   92   HG22  VAL  12          1HG2      VAL  12  -9.467   8.301  20.582
   93   HG23  VAL  12          2HG2      VAL  12  -8.213   7.878  21.747
   94    H    ALA  13           H        ALA  13  -5.503   7.438  18.352
   95    HA   ALA  13           HA       ALA  13  -4.811   8.870  15.897
   96    HB1  ALA  13           3HB      ALA  13  -2.829   9.847  16.951
   97    HB2  ALA  13           1HB      ALA  13  -3.322   9.173  18.505
   98    HB3  ALA  13           2HB      ALA  13  -4.312  10.409  17.726
   99    H    ASN  14           H        ASN  14  -3.697   7.590  14.608
  100    HA   ASN  14           HA       ASN  14  -2.620   5.100  15.697
  101    HB2  ASN  14           2HB      ASN  14  -3.116   5.895  12.818
  102    HB3  ASN  14           3HB      ASN  14  -2.632   4.300  13.381
  103   HD21  ASN  14          1HD2      ASN  14  -4.939   5.044  11.849
  104   HD22  ASN  14          2HD2      ASN  14  -6.325   4.559  12.771
  105    HA   PRO  15           HA       PRO  15   1.483   6.664  14.988
  106    HB2  PRO  15           2HB      PRO  15   2.853   4.500  15.762
  107    HB3  PRO  15           3HB      PRO  15   1.949   5.477  16.924
  108    HG2  PRO  15           2HG      PRO  15   1.241   2.855  15.692
  109    HG3  PRO  15           3HG      PRO  15   0.964   3.430  17.345
  110    HD2  PRO  15           2HD      PRO  15  -0.930   3.412  15.307
  111    HD3  PRO  15           3HD      PRO  15  -1.021   4.391  16.784
  112    HA   PRO  16           HA       PRO  16   2.671   5.389  10.912
  113    HB2  PRO  16           2HB      PRO  16   5.406   5.728  11.179
  114    HB3  PRO  16           3HB      PRO  16   4.258   7.010  10.786
  115    HG2  PRO  16           2HG      PRO  16   5.492   6.306  13.411
  116    HG3  PRO  16           3HG      PRO  16   5.136   7.903  12.726
  117    HD2  PRO  16           2HD      PRO  16   3.583   6.800  14.620
  118    HD3  PRO  16           3HD      PRO  16   2.902   7.800  13.320
  119    H    ALA  17           H        ALA  17   3.374   3.586   9.870
  120    HA   ALA  17           HA       ALA  17   3.696   1.247  11.483
  121    HB1  ALA  17           3HB      ALA  17   3.847   1.556   8.488
  122    HB2  ALA  17           1HB      ALA  17   2.388   1.214   9.420
  123    HB3  ALA  17           2HB      ALA  17   3.700   0.036   9.370
  124    H    SER  18           H        SER  18   5.418  -0.220  11.471
  125    HA   SER  18           HA       SER  18   7.996   0.962  11.533
  126    HB2  SER  18           2HB      SER  18   7.268  -1.978  11.582
  127    HB3  SER  18           3HB      SER  18   8.776  -1.256  12.147
  128    HG   SER  18           HG       SER  18   6.379  -0.298  13.224
  129    H    LYS  19           H        LYS  19   9.610   0.945  10.060
  130    HA   LYS  19           HA       LYS  19   8.858   0.846   7.359
  131    HB2  LYS  19           2HB      LYS  19  10.637   2.293   8.335
  132    HB3  LYS  19           3HB      LYS  19  11.663   0.872   8.474
  133    HG2  LYS  19           2HG      LYS  19  11.613   0.592   6.052
  134    HG3  LYS  19           3HG      LYS  19  10.574   2.011   5.908
  135    HD2  LYS  19           2HD      LYS  19  13.369   1.974   7.042
  136    HD3  LYS  19           3HD      LYS  19  12.916   2.553   5.437
  137    HE2  LYS  19           2HE      LYS  19  11.555   4.305   6.430
  138    HE3  LYS  19           3HE      LYS  19  11.915   3.697   8.044
  139    HZ1  LYS  19           3HZ      LYS  19  14.288   4.165   7.586
  140    HZ2  LYS  19           1HZ      LYS  19  13.318   5.555   7.603
  141    HZ3  LYS  19           2HZ      LYS  19  13.835   4.905   6.126
  142    H    GLU  20           H        GLU  20  10.605  -1.496   9.354
  143    HA   GLU  20           HA       GLU  20  11.388  -3.154   7.170
  144    HB2  GLU  20           2HB      GLU  20  11.047  -3.923  10.075
  145    HB3  GLU  20           3HB      GLU  20  11.935  -4.829   8.858
  146    HG2  GLU  20           2HG      GLU  20  12.641  -2.217  10.140
  147    HG3  GLU  20           3HG      GLU  20  13.574  -3.712  10.085
  148    H    SER  21           H        SER  21   8.609  -3.054   9.307
  149    HA   SER  21           HA       SER  21   7.429  -5.483   8.503
  150    HB2  SER  21           2HB      SER  21   5.948  -3.030   9.458
  151    HB3  SER  21           3HB      SER  21   5.488  -4.721   9.662
  152    HG   SER  21           HG       SER  21   6.722  -4.847  11.365
  153    H    ILE  22           H        ILE  22   7.459  -2.276   7.144
  154    HA   ILE  22           HA       ILE  22   5.287  -2.613   5.343
  155    HB   ILE  22           HB       ILE  22   7.655  -0.743   5.122
  156   HG12  ILE  22          2HG1      ILE  22   4.894  -0.242   6.260
  157   HG13  ILE  22          3HG1      ILE  22   6.347  -0.485   7.222
  158   HG21  ILE  22          1HG2      ILE  22   4.953  -0.658   3.784
  159   HG22  ILE  22          2HG2      ILE  22   6.490  -1.027   3.002
  160   HG23  ILE  22          3HG2      ILE  22   6.201   0.582   3.661
  161   HD11  ILE  22          3HD1      ILE  22   7.323   1.530   6.270
  162   HD12  ILE  22          1HD1      ILE  22   5.776   1.870   7.044
  163   HD13  ILE  22          2HD1      ILE  22   5.880   1.771   5.286
  164    H    ASP  23           H        ASP  23   8.788  -3.130   5.082
  165    HA   ASP  23           HA       ASP  23   8.706  -3.759   2.302
  166    HB2  ASP  23           2HB      ASP  23  10.778  -3.006   3.412
  167    HB3  ASP  23           3HB      ASP  23  10.814  -4.501   4.342
  168    H    ALA  24           H        ALA  24   8.153  -5.528   5.211
  169    HA   ALA  24           HA       ALA  24   8.542  -8.149   4.229
  170    HB1  ALA  24           3HB      ALA  24   8.467  -7.598   6.620
  171    HB2  ALA  24           1HB      ALA  24   7.330  -8.879   6.197
  172    HB3  ALA  24           2HB      ALA  24   6.746  -7.237   6.470
  173    H    LEU  25           H        LEU  25   6.084  -5.866   3.638
  174    HA   LEU  25           HA       LEU  25   3.868  -7.551   3.211
  175    HB2  LEU  25           2HB      LEU  25   4.593  -4.900   1.965
  176    HB3  LEU  25           3HB      LEU  25   3.043  -5.691   1.752
  177    HG   LEU  25           HG       LEU  25   4.169  -4.749   4.391
  178   HD11  LEU  25          1HD1      LEU  25   1.972  -3.606   2.671
  179   HD12  LEU  25          2HD1      LEU  25   3.563  -2.893   2.938
  180   HD13  LEU  25          3HD1      LEU  25   2.427  -3.040   4.279
  181   HD21  LEU  25          3HD2      LEU  25   1.961  -5.264   5.279
  182   HD22  LEU  25          1HD2      LEU  25   2.715  -6.710   4.605
  183   HD23  LEU  25          2HD2      LEU  25   1.452  -5.871   3.704
  184    HA   PRO  26           HA       PRO  26   4.959  -9.828  -0.383
  185    HB2  PRO  26           2HB      PRO  26   2.462 -10.148  -1.473
  186    HB3  PRO  26           3HB      PRO  26   3.078 -11.092  -0.114
  187    HG2  PRO  26           2HG      PRO  26   1.282  -8.699  -0.099
  188    HG3  PRO  26           3HG      PRO  26   1.177 -10.185   0.864
  189    HD2  PRO  26           2HD      PRO  26   2.160  -7.912   1.897
  190    HD3  PRO  26           3HD      PRO  26   2.826  -9.498   2.340
  191    H    GLU  27           H        GLU  27   5.792  -9.206  -2.259
  192    HA   GLU  27           HA       GLU  27   4.839  -6.734  -3.486
  193    HB2  GLU  27           2HB      GLU  27   7.214  -8.429  -4.276
  194    HB3  GLU  27           3HB      GLU  27   6.884  -6.772  -4.764
  195    HG2  GLU  27           2HG      GLU  27   7.169  -6.040  -2.446
  196    HG3  GLU  27           3HG      GLU  27   7.517  -7.702  -1.973
  197    H    ILE  28           H        ILE  28   3.351  -6.841  -5.016
  198    HA   ILE  28           HA       ILE  28   3.263  -9.231  -6.747
  199    HB   ILE  28           HB       ILE  28   0.993  -7.340  -6.083
  200   HG12  ILE  28          2HG1      ILE  28   1.464 -10.183  -5.148
  201   HG13  ILE  28          3HG1      ILE  28   1.699  -8.746  -4.158
  202   HG21  ILE  28          1HG2      ILE  28   1.014  -9.943  -7.611
  203   HG22  ILE  28          2HG2      ILE  28   0.795  -8.335  -8.300
  204   HG23  ILE  28          3HG2      ILE  28  -0.420  -8.996  -7.206
  205   HD11  ILE  28          3HD1      ILE  28  -0.679  -8.231  -4.348
  206   HD12  ILE  28          1HD1      ILE  28  -0.410  -9.830  -3.653
  207   HD13  ILE  28          2HD1      ILE  28  -0.909  -9.674  -5.336
  208    H    LEU  29           H        LEU  29   3.554  -8.930  -8.884
  209    HA   LEU  29           HA       LEU  29   4.269  -6.302  -9.816
  210    HB2  LEU  29           2HB      LEU  29   5.465  -8.306 -10.589
  211    HB3  LEU  29           3HB      LEU  29   3.990  -8.903 -11.326
  212    HG   LEU  29           HG       LEU  29   3.989  -6.909 -12.825
  213   HD11  LEU  29          1HD1      LEU  29   6.714  -6.448 -11.626
  214   HD12  LEU  29          2HD1      LEU  29   5.301  -5.409 -11.443
  215   HD13  LEU  29          3HD1      LEU  29   6.050  -5.608 -13.028
  216   HD21  LEU  29          3HD2      LEU  29   6.448  -8.651 -12.929
  217   HD22  LEU  29          1HD2      LEU  29   5.796  -7.709 -14.269
  218   HD23  LEU  29          2HD2      LEU  29   4.862  -9.044 -13.594
  219    H    VAL  30           H        VAL  30   2.973  -4.871 -10.715
  220    HA   VAL  30           HA       VAL  30   0.223  -5.543 -11.283
  221    HB   VAL  30           HB       VAL  30   1.677  -2.929 -11.716
  222   HG11  VAL  30          1HG1      VAL  30  -1.262  -3.577 -11.608
  223   HG12  VAL  30          2HG1      VAL  30  -0.344  -3.117 -13.044
  224   HG13  VAL  30          3HG1      VAL  30  -0.574  -1.959 -11.733
  225   HG21  VAL  30          3HG2      VAL  30   0.645  -2.216  -9.616
  226   HG22  VAL  30          1HG2      VAL  30   1.727  -3.587  -9.370
  227   HG23  VAL  30          2HG2      VAL  30  -0.020  -3.835  -9.393
  228    H    THR  31           H        THR  31  -0.658  -5.882 -13.246
  229    HA   THR  31           HA       THR  31   1.019  -5.393 -15.608
  230    HB   THR  31           HB       THR  31  -0.122  -7.434 -16.608
  231    HG1  THR  31           HG1      THR  31  -0.520  -8.273 -13.932
  232   HG21  THR  31          3HG2      THR  31   1.438  -9.002 -15.548
  233   HG22  THR  31          1HG2      THR  31   1.715  -7.845 -14.245
  234   HG23  THR  31          2HG2      THR  31   2.216  -7.457 -15.891
  235    H    GLU  32           H        GLU  32   0.078  -4.208 -17.153
  236    HA   GLU  32           HA       GLU  32  -2.547  -3.142 -16.642
  237    HB2  GLU  32           2HB      GLU  32  -2.054  -1.659 -18.542
  238    HB3  GLU  32           3HB      GLU  32  -0.756  -1.666 -17.354
  239    HG2  GLU  32           2HG      GLU  32   0.394  -3.373 -18.812
  240    HG3  GLU  32           3HG      GLU  32  -0.812  -2.995 -20.040
  241    H    ASP  33           H        ASP  33  -1.353  -5.759 -18.391
  242    HA   ASP  33           HA       ASP  33  -3.496  -5.782 -20.346
  243    HB2  ASP  33           2HB      ASP  33  -2.596  -7.955 -21.032
  244    HB3  ASP  33           3HB      ASP  33  -1.312  -6.756 -20.942
  245    H    HIS  34           H        HIS  34  -3.236  -6.310 -17.143
  246    HA   HIS  34           HA       HIS  34  -5.580  -8.091 -17.099
  247    HB2  HIS  34           2HB      HIS  34  -3.550  -8.908 -15.861
  248    HB3  HIS  34           3HB      HIS  34  -3.648  -7.480 -14.841
  249    HD1  HIS  34           HD1      HIS  34  -5.452 -10.703 -15.583
  250    HD2  HIS  34           HD2      HIS  34  -5.485  -7.625 -12.782
  251    HE1  HIS  34           HE1      HIS  34  -6.936 -11.500 -13.709
  252    HE2  HIS  34           HE2      HIS  34  -7.043  -9.573 -12.084
  253    H    GLY  35           H        GLY  35  -7.427  -7.069 -16.692
  254    HA2  GLY  35           2HA      GLY  35  -7.794  -4.399 -16.770
  255    HA3  GLY  35           3HA      GLY  35  -8.936  -5.475 -15.994
  256    H    ALA  36           H        ALA  36  -7.704  -6.184 -13.682
  257    HA   ALA  36           HA       ALA  36  -6.623  -3.873 -12.342
  258    HB1  ALA  36           3HB      ALA  36  -9.010  -3.313 -12.411
  259    HB2  ALA  36           1HB      ALA  36  -8.457  -3.602 -10.763
  260    HB3  ALA  36           2HB      ALA  36  -9.390  -4.837 -11.608
  261    H    VAL  37           H        VAL  37  -5.461  -4.483 -10.588
  262    HA   VAL  37           HA       VAL  37  -5.267  -7.328 -10.071
  263    HB   VAL  37           HB       VAL  37  -3.657  -5.107  -8.801
  264   HG11  VAL  37          1HG1      VAL  37  -3.109  -8.059  -9.087
  265   HG12  VAL  37          2HG1      VAL  37  -3.547  -7.219  -7.598
  266   HG13  VAL  37          3HG1      VAL  37  -2.008  -6.872  -8.387
  267   HG21  VAL  37          3HG2      VAL  37  -1.936  -5.591 -10.480
  268   HG22  VAL  37          1HG2      VAL  37  -3.423  -4.991 -11.219
  269   HG23  VAL  37          2HG2      VAL  37  -3.039  -6.712 -11.279
  270    H    GLY  38           H        GLY  38  -7.502  -7.299  -9.166
  271    HA2  GLY  38           2HA      GLY  38  -8.839  -7.691  -7.345
  272    HA3  GLY  38           3HA      GLY  38  -7.365  -7.734  -6.394
  273    H    GLN  39           H        GLN  39  -8.009  -4.833  -8.116
  274    HA   GLN  39           HA       GLN  39  -9.427  -3.527  -5.981
  275    HB2  GLN  39           2HB      GLN  39  -6.970  -3.703  -5.249
  276    HB3  GLN  39           3HB      GLN  39  -6.614  -2.584  -6.553
  277    HG2  GLN  39           2HG      GLN  39  -6.771  -1.419  -4.447
  278    HG3  GLN  39           3HG      GLN  39  -8.073  -0.918  -5.522
  279   HE21  GLN  39          1HE2      GLN  39  -8.122  -3.984  -3.875
  280   HE22  GLN  39          2HE2      GLN  39  -9.399  -3.599  -2.766
  281    H    GLU  40           H        GLU  40  -9.555  -1.087  -6.540
  282    HA   GLU  40           HA       GLU  40 -10.402  -0.713  -9.169
  283    HB2  GLU  40           2HB      GLU  40 -11.089   0.736  -7.312
  284    HB3  GLU  40           3HB      GLU  40  -9.448   1.352  -7.174
  285    HG2  GLU  40           2HG      GLU  40  -9.592   2.469  -9.250
  286    HG3  GLU  40           3HG      GLU  40 -11.089   1.637  -9.673
  287    H    MET  41           H        MET  41  -9.448   0.273 -10.961
  288    HA   MET  41           HA       MET  41  -6.646  -0.284 -11.241
  289    HB2  MET  41           2HB      MET  41  -6.951   0.412 -13.577
  290    HB3  MET  41           3HB      MET  41  -8.179  -0.741 -13.075
  291    HG2  MET  41           2HG      MET  41  -9.827   0.959 -12.909
  292    HG3  MET  41           3HG      MET  41  -8.624   2.231 -13.103
  293    HE1  MET  41           3HE      MET  41 -10.489  -0.751 -14.867
  294    HE2  MET  41           1HE      MET  41  -8.792  -1.142 -15.128
  295    HE3  MET  41           2HE      MET  41  -9.808  -0.677 -16.493
  296    H    CYS  42           H        CYS  42  -7.523   1.992  -9.454
  297    HA   CYS  42           HA       CYS  42  -5.735   4.008 -10.615
  298    HB2  CYS  42           2HB      CYS  42  -8.344   4.630  -9.212
  299    HB3  CYS  42           3HB      CYS  42  -7.202   5.808  -9.857
  300    HG   CYS  42           HG       CYS  42  -7.611   4.405 -12.503
  301    H    CYS  43           H        CYS  43  -4.169   4.583  -9.261
  302    HA   CYS  43           HA       CYS  43  -4.377   3.805  -6.440
  303    HB2  CYS  43           2HB      CYS  43  -2.373   3.043  -7.588
  304    HB3  CYS  43           3HB      CYS  43  -2.015   4.677  -8.124
  305    HA   PRO  44           HA       PRO  44  -5.733   8.054  -5.853
  306    HB2  PRO  44           2HB      PRO  44  -5.706   7.860  -3.077
  307    HB3  PRO  44           3HB      PRO  44  -7.070   7.458  -4.121
  308    HG2  PRO  44           2HG      PRO  44  -5.032   5.666  -2.885
  309    HG3  PRO  44           3HG      PRO  44  -6.767   5.394  -3.127
  310    HD2  PRO  44           2HD      PRO  44  -4.942   4.238  -4.707
  311    HD3  PRO  44           3HD      PRO  44  -6.490   4.817  -5.359
  312    H    ILE  45           H        ILE  45  -3.003   6.607  -4.156
  313    HA   ILE  45           HA       ILE  45  -1.914   9.048  -3.189
  314    HB   ILE  45           HB       ILE  45  -0.384   6.488  -3.683
  315   HG12  ILE  45          2HG1      ILE  45  -2.014   7.244  -1.243
  316   HG13  ILE  45          3HG1      ILE  45  -2.484   6.037  -2.436
  317   HG21  ILE  45          1HG2      ILE  45   0.955   7.252  -1.771
  318   HG22  ILE  45          2HG2      ILE  45  -0.022   8.715  -1.678
  319   HG23  ILE  45          3HG2      ILE  45   0.983   8.416  -3.096
  320   HD11  ILE  45          3HD1      ILE  45  -0.557   4.683  -1.845
  321   HD12  ILE  45          1HD1      ILE  45  -1.550   5.022  -0.427
  322   HD13  ILE  45          2HD1      ILE  45  -0.043   5.904  -0.681
  323    H    CYS  46           H        CYS  46  -1.900   7.527  -6.256
  324    HA   CYS  46           HA       CYS  46   0.424   9.109  -7.137
  325    HB2  CYS  46           2HB      CYS  46  -0.842   6.638  -8.330
  326    HB3  CYS  46           3HB      CYS  46   0.419   7.569  -9.128
  327    H    CYS  47           H        CYS  47  -2.968   8.562  -7.598
  328    HA   CYS  47           HA       CYS  47  -4.568   9.504  -8.891
  329    HB2  CYS  47           2HB      CYS  47  -3.481  11.675  -8.305
  330    HB3  CYS  47           3HB      CYS  47  -2.458  11.515  -9.727
  331    HG   CYS  47           HG       CYS  47  -4.800  11.448 -11.444
  332    H    SER  48           H        SER  48  -2.432   7.576  -9.785
  333    HA   SER  48           HA       SER  48  -2.889   7.775 -12.680
  334    HB2  SER  48           2HB      SER  48  -0.417   6.718 -11.285
  335    HB3  SER  48           3HB      SER  48  -0.683   6.736 -13.029
  336    HG   SER  48           HG       SER  48  -0.756   9.009 -12.940
  337    H    GLU  49           H        GLU  49  -2.768   5.663 -13.792
  338    HA   GLU  49           HA       GLU  49  -4.412   3.788 -12.335
  339    HB2  GLU  49           2HB      GLU  49  -4.646   2.688 -14.558
  340    HB3  GLU  49           3HB      GLU  49  -5.131   4.376 -14.543
  341    HG2  GLU  49           2HG      GLU  49  -2.952   4.984 -15.517
  342    HG3  GLU  49           3HG      GLU  49  -2.539   3.271 -15.591
  343    H    TYR  50           H        TYR  50  -3.972   1.386 -13.217
  344    HA   TYR  50           HA       TYR  50  -1.351   0.720 -12.131
  345    HB2  TYR  50           2HB      TYR  50  -3.921  -0.797 -12.481
  346    HB3  TYR  50           3HB      TYR  50  -2.409  -1.661 -12.212
  347    HD1  TYR  50           HD2      TYR  50  -4.806   0.720 -10.731
  348    HD2  TYR  50           HD1      TYR  50  -1.366  -1.685 -10.067
  349    HE1  TYR  50           HE2      TYR  50  -4.999   1.119  -8.311
  350    HE2  TYR  50           HE1      TYR  50  -1.551  -1.299  -7.648
  351    HH   TYR  50           HH       TYR  50  -4.278  -0.012  -6.187
  352    H    VAL  51           H        VAL  51   0.231   0.571 -13.559
  353    HA   VAL  51           HA       VAL  51  -0.352  -0.527 -16.222
  354    HB   VAL  51           HB       VAL  51   1.736   0.566 -16.965
  355   HG11  VAL  51          1HG1      VAL  51  -0.390   1.721 -17.232
  356   HG12  VAL  51          2HG1      VAL  51   0.906   2.870 -16.898
  357   HG13  VAL  51          3HG1      VAL  51  -0.227   2.422 -15.623
  358   HG21  VAL  51          3HG2      VAL  51   2.830   2.212 -15.507
  359   HG22  VAL  51          1HG2      VAL  51   2.943   0.580 -14.850
  360   HG23  VAL  51          2HG2      VAL  51   1.781   1.722 -14.176
  361    H    LYS  52           H        LYS  52   1.527  -1.730 -17.229
  362    HA   LYS  52           HA       LYS  52   2.181  -3.881 -15.426
  363    HB2  LYS  52           2HB      LYS  52   1.464  -4.394 -17.686
  364    HB3  LYS  52           3HB      LYS  52   2.798  -3.465 -18.352
  365    HG2  LYS  52           2HG      LYS  52   4.384  -5.060 -17.653
  366    HG3  LYS  52           3HG      LYS  52   3.219  -5.872 -16.607
  367    HD2  LYS  52           2HD      LYS  52   3.593  -7.150 -18.650
  368    HD3  LYS  52           3HD      LYS  52   1.932  -6.564 -18.566
  369    HE2  LYS  52           2HE      LYS  52   2.654  -6.227 -20.791
  370    HE3  LYS  52           3HE      LYS  52   2.661  -4.642 -20.020
  371    HZ1  LYS  52           3HZ      LYS  52   4.637  -5.103 -21.406
  372    HZ2  LYS  52           1HZ      LYS  52   5.069  -6.346 -20.343
  373    HZ3  LYS  52           2HZ      LYS  52   5.028  -4.743 -19.797
  374    H    GLY  53           H        GLY  53   3.907  -3.939 -14.205
  375    HA2  GLY  53           2HA      GLY  53   6.399  -3.960 -14.245
  376    HA3  GLY  53           3HA      GLY  53   6.288  -2.404 -15.057
  377    H    ASP  54           H        ASP  54   3.824  -2.220 -13.050
  378    HA   ASP  54           HA       ASP  54   5.302  -0.694 -11.077
  379    HB2  ASP  54           2HB      ASP  54   2.939  -0.207 -12.198
  380    HB3  ASP  54           3HB      ASP  54   2.359  -1.186 -10.862
  381    H    VAL  55           H        VAL  55   4.906  -1.035  -8.738
  382    HA   VAL  55           HA       VAL  55   4.693  -3.921  -8.161
  383    HB   VAL  55           HB       VAL  55   6.255  -1.848  -6.605
  384   HG11  VAL  55          1HG1      VAL  55   6.110  -4.848  -6.295
  385   HG12  VAL  55          2HG1      VAL  55   5.407  -3.659  -5.200
  386   HG13  VAL  55          3HG1      VAL  55   7.158  -3.768  -5.378
  387   HG21  VAL  55          3HG2      VAL  55   7.217  -4.026  -8.459
  388   HG22  VAL  55          1HG2      VAL  55   8.251  -3.007  -7.459
  389   HG23  VAL  55          2HG2      VAL  55   7.298  -2.290  -8.758
  390    H    ALA  56           H        ALA  56   2.905  -4.457  -7.132
  391    HA   ALA  56           HA       ALA  56   1.642  -2.471  -5.360
  392    HB1  ALA  56           3HB      ALA  56  -0.460  -3.649  -5.735
  393    HB2  ALA  56           1HB      ALA  56   0.368  -4.821  -6.762
  394    HB3  ALA  56           2HB      ALA  56   0.249  -3.134  -7.266
  395    H    THR  57           H        THR  57   0.411  -3.462  -3.533
  396    HA   THR  57           HA       THR  57   1.358  -6.054  -2.634
  397    HB   THR  57           HB       THR  57   3.027  -4.400  -1.763
  398    HG1  THR  57           HG1      THR  57   2.734  -6.277  -0.587
  399   HG21  THR  57          3HG2      THR  57   1.544  -2.483  -1.442
  400   HG22  THR  57          1HG2      THR  57   2.355  -2.905   0.067
  401   HG23  THR  57          2HG2      THR  57   0.669  -3.359  -0.185
  402    H    GLU  58           H        GLU  58   0.114  -6.823  -0.776
  403    HA   GLU  58           HA       GLU  58  -2.578  -5.642  -0.769
  404    HB2  GLU  58           2HB      GLU  58  -2.453  -7.933  -1.665
  405    HB3  GLU  58           3HB      GLU  58  -1.718  -8.480  -0.167
  406    HG2  GLU  58           2HG      GLU  58  -3.776  -7.825   1.035
  407    HG3  GLU  58           3HG      GLU  58  -4.505  -7.404  -0.514
  408    H    LEU  59           H        LEU  59  -3.008  -4.519   0.996
  409    HA   LEU  59           HA       LEU  59  -1.630  -4.886   3.477
  410    HB2  LEU  59           2HB      LEU  59  -4.142  -3.346   2.802
  411    HB3  LEU  59           3HB      LEU  59  -3.342  -3.294   4.362
  412    HG   LEU  59           HG       LEU  59  -2.167  -2.347   1.746
  413   HD11  LEU  59          1HD1      LEU  59  -3.163  -0.837   4.157
  414   HD12  LEU  59          2HD1      LEU  59  -3.918  -0.879   2.564
  415   HD13  LEU  59          3HD1      LEU  59  -2.337  -0.125   2.771
  416   HD21  LEU  59          3HD2      LEU  59  -1.058  -2.268   4.549
  417   HD22  LEU  59          1HD2      LEU  59  -0.340  -1.488   3.140
  418   HD23  LEU  59          2HD2      LEU  59  -0.450  -3.245   3.213
  419    HA   PRO  60           HA       PRO  60  -3.880  -8.193   5.303
  420    HB2  PRO  60           2HB      PRO  60  -4.194  -7.261   7.884
  421    HB3  PRO  60           3HB      PRO  60  -2.725  -8.017   7.258
  422    HG2  PRO  60           2HG      PRO  60  -3.378  -5.115   7.575
  423    HG3  PRO  60           3HG      PRO  60  -1.857  -5.966   7.909
  424    HD2  PRO  60           2HD      PRO  60  -2.166  -4.513   5.686
  425    HD3  PRO  60           3HD      PRO  60  -1.264  -6.043   5.662
  426    H    CYS  61           H        CYS  61  -5.202  -5.027   5.247
  427    HA   CYS  61           HA       CYS  61  -7.816  -5.897   6.191
  428    HB2  CYS  61           2HB      CYS  61  -8.450  -3.571   6.027
  429    HB3  CYS  61           3HB      CYS  61  -6.884  -3.668   6.828
  430    H    HIS  62           H        HIS  62  -6.343  -6.641   3.570
  431    HA   HIS  62           HA       HIS  62  -6.839  -7.117   1.418
  432    HB2  HIS  62           2HB      HIS  62  -9.681  -6.724   2.370
  433    HB3  HIS  62           3HB      HIS  62  -9.246  -7.363   0.789
  434    HD1  HIS  62           HD1      HIS  62  -8.103  -9.733   0.749
  435    HD2  HIS  62           HD2      HIS  62  -9.558  -8.518   4.453
  436    HE1  HIS  62           HE1      HIS  62  -8.173 -11.810   2.170
  437    HE2  HIS  62           HE2      HIS  62  -9.306 -11.084   4.305
  438    H    HIS  63           H        HIS  63  -5.729  -5.101   1.006
  439    HA   HIS  63           HA       HIS  63  -7.274  -3.524  -0.833
  440    HB2  HIS  63           2HB      HIS  63  -6.464  -2.424   1.791
  441    HB3  HIS  63           3HB      HIS  63  -6.060  -1.419   0.403
  442    HD2  HIS  63           HD2      HIS  63  -8.788  -1.879  -1.336
  443    HE1  HIS  63           HE1      HIS  63 -10.776  -0.425   2.110
  444    HE2  HIS  63           HE2      HIS  63 -11.005  -1.040  -0.321
  445    H    TYR  64           H        TYR  64  -6.052  -3.084  -2.541
  446    HA   TYR  64           HA       TYR  64  -3.203  -3.695  -2.339
  447    HB2  TYR  64           2HB      TYR  64  -4.987  -3.423  -4.767
  448    HB3  TYR  64           3HB      TYR  64  -3.278  -3.842  -4.811
  449    HD1  TYR  64           HD1      TYR  64  -6.625  -5.009  -3.788
  450    HD2  TYR  64           HD2      TYR  64  -2.549  -6.069  -4.371
  451    HE1  TYR  64           HE1      TYR  64  -7.223  -7.381  -3.583
  452    HE2  TYR  64           HE2      TYR  64  -3.136  -8.449  -4.173
  453    HH   TYR  64           HH       TYR  64  -5.134  -9.749  -2.951
  454    H    PHE  65           H        PHE  65  -1.698  -2.236  -2.577
  455    HA   PHE  65           HA       PHE  65  -2.224   0.255  -4.013
  456    HB2  PHE  65           2HB      PHE  65  -0.999   0.108  -1.239
  457    HB3  PHE  65           3HB      PHE  65  -0.978   1.539  -2.260
  458    HD1  PHE  65           HD2      PHE  65  -3.129   2.668  -2.826
  459    HD2  PHE  65           HD1      PHE  65  -2.877  -0.434   0.077
  460    HE1  PHE  65           HE2      PHE  65  -5.296   3.366  -1.893
  461    HE2  PHE  65           HE1      PHE  65  -5.043   0.260   1.012
  462    HZ   PHE  65           HZ       PHE  65  -6.256   2.163   0.029
  463    H    HIS  66           H        HIS  66   0.076   1.403  -4.237
  464    HA   HIS  66           HA       HIS  66   1.895  -0.692  -5.119
  465    HB2  HIS  66           2HB      HIS  66   2.203   2.311  -5.296
  466    HB3  HIS  66           3HB      HIS  66   3.290   1.131  -6.009
  467    HD2  HIS  66           HD2      HIS  66   1.340  -0.690  -7.745
  468    HE1  HIS  66           HE1      HIS  66  -0.182   2.947  -9.304
  469    HE2  HIS  66           HE2      HIS  66   0.253   0.514  -9.749
  470    H    LYS  67           H        LYS  67   3.617  -1.340  -3.996
  471    HA   LYS  67           HA       LYS  67   3.934  -0.771  -1.310
  472    HB2  LYS  67           2HB      LYS  67   4.802  -2.795  -2.359
  473    HB3  LYS  67           3HB      LYS  67   5.994  -1.849  -3.242
  474    HG2  LYS  67           2HG      LYS  67   7.101  -1.249  -1.180
  475    HG3  LYS  67           3HG      LYS  67   5.858  -2.082  -0.242
  476    HD2  LYS  67           2HD      LYS  67   6.512  -4.207  -1.166
  477    HD3  LYS  67           3HD      LYS  67   7.650  -3.424  -2.265
  478    HE2  LYS  67           2HE      LYS  67   8.952  -2.634  -0.346
  479    HE3  LYS  67           3HE      LYS  67   7.812  -3.416   0.750
  480    HZ1  LYS  67           3HZ      LYS  67   9.301  -4.927  -1.325
  481    HZ2  LYS  67           1HZ      LYS  67   8.491  -5.529   0.037
  482    HZ3  LYS  67           2HZ      LYS  67   9.935  -4.659   0.230
  483    HA   PRO  68           HA       PRO  68   7.676   2.231  -2.595
  484    HB2  PRO  68           2HB      PRO  68   6.350   3.247  -5.067
  485    HB3  PRO  68           3HB      PRO  68   8.070   3.072  -4.702
  486    HG2  PRO  68           2HG      PRO  68   6.870   1.331  -6.294
  487    HG3  PRO  68           3HG      PRO  68   8.055   0.782  -5.092
  488    HD2  PRO  68           2HD      PRO  68   5.075   0.609  -5.038
  489    HD3  PRO  68           3HD      PRO  68   6.282  -0.558  -4.461
  490    H    CYS  69           H        CYS  69   4.328   3.089  -3.594
  491    HA   CYS  69           HA       CYS  69   4.697   5.716  -2.439
  492    HB2  CYS  69           2HB      CYS  69   2.369   6.155  -3.215
  493    HB3  CYS  69           3HB      CYS  69   3.486   5.695  -4.489
  494    H    VAL  70           H        VAL  70   3.052   2.733  -1.574
  495    HA   VAL  70           HA       VAL  70   1.443   3.946   0.451
  496    HB   VAL  70           HB       VAL  70   0.907   1.751  -0.675
  497   HG11  VAL  70          1HG1      VAL  70   1.844  -0.292   0.293
  498   HG12  VAL  70          2HG1      VAL  70   2.969   0.680   1.243
  499   HG13  VAL  70          3HG1      VAL  70   3.075   0.676  -0.519
  500   HG21  VAL  70          3HG2      VAL  70  -0.087   0.761   1.347
  501   HG22  VAL  70          1HG2      VAL  70  -0.318   2.508   1.270
  502   HG23  VAL  70          2HG2      VAL  70   0.908   1.829   2.339
  503    H    SER  71           H        SER  71   4.676   2.638   0.347
  504    HA   SER  71           HA       SER  71   5.077   2.293   3.113
  505    HB2  SER  71           2HB      SER  71   7.550   2.625   2.459
  506    HB3  SER  71           3HB      SER  71   6.682   1.276   1.725
  507    HG   SER  71           HG       SER  71   6.691   2.265  -0.175
  508    H    ILE  72           H        ILE  72   5.081   5.101   1.077
  509    HA   ILE  72           HA       ILE  72   6.325   6.878   2.921
  510    HB   ILE  72           HB       ILE  72   4.369   7.491   0.699
  511   HG12  ILE  72          2HG1      ILE  72   7.396   7.587   0.696
  512   HG13  ILE  72          3HG1      ILE  72   6.427   6.325  -0.055
  513   HG21  ILE  72          1HG2      ILE  72   4.495   9.311   2.292
  514   HG22  ILE  72          2HG2      ILE  72   5.303   9.765   0.792
  515   HG23  ILE  72          3HG2      ILE  72   6.257   9.302   2.201
  516   HD11  ILE  72          3HD1      ILE  72   7.198   7.899  -1.712
  517   HD12  ILE  72          1HD1      ILE  72   6.463   9.233  -0.822
  518   HD13  ILE  72          2HD1      ILE  72   5.444   7.996  -1.555
  519    H    TRP  73           H        TRP  73   2.928   6.287   2.041
  520    HA   TRP  73           HA       TRP  73   1.824   8.092   3.886
  521    HB2  TRP  73           2HB      TRP  73   0.588   7.257   1.944
  522    HB3  TRP  73           3HB      TRP  73   0.579   5.637   2.633
  523    HD1  TRP  73           HD1      TRP  73  -1.312   5.061   4.320
  524    HE1  TRP  73           HE1      TRP  73  -3.313   6.352   5.289
  525    HE3  TRP  73           HE3      TRP  73  -0.117   9.752   2.679
  526    HZ2  TRP  73           HZ2      TRP  73  -4.265   9.012   5.345
  527    HZ3  TRP  73           HZ3      TRP  73  -1.627  11.614   3.231
  528    HH2  TRP  73           HH2      TRP  73  -3.657  11.251   4.536
  529    H    LEU  74           H        LEU  74   2.719   4.706   4.192
  530    HA   LEU  74           HA       LEU  74   1.381   4.230   6.639
  531    HB2  LEU  74           2HB      LEU  74   3.780   2.885   5.402
  532    HB3  LEU  74           3HB      LEU  74   3.000   2.322   6.868
  533    HG   LEU  74           HG       LEU  74   1.706   2.499   4.145
  534   HD11  LEU  74          1HD1      LEU  74   3.341   0.711   4.266
  535   HD12  LEU  74          2HD1      LEU  74   1.707   0.048   4.257
  536   HD13  LEU  74          3HD1      LEU  74   2.618   0.126   5.765
  537   HD21  LEU  74          3HD2      LEU  74   0.641   1.444   6.764
  538   HD22  LEU  74          1HD2      LEU  74  -0.163   1.309   5.201
  539   HD23  LEU  74          2HD2      LEU  74   0.097   2.897   5.925
  540    H    GLN  75           H        GLN  75   4.347   5.852   5.891
  541    HA   GLN  75           HA       GLN  75   5.236   5.803   8.663
  542    HB2  GLN  75           2HB      GLN  75   6.377   7.129   6.199
  543    HB3  GLN  75           3HB      GLN  75   7.102   7.233   7.796
  544    HG2  GLN  75           2HG      GLN  75   7.448   4.835   7.830
  545    HG3  GLN  75           3HG      GLN  75   6.644   4.681   6.268
  546   HE21  GLN  75          1HE2      GLN  75   7.696   5.336   4.417
  547   HE22  GLN  75          2HE2      GLN  75   9.405   5.650   4.375
  548    H    LYS  76           H        LYS  76   3.146   7.576   6.750
  549    HA   LYS  76           HA       LYS  76   3.511  10.074   8.217
  550    HB2  LYS  76           2HB      LYS  76   1.642   9.380   5.943
  551    HB3  LYS  76           3HB      LYS  76   1.824  10.975   6.656
  552    HG2  LYS  76           2HG      LYS  76   4.060  11.159   5.848
  553    HG3  LYS  76           3HG      LYS  76   4.062   9.474   5.322
  554    HD2  LYS  76           2HD      LYS  76   3.734  10.933   3.416
  555    HD3  LYS  76           3HD      LYS  76   2.269   9.996   3.716
  556    HE2  LYS  76           2HE      LYS  76   1.630  12.253   3.236
  557    HE3  LYS  76           3HE      LYS  76   1.348  11.949   4.948
  558    HZ1  LYS  76           3HZ      LYS  76   2.363  14.077   4.719
  559    HZ2  LYS  76           1HZ      LYS  76   3.607  13.454   3.748
  560    HZ3  LYS  76           2HZ      LYS  76   3.525  13.037   5.385
  561    H    SER  77           H        SER  77   0.850   7.859   7.393
  562    HA   SER  77           HA       SER  77  -0.593   8.839   9.764
  563    HB2  SER  77           2HB      SER  77  -1.772   9.321   7.695
  564    HB3  SER  77           3HB      SER  77  -1.637   7.640   7.186
  565    HG   SER  77           HG       SER  77  -3.000   8.473   9.530
  566    H    GLY  78           H        GLY  78   0.500   5.984   8.037
  567    HA2  GLY  78           2HA      GLY  78   0.743   3.803   8.737
  568    HA3  GLY  78           3HA      GLY  78   0.421   4.366  10.371
  569    H    THR  79           H        THR  79  -1.926   5.142   8.013
  570    HA   THR  79           HA       THR  79  -3.638   2.921   8.903
  571    HB   THR  79           HB       THR  79  -4.725   5.697   8.418
  572    HG1  THR  79           HG1      THR  79  -3.037   5.447  10.212
  573   HG21  THR  79          3HG2      THR  79  -6.543   4.907   9.839
  574   HG22  THR  79          1HG2      THR  79  -5.722   3.361  10.041
  575   HG23  THR  79          2HG2      THR  79  -6.313   3.844   8.450
  576    H    CYS  80           H        CYS  80  -5.232   2.263   7.375
  577    HA   CYS  80           HA       CYS  80  -4.506   2.606   4.626
  578    HB2  CYS  80           2HB      CYS  80  -5.528   0.526   5.636
  579    HB3  CYS  80           3HB      CYS  80  -7.040   1.402   5.773
  580    HA   PRO  81           HA       PRO  81  -6.462   6.612   4.546
  581    HB2  PRO  81           2HB      PRO  81  -6.332   6.933   1.799
  582    HB3  PRO  81           3HB      PRO  81  -5.033   7.321   2.931
  583    HG2  PRO  81           2HG      PRO  81  -5.417   4.882   1.248
  584    HG3  PRO  81           3HG      PRO  81  -3.926   5.767   1.619
  585    HD2  PRO  81           2HD      PRO  81  -4.520   3.463   2.846
  586    HD3  PRO  81           3HD      PRO  81  -3.721   4.793   3.713
  587    H    VAL  82           H        VAL  82  -7.547   3.900   2.644
  588    HA   VAL  82           HA       VAL  82  -9.957   5.220   1.784
  589    HB   VAL  82           HB       VAL  82  -9.233   2.298   1.557
  590   HG11  VAL  82          1HG1      VAL  82 -11.619   2.746   1.295
  591   HG12  VAL  82          2HG1      VAL  82 -10.890   2.258  -0.234
  592   HG13  VAL  82          3HG1      VAL  82 -11.262   3.956   0.064
  593   HG21  VAL  82          3HG2      VAL  82  -8.536   2.836  -0.728
  594   HG22  VAL  82          1HG2      VAL  82  -7.561   3.695   0.464
  595   HG23  VAL  82          2HG2      VAL  82  -8.832   4.545  -0.417
  596    H    CYS  83           H        CYS  83  -9.204   2.572   4.092
  597    HA   CYS  83           HA       CYS  83 -12.037   2.679   4.892
  598    HB2  CYS  83           2HB      CYS  83 -11.877   0.363   5.566
  599    HB3  CYS  83           3HB      CYS  83 -11.309   0.524   3.907
  600    H    ARG  84           H        ARG  84  -9.035   3.593   5.951
  601    HA   ARG  84           HA       ARG  84  -8.321   4.507   7.889
  602    HB2  ARG  84           2HB      ARG  84 -11.226   4.240   8.533
  603    HB3  ARG  84           3HB      ARG  84 -10.098   4.743   9.775
  604    HG2  ARG  84           2HG      ARG  84 -11.009   6.713   8.884
  605    HG3  ARG  84           3HG      ARG  84  -9.387   6.586   8.212
  606    HD2  ARG  84           2HD      ARG  84 -10.267   5.802   6.110
  607    HD3  ARG  84           3HD      ARG  84 -11.900   5.737   6.777
  608    HE   ARG  84           HE       ARG  84 -11.113   8.327   7.148
  609   HH11  ARG  84          1HH1      ARG  84 -11.454   6.220   4.363
  610   HH12  ARG  84          2HH1      ARG  84 -11.719   7.526   3.258
  611   HH21  ARG  84          1HH2      ARG  84 -11.471  10.043   5.678
  612   HH22  ARG  84          2HH2      ARG  84 -11.741   9.686   3.991
  613    H    CYS  85           H        CYS  85  -8.531   1.480   7.466
  614    HA   CYS  85           HA       CYS  85  -8.335   0.535  10.193
  615    HB2  CYS  85           2HB      CYS  85  -9.232  -0.946   8.440
  616    HB3  CYS  85           3HB      CYS  85  -7.699  -0.861   7.581
  617    HG   CYS  85           HG       CYS  85  -8.321  -2.409  10.565
  618    H    MET  86           H        MET  86  -6.518   0.485  11.359
  619    HA   MET  86           HA       MET  86  -4.200   1.836  10.390
  620    HB2  MET  86           2HB      MET  86  -4.987   2.020  12.725
  621    HB3  MET  86           3HB      MET  86  -4.622   0.320  12.974
  622    HG2  MET  86           2HG      MET  86  -2.251   0.767  12.580
  623    HG3  MET  86           3HG      MET  86  -2.616   2.472  12.326
  624    HE1  MET  86           3HE      MET  86  -3.108   0.286  16.366
  625    HE2  MET  86           1HE      MET  86  -2.463  -0.472  14.908
  626    HE3  MET  86           2HE      MET  86  -4.163  -0.008  14.984
  627    H    PHE  87           H        PHE  87  -2.076   1.028  10.197
  628    HA   PHE  87           HA       PHE  87  -1.820  -1.904  10.099
  629    HB2  PHE  87           2HB      PHE  87  -1.768  -1.030   7.813
  630    HB3  PHE  87           3HB      PHE  87  -0.517   0.123   8.261
  631    HD1  PHE  87           HD1      PHE  87  -1.188  -3.539   8.149
  632    HD2  PHE  87           HD2      PHE  87   1.706  -0.425   7.953
  633    HE1  PHE  87           HE1      PHE  87   0.542  -5.187   7.565
  634    HE2  PHE  87           HE2      PHE  87   3.441  -2.069   7.367
  635    HZ   PHE  87           HZ       PHE  87   2.859  -4.453   7.172
  636    HA   PRO  88           HA       PRO  88  -0.767  -3.479  10.770
  637    HB2  PRO  88           2HB      PRO  88  -0.257  -4.097  13.585
  638    HB3  PRO  88           3HB      PRO  88   0.333  -4.918  12.138
  639    HG2  PRO  88           2HG      PRO  88   1.956  -3.478  13.738
  640    HG3  PRO  88           3HG      PRO  88   2.207  -3.593  11.987
  641    HD2  PRO  88           2HD      PRO  88   0.955  -1.384  13.580
  642    HD3  PRO  88           3HD      PRO  88   2.099  -1.285  12.223
  643    HA   PRO  89           HA       PRO  89  -4.884  -2.831  12.165
  644    HB2  PRO  89           2HB      PRO  89  -4.897  -5.713  12.936
  645    HB3  PRO  89           3HB      PRO  89  -6.018  -4.816  11.904
  646    HG2  PRO  89           2HG      PRO  89  -4.219  -6.449  10.833
  647    HG3  PRO  89           3HG      PRO  89  -4.603  -4.896  10.067
  648    HD2  PRO  89           2HD      PRO  89  -2.213  -5.674  11.682
  649    HD3  PRO  89           3HD      PRO  89  -2.322  -4.607  10.268
  650    HA   PRO  90           HA       PRO  90  -4.511  -2.164  16.534
  651    HB2  PRO  90           2HB      PRO  90  -7.114  -1.550  17.057
  652    HB3  PRO  90           3HB      PRO  90  -5.981  -0.424  16.299
  653    HG2  PRO  90           2HG      PRO  90  -8.036  -2.191  15.030
  654    HG3  PRO  90           3HG      PRO  90  -7.658  -0.494  14.679
  655    HD2  PRO  90           2HD      PRO  90  -6.750  -2.493  13.127
  656    HD3  PRO  90           3HD      PRO  90  -5.776  -1.041  13.438
  657    H    LEU  91           H        LEU  91  -4.758  -3.302  18.366
  658    HA   LEU  91           HA       LEU  91  -5.993  -5.928  18.108
  659    HB2  LEU  91           2HB      LEU  91  -4.167  -4.813  20.241
  660    HB3  LEU  91           3HB      LEU  91  -4.708  -6.477  20.132
  661    HG   LEU  91           HG       LEU  91  -3.009  -5.094  18.052
  662   HD11  LEU  91          1HD1      LEU  91  -1.797  -5.364  20.152
  663   HD12  LEU  91          2HD1      LEU  91  -1.176  -6.453  18.910
  664   HD13  LEU  91          3HD1      LEU  91  -2.227  -7.074  20.182
  665   HD21  LEU  91          3HD2      LEU  91  -4.397  -6.896  17.156
  666   HD22  LEU  91          1HD2      LEU  91  -3.775  -7.990  18.390
  667   HD23  LEU  91          2HD2      LEU  91  -2.691  -7.342  17.161
  Start of MODEL   15
    1    H1   MET   1           1H       MET   1   1.989  21.074  -6.708
    2    H2   MET   1           2H       MET   1   2.212  21.077  -8.387
    3    H3   MET   1           3H       MET   1   2.015  19.610  -7.564
    4    HA   MET   1           HA       MET   1  -0.024  21.732  -7.889
    5    HB2  MET   1           2HB      MET   1   0.071  18.881  -8.911
    6    HB3  MET   1           3HB      MET   1  -1.248  20.016  -9.160
    7    HG2  MET   1           2HG      MET   1   1.556  20.353 -10.192
    8    HG3  MET   1           3HG      MET   1   0.185  19.771 -11.133
    9    HE1  MET   1           3HE      MET   1   0.811  23.333 -12.628
   10    HE2  MET   1           1HE      MET   1   0.673  21.610 -12.975
   11    HE3  MET   1           2HE      MET   1   2.039  22.216 -12.038
   12    H    GLY   2           H        GLY   2  -1.601  21.744  -6.399
   13    HA2  GLY   2           2HA      GLY   2  -1.505  19.690  -4.309
   14    HA3  GLY   2           3HA      GLY   2  -2.313  21.246  -4.201
   15    H    HIS   3           H        HIS   3  -2.694  17.944  -4.756
   16    HA   HIS   3           HA       HIS   3  -5.243  18.267  -6.121
   17    HB2  HIS   3           2HB      HIS   3  -5.303  15.683  -5.822
   18    HB3  HIS   3           3HB      HIS   3  -4.215  16.394  -7.001
   19    HD1  HIS   3           HD1      HIS   3  -1.970  15.426  -6.974
   20    HD2  HIS   3           HD2      HIS   3  -3.782  15.172  -3.238
   21    HE1  HIS   3           HE1      HIS   3  -0.342  14.186  -5.511
   22    HE2  HIS   3           HE2      HIS   3  -1.353  14.272  -3.209
   23    H    HIS   4           H        HIS   4  -6.901  18.859  -4.998
   24    HA   HIS   4           HA       HIS   4  -7.591  17.490  -2.531
   25    HB2  HIS   4           2HB      HIS   4  -6.199  19.346  -1.740
   26    HB3  HIS   4           3HB      HIS   4  -7.170  20.488  -2.659
   27    HD1  HIS   4           HD1      HIS   4  -7.456  18.151   0.317
   28    HD2  HIS   4           HD2      HIS   4  -9.334  21.480  -1.332
   29    HE1  HIS   4           HE1      HIS   4  -9.128  18.912   2.032
   30    HE2  HIS   4           HE2      HIS   4 -10.105  21.041   1.098
   31    H    HIS   5           H        HIS   5  -9.481  16.736  -3.306
   32    HA   HIS   5           HA       HIS   5 -11.219  18.588  -4.790
   33    HB2  HIS   5           2HB      HIS   5 -11.197  15.566  -4.648
   34    HB3  HIS   5           3HB      HIS   5 -12.422  16.502  -5.496
   35    HD1  HIS   5           HD1      HIS   5 -11.904  17.196  -7.840
   36    HD2  HIS   5           HD2      HIS   5  -8.546  15.833  -5.805
   37    HE1  HIS   5           HE1      HIS   5 -10.083  17.034  -9.568
   38    HE2  HIS   5           HE2      HIS   5  -8.007  16.468  -8.255
   39    H    HIS   6           H        HIS   6 -11.243  16.195  -2.191
   40    HA   HIS   6           HA       HIS   6 -13.735  17.422  -1.194
   41    HB2  HIS   6           2HB      HIS   6 -12.758  14.573  -0.865
   42    HB3  HIS   6           3HB      HIS   6 -14.160  15.242  -0.044
   43    HD1  HIS   6           HD1      HIS   6 -14.923  12.917  -1.563
   44    HD2  HIS   6           HD2      HIS   6 -14.536  16.606  -3.448
   45    HE1  HIS   6           HE1      HIS   6 -16.256  12.739  -3.685
   46    HE2  HIS   6           HE2      HIS   6 -15.820  14.894  -4.911
   47    H    HIS   7           H        HIS   7 -13.934  17.480   1.171
   48    HA   HIS   7           HA       HIS   7 -11.318  17.450   2.501
   49    HB2  HIS   7           2HB      HIS   7 -12.023  19.513   3.776
   50    HB3  HIS   7           3HB      HIS   7 -11.624  19.755   2.084
   51    HD1  HIS   7           HD1      HIS   7 -13.371  20.815   0.624
   52    HD2  HIS   7           HD2      HIS   7 -14.854  19.699   4.352
   53    HE1  HIS   7           HE1      HIS   7 -15.674  21.819   0.770
   54    HE2  HIS   7           HE2      HIS   7 -16.520  21.203   3.062
   55    H    HIS   8           H        HIS   8 -12.621  15.299   2.868
   56    HA   HIS   8           HA       HIS   8 -14.295  15.492   5.230
   57    HB2  HIS   8           2HB      HIS   8 -13.309  13.156   3.596
   58    HB3  HIS   8           3HB      HIS   8 -14.116  12.931   5.145
   59    HD1  HIS   8           HD1      HIS   8 -16.537  14.433   5.177
   60    HD2  HIS   8           HD2      HIS   8 -15.067  12.980   1.566
   61    HE1  HIS   8           HE1      HIS   8 -18.510  14.370   3.613
   62    HE2  HIS   8           HE2      HIS   8 -17.638  13.291   1.507
   63    H    SER   9           H        SER   9 -13.147  16.227   6.895
   64    HA   SER   9           HA       SER   9 -10.412  15.522   7.313
   65    HB2  SER   9           2HB      SER   9 -10.866  16.831   9.507
   66    HB3  SER   9           3HB      SER   9 -10.937  17.698   7.971
   67    HG   SER   9           HG       SER   9 -12.859  17.382   9.815
   68    H    HIS  10           H        HIS  10  -9.652  13.830   8.325
   69    HA   HIS  10           HA       HIS  10 -11.204  12.665  10.537
   70    HB2  HIS  10           2HB      HIS  10 -11.225  11.269   8.378
   71    HB3  HIS  10           3HB      HIS  10  -9.507  11.016   8.653
   72    HD1  HIS  10           HD1      HIS  10 -12.847   9.852   9.675
   73    HD2  HIS  10           HD2      HIS  10  -8.915   9.431  10.976
   74    HE1  HIS  10           HE1      HIS  10 -12.860   7.903  11.265
   75    HE2  HIS  10           HE2      HIS  10 -10.444   7.546  11.890
   76    H    MET  11           H        MET  11 -10.008  13.687  12.095
   77    HA   MET  11           HA       MET  11  -7.265  14.260  11.857
   78    HB2  MET  11           2HB      MET  11  -7.373  14.971  14.193
   79    HB3  MET  11           3HB      MET  11  -8.731  15.588  13.264
   80    HG2  MET  11           2HG      MET  11 -10.168  13.858  14.202
   81    HG3  MET  11           3HG      MET  11  -8.807  13.219  15.119
   82    HE1  MET  11           3HE      MET  11 -10.357  13.391  17.311
   83    HE2  MET  11           1HE      MET  11 -11.658  14.083  16.339
   84    HE3  MET  11           2HE      MET  11 -11.142  14.885  17.824
   85    H    VAL  12           H        VAL  12  -8.885  11.443  13.057
   86    HA   VAL  12           HA       VAL  12  -6.633  10.432  14.516
   87    HB   VAL  12           HB       VAL  12  -8.984   8.865  13.428
   88   HG11  VAL  12          1HG1      VAL  12  -8.452   7.286  15.228
   89   HG12  VAL  12          2HG1      VAL  12  -7.056   8.269  15.675
   90   HG13  VAL  12          3HG1      VAL  12  -7.107   7.469  14.103
   91   HG21  VAL  12          3HG2      VAL  12  -8.667  10.246  16.093
   92   HG22  VAL  12          1HG2      VAL  12  -9.980   9.150  15.662
   93   HG23  VAL  12          2HG2      VAL  12  -9.798  10.685  14.812
   94    H    ALA  13           H        ALA  13  -4.867  10.453  13.194
   95    HA   ALA  13           HA       ALA  13  -5.022   8.985  10.652
   96    HB1  ALA  13           3HB      ALA  13  -2.991  10.156  10.018
   97    HB2  ALA  13           1HB      ALA  13  -2.903  10.902  11.614
   98    HB3  ALA  13           2HB      ALA  13  -4.231  11.304  10.526
   99    H    ASN  14           H        ASN  14  -3.790   8.848  13.821
  100    HA   ASN  14           HA       ASN  14  -2.671   7.248  14.977
  101    HB2  ASN  14           2HB      ASN  14  -2.999   5.700  12.403
  102    HB3  ASN  14           3HB      ASN  14  -2.242   5.022  13.839
  103   HD21  ASN  14          1HD2      ASN  14  -4.716   4.348  12.360
  104   HD22  ASN  14          2HD2      ASN  14  -5.970   4.353  13.555
  105    HA   PRO  15           HA       PRO  15   1.608   8.024  14.278
  106    HB2  PRO  15           2HB      PRO  15   2.203   5.371  15.427
  107    HB3  PRO  15           3HB      PRO  15   2.702   6.969  15.982
  108    HG2  PRO  15           2HG      PRO  15   0.846   5.540  17.292
  109    HG3  PRO  15           3HG      PRO  15   0.763   7.306  17.185
  110    HD2  PRO  15           2HD      PRO  15  -0.788   5.238  15.688
  111    HD3  PRO  15           3HD      PRO  15  -1.314   6.816  16.309
  112    HA   PRO  16           HA       PRO  16   2.697   5.997  10.519
  113    HB2  PRO  16           2HB      PRO  16   5.420   6.347  10.595
  114    HB3  PRO  16           3HB      PRO  16   4.269   7.598  10.116
  115    HG2  PRO  16           2HG      PRO  16   5.656   7.191  12.726
  116    HG3  PRO  16           3HG      PRO  16   5.284   8.700  11.873
  117    HD2  PRO  16           2HD      PRO  16   3.840   7.819  13.989
  118    HD3  PRO  16           3HD      PRO  16   3.124   8.762  12.669
  119    H    ALA  17           H        ALA  17   3.477   4.055   9.743
  120    HA   ALA  17           HA       ALA  17   3.780   2.034  11.772
  121    HB1  ALA  17           3HB      ALA  17   3.630   0.450   9.926
  122    HB2  ALA  17           1HB      ALA  17   3.748   1.774   8.768
  123    HB3  ALA  17           2HB      ALA  17   2.345   1.655   9.831
  124    H    SER  18           H        SER  18   5.399   0.262  11.430
  125    HA   SER  18           HA       SER  18   8.042   1.369  11.413
  126    HB2  SER  18           2HB      SER  18   7.144  -1.516  11.629
  127    HB3  SER  18           3HB      SER  18   8.749  -0.894  12.017
  128    HG   SER  18           HG       SER  18   7.798   0.348  13.673
  129    H    LYS  19           H        LYS  19   9.750   0.780  10.043
  130    HA   LYS  19           HA       LYS  19   9.142   0.626   7.301
  131    HB2  LYS  19           2HB      LYS  19  11.251   1.545   8.300
  132    HB3  LYS  19           3HB      LYS  19  11.768  -0.101   8.625
  133    HG2  LYS  19           2HG      LYS  19  11.533  -0.534   6.163
  134    HG3  LYS  19           3HG      LYS  19  11.422   1.227   5.985
  135    HD2  LYS  19           2HD      LYS  19  13.595   1.505   6.399
  136    HD3  LYS  19           3HD      LYS  19  13.554   0.400   7.774
  137    HE2  LYS  19           2HE      LYS  19  13.867  -0.277   4.877
  138    HE3  LYS  19           3HE      LYS  19  15.035  -0.491   6.172
  139    HZ1  LYS  19           3HZ      LYS  19  13.551  -2.138   7.174
  140    HZ2  LYS  19           1HZ      LYS  19  14.029  -2.585   5.607
  141    HZ3  LYS  19           2HZ      LYS  19  12.482  -1.957   5.872
  142    H    GLU  20           H        GLU  20  10.049  -1.813   9.661
  143    HA   GLU  20           HA       GLU  20  10.505  -3.907   7.824
  144    HB2  GLU  20           2HB      GLU  20   9.743  -4.076  10.744
  145    HB3  GLU  20           3HB      GLU  20  10.410  -5.386   9.780
  146    HG2  GLU  20           2HG      GLU  20  11.769  -2.837  10.603
  147    HG3  GLU  20           3HG      GLU  20  12.177  -4.487  11.076
  148    H    SER  21           H        SER  21   7.629  -2.778   9.486
  149    HA   SER  21           HA       SER  21   5.958  -4.974   8.994
  150    HB2  SER  21           2HB      SER  21   5.040  -2.099   9.069
  151    HB3  SER  21           3HB      SER  21   4.162  -3.534   9.595
  152    HG   SER  21           HG       SER  21   5.933  -3.760  11.195
  153    H    ILE  22           H        ILE  22   6.585  -2.032   7.136
  154    HA   ILE  22           HA       ILE  22   4.798  -2.706   5.002
  155    HB   ILE  22           HB       ILE  22   7.091  -0.749   4.884
  156   HG12  ILE  22          2HG1      ILE  22   4.260  -0.160   5.767
  157   HG13  ILE  22          3HG1      ILE  22   5.594  -0.405   6.892
  158   HG21  ILE  22          1HG2      ILE  22   5.727   0.356   3.208
  159   HG22  ILE  22          2HG2      ILE  22   4.445  -0.830   3.438
  160   HG23  ILE  22          3HG2      ILE  22   5.996  -1.327   2.758
  161   HD11  ILE  22          3HD1      ILE  22   5.155   1.954   6.538
  162   HD12  ILE  22          1HD1      ILE  22   5.410   1.756   4.805
  163   HD13  ILE  22          2HD1      ILE  22   6.750   1.515   5.927
  164    H    ASP  23           H        ASP  23   8.237  -2.983   5.610
  165    HA   ASP  23           HA       ASP  23   9.068  -3.729   3.032
  166    HB2  ASP  23           2HB      ASP  23  10.588  -2.954   4.814
  167    HB3  ASP  23           3HB      ASP  23  10.284  -4.434   5.714
  168    H    ALA  24           H        ALA  24   7.672  -5.535   5.660
  169    HA   ALA  24           HA       ALA  24   8.339  -8.133   4.697
  170    HB1  ALA  24           3HB      ALA  24   6.785  -8.932   6.392
  171    HB2  ALA  24           1HB      ALA  24   6.186  -7.291   6.630
  172    HB3  ALA  24           2HB      ALA  24   7.850  -7.691   7.051
  173    H    LEU  25           H        LEU  25   5.897  -5.846   3.905
  174    HA   LEU  25           HA       LEU  25   3.845  -7.576   3.057
  175    HB2  LEU  25           2HB      LEU  25   4.538  -4.788   2.129
  176    HB3  LEU  25           3HB      LEU  25   3.041  -5.622   1.761
  177    HG   LEU  25           HG       LEU  25   3.966  -4.851   4.533
  178   HD11  LEU  25          1HD1      LEU  25   3.369  -2.904   3.213
  179   HD12  LEU  25          2HD1      LEU  25   2.135  -3.221   4.434
  180   HD13  LEU  25          3HD1      LEU  25   1.844  -3.660   2.751
  181   HD21  LEU  25          3HD2      LEU  25   2.598  -6.864   4.543
  182   HD22  LEU  25          1HD2      LEU  25   1.374  -6.055   3.564
  183   HD23  LEU  25          2HD2      LEU  25   1.699  -5.500   5.207
  184    HA   PRO  26           HA       PRO  26   5.689  -9.444  -0.466
  185    HB2  PRO  26           2HB      PRO  26   3.407 -10.226  -1.751
  186    HB3  PRO  26           3HB      PRO  26   4.065 -11.051  -0.334
  187    HG2  PRO  26           2HG      PRO  26   1.874  -9.013  -0.488
  188    HG3  PRO  26           3HG      PRO  26   1.924 -10.527   0.433
  189    HD2  PRO  26           2HD      PRO  26   2.397  -8.164   1.607
  190    HD3  PRO  26           3HD      PRO  26   3.292  -9.625   2.080
  191    H    GLU  27           H        GLU  27   6.414  -8.755  -2.377
  192    HA   GLU  27           HA       GLU  27   5.172  -6.419  -3.589
  193    HB2  GLU  27           2HB      GLU  27   7.754  -7.864  -4.186
  194    HB3  GLU  27           3HB      GLU  27   7.192  -6.451  -5.070
  195    HG2  GLU  27           2HG      GLU  27   7.154  -5.214  -2.912
  196    HG3  GLU  27           3HG      GLU  27   7.916  -6.611  -2.158
  197    H    ILE  28           H        ILE  28   3.696  -6.619  -5.052
  198    HA   ILE  28           HA       ILE  28   3.618  -9.026  -6.746
  199    HB   ILE  28           HB       ILE  28   1.375  -7.085  -6.134
  200   HG12  ILE  28          2HG1      ILE  28   1.835  -9.870  -5.041
  201   HG13  ILE  28          3HG1      ILE  28   2.102  -8.379  -4.143
  202   HG21  ILE  28          1HG2      ILE  28   1.342  -9.774  -7.501
  203   HG22  ILE  28          2HG2      ILE  28   1.141  -8.209  -8.288
  204   HG23  ILE  28          3HG2      ILE  28  -0.070  -8.781  -7.140
  205   HD11  ILE  28          3HD1      ILE  28  -0.269  -7.851  -4.314
  206   HD12  ILE  28          1HD1      ILE  28  -0.013  -9.419  -3.551
  207   HD13  ILE  28          2HD1      ILE  28  -0.537  -9.330  -5.233
  208    H    LEU  29           H        LEU  29   3.922  -8.778  -8.887
  209    HA   LEU  29           HA       LEU  29   4.546  -6.150  -9.906
  210    HB2  LEU  29           2HB      LEU  29   5.881  -8.089 -10.568
  211    HB3  LEU  29           3HB      LEU  29   4.462  -8.846 -11.264
  212    HG   LEU  29           HG       LEU  29   4.328  -7.001 -12.919
  213   HD11  LEU  29          1HD1      LEU  29   6.234  -5.502 -13.189
  214   HD12  LEU  29          2HD1      LEU  29   6.973  -6.171 -11.735
  215   HD13  LEU  29          3HD1      LEU  29   5.460  -5.272 -11.621
  216   HD21  LEU  29          3HD2      LEU  29   6.952  -8.485 -12.829
  217   HD22  LEU  29          1HD2      LEU  29   6.246  -7.731 -14.258
  218   HD23  LEU  29          2HD2      LEU  29   5.433  -9.093 -13.487
  219    H    VAL  30           H        VAL  30   3.115  -4.823 -10.786
  220    HA   VAL  30           HA       VAL  30   0.429  -5.713 -11.328
  221    HB   VAL  30           HB       VAL  30   1.651  -3.006 -11.893
  222   HG11  VAL  30          1HG1      VAL  30  -0.415  -3.390 -13.110
  223   HG12  VAL  30          2HG1      VAL  30  -0.680  -2.220 -11.817
  224   HG13  VAL  30          3HG1      VAL  30  -1.223  -3.887 -11.623
  225   HG21  VAL  30          3HG2      VAL  30   0.658  -2.303  -9.762
  226   HG22  VAL  30          1HG2      VAL  30   1.879  -3.556  -9.535
  227   HG23  VAL  30          2HG2      VAL  30   0.166  -3.968  -9.451
  228    H    THR  31           H        THR  31  -0.259  -6.504 -13.192
  229    HA   THR  31           HA       THR  31   1.184  -5.785 -15.652
  230    HB   THR  31           HB       THR  31   0.275  -7.997 -16.536
  231    HG1  THR  31           HG1      THR  31   0.070  -9.472 -14.513
  232   HG21  THR  31          3HG2      THR  31   2.281  -8.058 -14.279
  233   HG22  THR  31          1HG2      THR  31   2.628  -7.718 -15.973
  234   HG23  THR  31          2HG2      THR  31   2.073  -9.320 -15.490
  235    H    GLU  32           H        GLU  32  -0.011  -5.154 -17.401
  236    HA   GLU  32           HA       GLU  32  -2.698  -4.296 -16.863
  237    HB2  GLU  32           2HB      GLU  32  -0.856  -3.972 -19.221
  238    HB3  GLU  32           3HB      GLU  32  -2.533  -3.431 -19.262
  239    HG2  GLU  32           2HG      GLU  32  -2.175  -1.885 -17.513
  240    HG3  GLU  32           3HG      GLU  32  -0.599  -2.575 -17.133
  241    H    ASP  33           H        ASP  33  -4.156  -4.572 -19.045
  242    HA   ASP  33           HA       ASP  33  -5.684  -5.984 -19.955
  243    HB2  ASP  33           2HB      ASP  33  -3.363  -7.898 -19.823
  244    HB3  ASP  33           3HB      ASP  33  -4.961  -8.447 -20.312
  245    H    HIS  34           H        HIS  34  -4.771  -5.838 -16.976
  246    HA   HIS  34           HA       HIS  34  -6.784  -7.757 -16.028
  247    HB2  HIS  34           2HB      HIS  34  -4.184  -7.007 -14.664
  248    HB3  HIS  34           3HB      HIS  34  -5.469  -7.944 -13.912
  249    HD1  HIS  34           HD1      HIS  34  -5.548 -10.412 -14.401
  250    HD2  HIS  34           HD2      HIS  34  -2.799  -8.376 -16.758
  251    HE1  HIS  34           HE1      HIS  34  -4.240 -12.192 -15.608
  252    HE2  HIS  34           HE2      HIS  34  -2.750 -10.921 -17.201
  253    H    GLY  35           H        GLY  35  -8.480  -6.526 -15.525
  254    HA2  GLY  35           2HA      GLY  35  -8.267  -3.796 -14.728
  255    HA3  GLY  35           3HA      GLY  35  -9.726  -4.779 -14.683
  256    H    ALA  36           H        ALA  36  -7.011  -3.591 -12.937
  257    HA   ALA  36           HA       ALA  36  -6.624  -3.277 -10.725
  258    HB1  ALA  36           3HB      ALA  36  -8.354  -3.647  -9.070
  259    HB2  ALA  36           1HB      ALA  36  -9.307  -4.563 -10.238
  260    HB3  ALA  36           2HB      ALA  36  -9.029  -2.839 -10.485
  261    H    VAL  37           H        VAL  37  -5.422  -4.372  -9.273
  262    HA   VAL  37           HA       VAL  37  -4.675  -7.035  -9.803
  263    HB   VAL  37           HB       VAL  37  -4.225  -5.452  -7.261
  264   HG11  VAL  37          1HG1      VAL  37  -2.763  -7.853  -8.358
  265   HG12  VAL  37          2HG1      VAL  37  -3.821  -7.833  -6.948
  266   HG13  VAL  37          3HG1      VAL  37  -2.304  -6.936  -6.923
  267   HG21  VAL  37          3HG2      VAL  37  -2.500  -5.702  -9.723
  268   HG22  VAL  37          1HG2      VAL  37  -2.058  -4.866  -8.235
  269   HG23  VAL  37          2HG2      VAL  37  -3.393  -4.267  -9.220
  270    H    GLY  38           H        GLY  38  -6.859  -5.615  -7.431
  271    HA2  GLY  38           2HA      GLY  38  -8.582  -7.788  -7.318
  272    HA3  GLY  38           3HA      GLY  38  -7.419  -8.001  -6.016
  273    H    GLN  39           H        GLN  39  -8.561  -4.892  -7.174
  274    HA   GLN  39           HA       GLN  39 -10.538  -4.479  -5.219
  275    HB2  GLN  39           2HB      GLN  39  -8.579  -4.593  -3.701
  276    HB3  GLN  39           3HB      GLN  39  -7.852  -3.246  -4.565
  277    HG2  GLN  39           2HG      GLN  39  -8.883  -2.507  -2.498
  278    HG3  GLN  39           3HG      GLN  39  -9.694  -1.806  -3.895
  279   HE21  GLN  39          1HE2      GLN  39 -10.157  -5.122  -2.919
  280   HE22  GLN  39          2HE2      GLN  39 -11.794  -4.935  -2.390
  281    H    GLU  40           H        GLU  40  -7.944  -2.239  -6.082
  282    HA   GLU  40           HA       GLU  40  -9.907  -0.699  -7.637
  283    HB2  GLU  40           2HB      GLU  40  -8.129   0.079  -5.462
  284    HB3  GLU  40           3HB      GLU  40  -7.919   1.084  -6.887
  285    HG2  GLU  40           2HG      GLU  40 -10.539   0.566  -5.502
  286    HG3  GLU  40           3HG      GLU  40  -9.543   2.009  -5.304
  287    H    MET  41           H        MET  41  -9.159   0.425  -9.447
  288    HA   MET  41           HA       MET  41  -6.709  -0.704 -10.603
  289    HB2  MET  41           2HB      MET  41  -7.622   0.040 -12.794
  290    HB3  MET  41           3HB      MET  41  -8.638  -1.139 -11.982
  291    HG2  MET  41           2HG      MET  41  -9.162   1.811 -11.821
  292    HG3  MET  41           3HG      MET  41  -9.793   0.804 -13.122
  293    HE1  MET  41           3HE      MET  41 -12.093  -1.698 -11.171
  294    HE2  MET  41           1HE      MET  41 -10.409  -1.920 -11.643
  295    HE3  MET  41           2HE      MET  41 -11.545  -1.166 -12.760
  296    H    CYS  42           H        CYS  42  -7.605   1.884  -8.904
  297    HA   CYS  42           HA       CYS  42  -5.587   3.567 -10.230
  298    HB2  CYS  42           2HB      CYS  42  -6.760   5.554  -9.431
  299    HB3  CYS  42           3HB      CYS  42  -7.825   4.582 -10.437
  300    HG   CYS  42           HG       CYS  42  -9.157   3.441  -8.195
  301    H    CYS  43           H        CYS  43  -4.198   4.750  -8.841
  302    HA   CYS  43           HA       CYS  43  -4.185   3.797  -6.049
  303    HB2  CYS  43           2HB      CYS  43  -2.265   2.937  -7.308
  304    HB3  CYS  43           3HB      CYS  43  -1.837   4.569  -7.802
  305    HA   PRO  44           HA       PRO  44  -5.432   8.099  -5.665
  306    HB2  PRO  44           2HB      PRO  44  -5.274   7.542  -2.784
  307    HB3  PRO  44           3HB      PRO  44  -6.654   8.057  -3.751
  308    HG2  PRO  44           2HG      PRO  44  -6.348   5.551  -2.723
  309    HG3  PRO  44           3HG      PRO  44  -7.326   5.925  -4.151
  310    HD2  PRO  44           2HD      PRO  44  -4.711   4.581  -3.951
  311    HD3  PRO  44           3HD      PRO  44  -5.932   4.491  -5.233
  312    H    ILE  45           H        ILE  45  -2.782   6.546  -4.016
  313    HA   ILE  45           HA       ILE  45  -1.722   8.821  -2.735
  314    HB   ILE  45           HB       ILE  45  -0.259   6.300  -3.537
  315   HG12  ILE  45          2HG1      ILE  45  -1.730   6.964  -0.972
  316   HG13  ILE  45          3HG1      ILE  45  -2.317   5.870  -2.219
  317   HG21  ILE  45          1HG2      ILE  45   1.231   6.849  -1.659
  318   HG22  ILE  45          2HG2      ILE  45   0.342   8.350  -1.400
  319   HG23  ILE  45          3HG2      ILE  45   1.247   8.110  -2.894
  320   HD11  ILE  45          3HD1      ILE  45  -0.418   4.393  -1.808
  321   HD12  ILE  45          1HD1      ILE  45  -1.371   4.653  -0.347
  322   HD13  ILE  45          2HD1      ILE  45   0.166   5.494  -0.559
  323    H    CYS  46           H        CYS  46  -1.281   7.512  -5.971
  324    HA   CYS  46           HA       CYS  46   0.688   9.644  -6.493
  325    HB2  CYS  46           2HB      CYS  46   1.472   8.247  -8.407
  326    HB3  CYS  46           3HB      CYS  46   1.732   7.506  -6.833
  327    H    CYS  47           H        CYS  47  -2.451   8.807  -6.950
  328    HA   CYS  47           HA       CYS  47  -4.150   9.660  -8.179
  329    HB2  CYS  47           2HB      CYS  47  -2.944  11.821  -7.834
  330    HB3  CYS  47           3HB      CYS  47  -2.101  11.551  -9.353
  331    HG   CYS  47           HG       CYS  47  -4.645  11.452 -10.762
  332    H    SER  48           H        SER  48  -1.742   7.896  -9.372
  333    HA   SER  48           HA       SER  48  -2.749   7.896 -12.128
  334    HB2  SER  48           2HB      SER  48  -0.206   6.705 -10.988
  335    HB3  SER  48           3HB      SER  48  -0.694   6.625 -12.681
  336    HG   SER  48           HG       SER  48   0.076   8.551 -12.945
  337    H    GLU  49           H        GLU  49  -2.870   5.705 -13.153
  338    HA   GLU  49           HA       GLU  49  -4.396   3.981 -11.364
  339    HB2  GLU  49           2HB      GLU  49  -5.139   2.869 -13.473
  340    HB3  GLU  49           3HB      GLU  49  -5.536   4.577 -13.391
  341    HG2  GLU  49           2HG      GLU  49  -3.124   3.535 -14.849
  342    HG3  GLU  49           3HG      GLU  49  -4.704   3.712 -15.609
  343    H    TYR  50           H        TYR  50  -4.223   1.555 -12.547
  344    HA   TYR  50           HA       TYR  50  -1.511   0.758 -11.826
  345    HB2  TYR  50           2HB      TYR  50  -4.119  -0.714 -12.040
  346    HB3  TYR  50           3HB      TYR  50  -2.590  -1.588 -11.984
  347    HD1  TYR  50           HD2      TYR  50  -4.517   1.011 -10.130
  348    HD2  TYR  50           HD1      TYR  50  -1.648  -2.120  -9.937
  349    HE1  TYR  50           HE2      TYR  50  -4.486   1.199  -7.684
  350    HE2  TYR  50           HE1      TYR  50  -1.610  -1.936  -7.486
  351    HH   TYR  50           HH       TYR  50  -3.914  -0.270  -5.727
  352    H    VAL  51           H        VAL  51  -0.130   0.795 -13.418
  353    HA   VAL  51           HA       VAL  51  -0.880  -0.424 -15.987
  354    HB   VAL  51           HB       VAL  51   1.011   0.829 -16.984
  355   HG11  VAL  51          1HG1      VAL  51  -1.021   2.552 -15.572
  356   HG12  VAL  51          2HG1      VAL  51  -1.228   1.754 -17.130
  357   HG13  VAL  51          3HG1      VAL  51  -0.042   3.046 -16.954
  358   HG21  VAL  51          3HG2      VAL  51   1.181   2.151 -14.277
  359   HG22  VAL  51          1HG2      VAL  51   2.041   2.674 -15.727
  360   HG23  VAL  51          2HG2      VAL  51   2.396   1.103 -15.009
  361    H    LYS  52           H        LYS  52   1.078  -1.476 -17.090
  362    HA   LYS  52           HA       LYS  52   2.021  -3.465 -15.264
  363    HB2  LYS  52           2HB      LYS  52   1.401  -4.006 -17.589
  364    HB3  LYS  52           3HB      LYS  52   2.750  -3.034 -18.164
  365    HG2  LYS  52           2HG      LYS  52   4.335  -4.536 -17.176
  366    HG3  LYS  52           3HG      LYS  52   3.047  -5.446 -16.389
  367    HD2  LYS  52           2HD      LYS  52   3.822  -6.638 -18.346
  368    HD3  LYS  52           3HD      LYS  52   2.172  -6.072 -18.606
  369    HE2  LYS  52           2HE      LYS  52   3.043  -4.167 -19.890
  370    HE3  LYS  52           3HE      LYS  52   4.684  -4.765 -19.649
  371    HZ1  LYS  52           3HZ      LYS  52   4.069  -6.794 -20.834
  372    HZ2  LYS  52           1HZ      LYS  52   3.840  -5.421 -21.803
  373    HZ3  LYS  52           2HZ      LYS  52   2.508  -6.184 -21.088
  374    H    GLY  53           H        GLY  53   4.001  -3.769 -14.408
  375    HA2  GLY  53           2HA      GLY  53   6.389  -3.473 -14.434
  376    HA3  GLY  53           3HA      GLY  53   6.145  -1.907 -15.195
  377    H    ASP  54           H        ASP  54   3.812  -1.829 -13.043
  378    HA   ASP  54           HA       ASP  54   5.426  -0.399 -11.094
  379    HB2  ASP  54           2HB      ASP  54   3.062   0.267 -12.077
  380    HB3  ASP  54           3HB      ASP  54   2.471  -0.779 -10.791
  381    H    VAL  55           H        VAL  55   4.986  -0.791  -8.744
  382    HA   VAL  55           HA       VAL  55   4.838  -3.695  -8.268
  383    HB   VAL  55           HB       VAL  55   6.277  -1.610  -6.613
  384   HG11  VAL  55          1HG1      VAL  55   6.230  -4.619  -6.382
  385   HG12  VAL  55          2HG1      VAL  55   5.489  -3.472  -5.265
  386   HG13  VAL  55          3HG1      VAL  55   7.244  -3.533  -5.432
  387   HG21  VAL  55          3HG2      VAL  55   7.361  -1.978  -8.778
  388   HG22  VAL  55          1HG2      VAL  55   7.409  -3.713  -8.458
  389   HG23  VAL  55          2HG2      VAL  55   8.338  -2.603  -7.449
  390    H    ALA  56           H        ALA  56   3.134  -4.370  -7.163
  391    HA   ALA  56           HA       ALA  56   1.737  -2.451  -5.419
  392    HB1  ALA  56           3HB      ALA  56   0.384  -3.226  -7.311
  393    HB2  ALA  56           1HB      ALA  56  -0.281  -3.769  -5.769
  394    HB3  ALA  56           2HB      ALA  56   0.617  -4.895  -6.788
  395    H    THR  57           H        THR  57   0.523  -3.584  -3.616
  396    HA   THR  57           HA       THR  57   1.753  -6.041  -2.683
  397    HB   THR  57           HB       THR  57   3.149  -4.123  -1.792
  398    HG1  THR  57           HG1      THR  57   3.083  -6.138  -0.731
  399   HG21  THR  57          3HG2      THR  57   1.377  -2.497  -1.405
  400   HG22  THR  57          1HG2      THR  57   2.214  -2.853   0.107
  401   HG23  THR  57          2HG2      THR  57   0.632  -3.561  -0.214
  402    H    GLU  58           H        GLU  58   0.627  -6.723  -0.569
  403    HA   GLU  58           HA       GLU  58  -2.230  -6.074  -0.854
  404    HB2  GLU  58           2HB      GLU  58  -1.690  -8.382  -1.488
  405    HB3  GLU  58           3HB      GLU  58  -0.936  -8.643   0.080
  406    HG2  GLU  58           2HG      GLU  58  -3.170  -8.118   1.113
  407    HG3  GLU  58           3HG      GLU  58  -3.842  -8.187  -0.516
  408    H    LEU  59           H        LEU  59  -2.934  -4.856   0.770
  409    HA   LEU  59           HA       LEU  59  -1.761  -5.032   3.409
  410    HB2  LEU  59           2HB      LEU  59  -4.168  -3.494   2.411
  411    HB3  LEU  59           3HB      LEU  59  -3.488  -3.360   4.022
  412    HG   LEU  59           HG       LEU  59  -2.107  -2.582   1.450
  413   HD11  LEU  59          1HD1      LEU  59  -2.324  -0.308   2.282
  414   HD12  LEU  59          2HD1      LEU  59  -3.193  -0.897   3.698
  415   HD13  LEU  59          3HD1      LEU  59  -3.909  -1.059   2.095
  416   HD21  LEU  59          3HD2      LEU  59  -0.531  -3.435   3.117
  417   HD22  LEU  59          1HD2      LEU  59  -1.192  -2.315   4.310
  418   HD23  LEU  59          2HD2      LEU  59  -0.351  -1.694   2.889
  419    HA   PRO  60           HA       PRO  60  -4.147  -8.403   4.887
  420    HB2  PRO  60           2HB      PRO  60  -4.508  -7.504   7.498
  421    HB3  PRO  60           3HB      PRO  60  -3.111  -8.402   6.900
  422    HG2  PRO  60           2HG      PRO  60  -3.445  -5.467   7.312
  423    HG3  PRO  60           3HG      PRO  60  -2.021  -6.487   7.593
  424    HD2  PRO  60           2HD      PRO  60  -2.189  -4.896   5.451
  425    HD3  PRO  60           3HD      PRO  60  -1.439  -6.504   5.344
  426    H    CYS  61           H        CYS  61  -5.359  -5.160   5.070
  427    HA   CYS  61           HA       CYS  61  -7.995  -6.005   5.931
  428    HB2  CYS  61           2HB      CYS  61  -8.586  -3.650   5.838
  429    HB3  CYS  61           3HB      CYS  61  -7.064  -3.847   6.696
  430    H    HIS  62           H        HIS  62  -6.684  -6.834   3.325
  431    HA   HIS  62           HA       HIS  62  -7.428  -7.503   1.292
  432    HB2  HIS  62           2HB      HIS  62 -10.065  -6.584   2.430
  433    HB3  HIS  62           3HB      HIS  62  -9.923  -7.300   0.829
  434    HD1  HIS  62           HD1      HIS  62  -9.824  -9.807   0.684
  435    HD2  HIS  62           HD2      HIS  62  -9.385  -8.399   4.578
  436    HE1  HIS  62           HE1      HIS  62  -9.904 -11.842   2.158
  437    HE2  HIS  62           HE2      HIS  62  -9.399 -10.990   4.474
  438    H    HIS  63           H        HIS  63  -6.271  -4.947   1.561
  439    HA   HIS  63           HA       HIS  63  -7.513  -3.612  -0.749
  440    HB2  HIS  63           2HB      HIS  63  -6.564  -2.456   1.820
  441    HB3  HIS  63           3HB      HIS  63  -6.206  -1.543   0.358
  442    HD2  HIS  63           HD2      HIS  63  -9.190  -2.229  -1.066
  443    HE1  HIS  63           HE1      HIS  63 -10.607   0.069   2.201
  444    HE2  HIS  63           HE2      HIS  63 -11.158  -0.881  -0.064
  445    H    TYR  64           H        TYR  64  -6.241  -3.598  -2.466
  446    HA   TYR  64           HA       TYR  64  -3.381  -4.108  -2.117
  447    HB2  TYR  64           2HB      TYR  64  -5.156  -4.269  -4.566
  448    HB3  TYR  64           3HB      TYR  64  -3.422  -4.563  -4.579
  449    HD1  TYR  64           HD1      TYR  64  -6.653  -5.817  -3.269
  450    HD2  TYR  64           HD2      TYR  64  -2.538  -6.660  -3.945
  451    HE1  TYR  64           HE1      TYR  64  -7.056  -8.181  -2.730
  452    HE2  TYR  64           HE2      TYR  64  -2.931  -9.027  -3.414
  453    HH   TYR  64           HH       TYR  64  -4.587 -10.353  -2.054
  454    H    PHE  65           H        PHE  65  -1.880  -2.627  -2.603
  455    HA   PHE  65           HA       PHE  65  -2.576  -0.284  -4.199
  456    HB2  PHE  65           2HB      PHE  65  -1.521  -0.152  -1.369
  457    HB3  PHE  65           3HB      PHE  65  -1.420   1.195  -2.495
  458    HD1  PHE  65           HD2      PHE  65  -3.627   2.044  -3.497
  459    HD2  PHE  65           HD1      PHE  65  -3.397  -0.435  -0.045
  460    HE1  PHE  65           HE2      PHE  65  -5.880   2.769  -2.831
  461    HE2  PHE  65           HE1      PHE  65  -5.646   0.295   0.631
  462    HZ   PHE  65           HZ       PHE  65  -6.891   1.897  -0.762
  463    H    HIS  66           H        HIS  66  -0.667   0.910  -4.903
  464    HA   HIS  66           HA       HIS  66   1.555  -0.673  -5.596
  465    HB2  HIS  66           2HB      HIS  66   1.252   2.333  -5.463
  466    HB3  HIS  66           3HB      HIS  66   2.688   1.534  -6.084
  467    HD2  HIS  66           HD2      HIS  66   0.958  -0.703  -7.928
  468    HE1  HIS  66           HE1      HIS  66  -0.317   2.812  -9.934
  469    HE2  HIS  66           HE2      HIS  66   0.107   0.342 -10.130
  470    H    LYS  67           H        LYS  67   3.205  -1.353  -4.365
  471    HA   LYS  67           HA       LYS  67   3.322  -0.813  -1.623
  472    HB2  LYS  67           2HB      LYS  67   4.228  -2.874  -2.628
  473    HB3  LYS  67           3HB      LYS  67   5.535  -1.941  -3.345
  474    HG2  LYS  67           2HG      LYS  67   6.400  -1.381  -1.169
  475    HG3  LYS  67           3HG      LYS  67   5.025  -2.155  -0.383
  476    HD2  LYS  67           2HD      LYS  67   5.716  -4.316  -1.291
  477    HD3  LYS  67           3HD      LYS  67   7.082  -3.543  -2.096
  478    HE2  LYS  67           2HE      LYS  67   8.029  -2.911   0.046
  479    HE3  LYS  67           3HE      LYS  67   6.631  -3.579   0.888
  480    HZ1  LYS  67           3HZ      LYS  67   8.452  -5.196  -0.811
  481    HZ2  LYS  67           1HZ      LYS  67   7.236  -5.769   0.220
  482    HZ3  LYS  67           2HZ      LYS  67   8.627  -5.044   0.862
  483    HA   PRO  68           HA       PRO  68   7.187   2.106  -2.686
  484    HB2  PRO  68           2HB      PRO  68   6.637   3.430  -5.088
  485    HB3  PRO  68           3HB      PRO  68   7.871   2.192  -4.846
  486    HG2  PRO  68           2HG      PRO  68   5.118   1.934  -5.959
  487    HG3  PRO  68           3HG      PRO  68   6.611   1.108  -6.444
  488    HD2  PRO  68           2HD      PRO  68   4.753  -0.151  -4.998
  489    HD3  PRO  68           3HD      PRO  68   6.482  -0.414  -4.687
  490    H    CYS  69           H        CYS  69   3.831   2.576  -3.591
  491    HA   CYS  69           HA       CYS  69   3.837   5.377  -2.874
  492    HB2  CYS  69           2HB      CYS  69   1.522   3.530  -3.498
  493    HB3  CYS  69           3HB      CYS  69   1.424   5.278  -3.339
  494    H    VAL  70           H        VAL  70   2.402   2.382  -1.582
  495    HA   VAL  70           HA       VAL  70   1.147   3.722   0.590
  496    HB   VAL  70           HB       VAL  70   0.341   1.575  -0.406
  497   HG11  VAL  70          1HG1      VAL  70   1.302  -0.528   0.317
  498   HG12  VAL  70          2HG1      VAL  70   2.565   0.332   1.197
  499   HG13  VAL  70          3HG1      VAL  70   2.497   0.429  -0.562
  500   HG21  VAL  70          3HG2      VAL  70  -0.544   2.355   1.703
  501   HG22  VAL  70          1HG2      VAL  70   0.795   1.605   2.572
  502   HG23  VAL  70          2HG2      VAL  70  -0.385   0.598   1.733
  503    H    SER  71           H        SER  71   4.284   2.255   0.152
  504    HA   SER  71           HA       SER  71   4.944   1.967   2.879
  505    HB2  SER  71           2HB      SER  71   7.335   2.083   2.030
  506    HB3  SER  71           3HB      SER  71   6.322   0.846   1.291
  507    HG   SER  71           HG       SER  71   6.239   1.971  -0.551
  508    H    ILE  72           H        ILE  72   5.492   4.618   0.595
  509    HA   ILE  72           HA       ILE  72   6.744   6.363   2.413
  510    HB   ILE  72           HB       ILE  72   5.098   7.037  -0.033
  511   HG12  ILE  72          2HG1      ILE  72   8.092   6.720   0.281
  512   HG13  ILE  72          3HG1      ILE  72   7.026   5.533  -0.462
  513   HG21  ILE  72          1HG2      ILE  72   7.093   8.699   1.496
  514   HG22  ILE  72          2HG2      ILE  72   5.353   8.972   1.407
  515   HG23  ILE  72          3HG2      ILE  72   6.350   9.154  -0.038
  516   HD11  ILE  72          3HD1      ILE  72   7.517   8.329  -1.462
  517   HD12  ILE  72          1HD1      ILE  72   6.461   7.130  -2.210
  518   HD13  ILE  72          2HD1      ILE  72   8.199   6.846  -2.132
  519    H    TRP  73           H        TRP  73   3.374   5.792   1.588
  520    HA   TRP  73           HA       TRP  73   2.248   7.915   3.057
  521    HB2  TRP  73           2HB      TRP  73   0.902   6.829   1.409
  522    HB3  TRP  73           3HB      TRP  73   1.142   5.253   2.156
  523    HD1  TRP  73           HD1      TRP  73  -0.504   4.550   4.051
  524    HE1  TRP  73           HE1      TRP  73  -2.600   5.612   5.092
  525    HE3  TRP  73           HE3      TRP  73  -0.126   9.226   2.019
  526    HZ2  TRP  73           HZ2      TRP  73  -3.920   8.107   5.055
  527    HZ3  TRP  73           HZ3      TRP  73  -1.849  10.892   2.574
  528    HH2  TRP  73           HH2      TRP  73  -3.706  10.342   4.060
  529    H    LEU  74           H        LEU  74   2.721   4.487   3.924
  530    HA   LEU  74           HA       LEU  74   1.543   4.715   6.481
  531    HB2  LEU  74           2HB      LEU  74   3.478   2.677   5.395
  532    HB3  LEU  74           3HB      LEU  74   2.640   2.523   6.926
  533    HG   LEU  74           HG       LEU  74   1.273   2.694   4.238
  534   HD11  LEU  74          1HD1      LEU  74   0.811   0.310   4.550
  535   HD12  LEU  74          2HD1      LEU  74   1.802   0.312   6.009
  536   HD13  LEU  74          3HD1      LEU  74   2.542   0.627   4.440
  537   HD21  LEU  74          3HD2      LEU  74   0.215   2.072   6.994
  538   HD22  LEU  74          1HD2      LEU  74  -0.709   1.982   5.494
  539   HD23  LEU  74          2HD2      LEU  74  -0.097   3.537   6.061
  540    H    GLN  75           H        GLN  75   4.746   5.394   5.327
  541    HA   GLN  75           HA       GLN  75   5.951   5.444   7.932
  542    HB2  GLN  75           2HB      GLN  75   6.870   6.505   5.259
  543    HB3  GLN  75           3HB      GLN  75   7.824   6.640   6.731
  544    HG2  GLN  75           2HG      GLN  75   7.924   4.234   6.928
  545    HG3  GLN  75           3HG      GLN  75   6.879   4.052   5.520
  546   HE21  GLN  75          1HE2      GLN  75   8.391   2.875   4.384
  547   HE22  GLN  75          2HE2      GLN  75   9.824   3.578   3.716
  548    H    LYS  76           H        LYS  76   3.686   7.362   6.544
  549    HA   LYS  76           HA       LYS  76   4.537   9.693   8.136
  550    HB2  LYS  76           2HB      LYS  76   2.496   9.646   5.903
  551    HB3  LYS  76           3HB      LYS  76   3.079  11.065   6.761
  552    HG2  LYS  76           2HG      LYS  76   5.354  10.589   5.863
  553    HG3  LYS  76           3HG      LYS  76   4.641   9.303   4.885
  554    HD2  LYS  76           2HD      LYS  76   3.078  11.060   3.949
  555    HD3  LYS  76           3HD      LYS  76   4.098  12.262   4.741
  556    HE2  LYS  76           2HE      LYS  76   4.919  10.296   2.608
  557    HE3  LYS  76           3HE      LYS  76   4.766  12.043   2.437
  558    HZ1  LYS  76           3HZ      LYS  76   7.068  11.441   2.678
  559    HZ2  LYS  76           1HZ      LYS  76   6.748  10.602   4.116
  560    HZ3  LYS  76           2HZ      LYS  76   6.576  12.287   4.063
  561    H    SER  77           H        SER  77   1.658   7.859   7.130
  562    HA   SER  77           HA       SER  77   0.570   8.222   9.837
  563    HB2  SER  77           2HB      SER  77  -1.048   8.412   7.279
  564    HB3  SER  77           3HB      SER  77  -1.662   8.595   8.924
  565    HG   SER  77           HG       SER  77  -0.076  10.401   9.060
  566    H    GLY  78           H        GLY  78  -0.020   6.341  10.751
  567    HA2  GLY  78           2HA      GLY  78   0.307   3.921   9.169
  568    HA3  GLY  78           3HA      GLY  78   0.152   4.012  10.915
  569    H    THR  79           H        THR  79  -1.857   4.909   8.115
  570    HA   THR  79           HA       THR  79  -3.954   3.133   9.086
  571    HB   THR  79           HB       THR  79  -4.504   6.065   8.540
  572    HG1  THR  79           HG1      THR  79  -3.671   6.087  10.550
  573   HG21  THR  79          3HG2      THR  79  -6.304   3.868   9.550
  574   HG22  THR  79          1HG2      THR  79  -6.369   4.608   7.951
  575   HG23  THR  79          2HG2      THR  79  -6.744   5.567   9.383
  576    H    CYS  80           H        CYS  80  -5.411   2.490   7.463
  577    HA   CYS  80           HA       CYS  80  -4.442   2.646   4.766
  578    HB2  CYS  80           2HB      CYS  80  -5.740   0.719   5.903
  579    HB3  CYS  80           3HB      CYS  80  -7.174   1.681   5.612
  580    HA   PRO  81           HA       PRO  81  -6.125   6.691   4.101
  581    HB2  PRO  81           2HB      PRO  81  -6.039   6.610   1.330
  582    HB3  PRO  81           3HB      PRO  81  -4.689   7.047   2.381
  583    HG2  PRO  81           2HG      PRO  81  -5.305   4.431   1.075
  584    HG3  PRO  81           3HG      PRO  81  -3.740   5.238   1.288
  585    HD2  PRO  81           2HD      PRO  81  -4.462   3.195   2.852
  586    HD3  PRO  81           3HD      PRO  81  -3.564   4.579   3.512
  587    H    VAL  82           H        VAL  82  -7.513   3.846   2.646
  588    HA   VAL  82           HA       VAL  82  -9.864   5.303   1.749
  589    HB   VAL  82           HB       VAL  82  -9.182   2.370   1.474
  590   HG11  VAL  82          1HG1      VAL  82 -11.588   2.727   1.423
  591   HG12  VAL  82          2HG1      VAL  82 -10.991   2.316  -0.184
  592   HG13  VAL  82          3HG1      VAL  82 -11.392   3.988   0.205
  593   HG21  VAL  82          3HG2      VAL  82  -7.647   3.809   0.241
  594   HG22  VAL  82          1HG2      VAL  82  -9.007   4.632  -0.523
  595   HG23  VAL  82          2HG2      VAL  82  -8.699   2.928  -0.866
  596    H    CYS  83           H        CYS  83  -9.297   2.388   3.774
  597    HA   CYS  83           HA       CYS  83 -12.041   2.585   4.727
  598    HB2  CYS  83           2HB      CYS  83 -11.685   0.374   5.677
  599    HB3  CYS  83           3HB      CYS  83 -11.158   0.401   3.997
  600    H    ARG  84           H        ARG  84  -9.176   3.875   5.660
  601    HA   ARG  84           HA       ARG  84  -8.249   4.667   7.549
  602    HB2  ARG  84           2HB      ARG  84  -9.786   5.856   9.119
  603    HB3  ARG  84           3HB      ARG  84  -9.961   6.307   7.436
  604    HG2  ARG  84           2HG      ARG  84 -11.796   4.246   8.533
  605    HG3  ARG  84           3HG      ARG  84 -12.032   5.929   9.007
  606    HD2  ARG  84           2HD      ARG  84 -12.227   6.598   6.692
  607    HD3  ARG  84           3HD      ARG  84 -11.856   4.959   6.155
  608    HE   ARG  84           HE       ARG  84 -14.227   5.457   7.812
  609   HH11  ARG  84          1HH1      ARG  84 -12.847   4.565   4.716
  610   HH12  ARG  84          2HH1      ARG  84 -14.299   3.801   4.145
  611   HH21  ARG  84          1HH2      ARG  84 -16.148   4.495   7.057
  612   HH22  ARG  84          2HH2      ARG  84 -16.181   3.771   5.469
  613    H    CYS  85           H        CYS  85  -8.480   1.907   7.574
  614    HA   CYS  85           HA       CYS  85  -8.808   1.293  10.412
  615    HB2  CYS  85           2HB      CYS  85  -9.664  -0.331   8.736
  616    HB3  CYS  85           3HB      CYS  85  -8.034  -0.515   8.101
  617    HG   CYS  85           HG       CYS  85  -9.311  -1.655  11.043
  618    H    MET  86           H        MET  86  -7.004   0.480  11.633
  619    HA   MET  86           HA       MET  86  -4.674   2.062  11.127
  620    HB2  MET  86           2HB      MET  86  -5.620   1.683  13.393
  621    HB3  MET  86           3HB      MET  86  -5.148  -0.007  13.280
  622    HG2  MET  86           2HG      MET  86  -2.784   0.767  13.001
  623    HG3  MET  86           3HG      MET  86  -3.345   2.396  13.371
  624    HE1  MET  86           3HE      MET  86  -2.704  -1.213  14.706
  625    HE2  MET  86           1HE      MET  86  -4.460  -1.086  14.819
  626    HE3  MET  86           2HE      MET  86  -3.486  -1.170  16.287
  627    H    PHE  87           H        PHE  87  -2.615   1.436  10.657
  628    HA   PHE  87           HA       PHE  87  -2.093  -1.429  10.249
  629    HB2  PHE  87           2HB      PHE  87  -2.340  -0.240   8.053
  630    HB3  PHE  87           3HB      PHE  87  -1.000   0.803   8.511
  631    HD1  PHE  87           HD1      PHE  87  -1.974  -2.571   7.486
  632    HD2  PHE  87           HD2      PHE  87   1.276  -0.016   8.507
  633    HE1  PHE  87           HE1      PHE  87  -0.394  -4.214   6.562
  634    HE2  PHE  87           HE2      PHE  87   2.858  -1.655   7.580
  635    HZ   PHE  87           HZ       PHE  87   2.025  -3.757   6.607
  636    HA   PRO  88           HA       PRO  88  -0.249  -2.892  10.238
  637    HB2  PRO  88           2HB      PRO  88   0.282  -4.294  12.536
  638    HB3  PRO  88           3HB      PRO  88   1.516  -3.796  11.373
  639    HG2  PRO  88           2HG      PRO  88   0.711  -2.509  13.949
  640    HG3  PRO  88           3HG      PRO  88   2.336  -2.773  13.289
  641    HD2  PRO  88           2HD      PRO  88   1.132  -0.378  13.151
  642    HD3  PRO  88           3HD      PRO  88   2.178  -0.969  11.845
  643    HA   PRO  89           HA       PRO  89  -4.411  -3.682  11.244
  644    HB2  PRO  89           2HB      PRO  89  -4.386  -6.438  11.632
  645    HB3  PRO  89           3HB      PRO  89  -4.516  -5.624  10.072
  646    HG2  PRO  89           2HG      PRO  89  -2.111  -6.788  11.409
  647    HG3  PRO  89           3HG      PRO  89  -2.569  -6.820   9.695
  648    HD2  PRO  89           2HD      PRO  89  -0.688  -5.152  10.580
  649    HD3  PRO  89           3HD      PRO  89  -1.849  -4.639   9.336
  650    HA   PRO  90           HA       PRO  90  -4.678  -3.646  15.680
  651    HB2  PRO  90           2HB      PRO  90  -7.408  -3.867  15.839
  652    HB3  PRO  90           3HB      PRO  90  -6.554  -2.355  15.516
  653    HG2  PRO  90           2HG      PRO  90  -7.894  -4.222  13.605
  654    HG3  PRO  90           3HG      PRO  90  -7.880  -2.448  13.619
  655    HD2  PRO  90           2HD      PRO  90  -6.326  -3.885  11.947
  656    HD3  PRO  90           3HD      PRO  90  -5.799  -2.332  12.627
  657    H    LEU  91           H        LEU  91  -5.083  -5.060  17.379
  658    HA   LEU  91           HA       LEU  91  -5.358  -7.856  16.587
  659    HB2  LEU  91           2HB      LEU  91  -4.579  -6.667  19.255
  660    HB3  LEU  91           3HB      LEU  91  -4.518  -8.366  18.827
  661    HG   LEU  91           HG       LEU  91  -2.833  -6.192  17.578
  662   HD11  LEU  91          1HD1      LEU  91  -2.117  -8.354  19.551
  663   HD12  LEU  91          2HD1      LEU  91  -2.199  -6.626  19.887
  664   HD13  LEU  91          3HD1      LEU  91  -0.982  -7.252  18.776
  665   HD21  LEU  91          3HD2      LEU  91  -2.778  -9.185  17.220
  666   HD22  LEU  91          1HD2      LEU  91  -1.621  -8.046  16.535
  667   HD23  LEU  91          2HD2      LEU  91  -3.307  -8.006  16.020
  Start of MODEL   16
    1    H1   MET   1           1H       MET   1 -34.322   6.638  14.934
    2    H2   MET   1           2H       MET   1 -33.535   8.129  14.773
    3    H3   MET   1           3H       MET   1 -35.214   8.076  15.003
    4    HA   MET   1           HA       MET   1 -34.030   8.714  17.021
    5    HB2  MET   1           2HB      MET   1 -35.316   5.982  17.202
    6    HB3  MET   1           3HB      MET   1 -35.132   7.131  18.519
    7    HG2  MET   1           2HG      MET   1 -36.823   7.489  16.060
    8    HG3  MET   1           3HG      MET   1 -37.396   7.139  17.689
    9    HE1  MET   1           3HE      MET   1 -39.086   9.183  17.517
   10    HE2  MET   1           1HE      MET   1 -38.499   9.517  15.887
   11    HE3  MET   1           2HE      MET   1 -38.595  10.818  17.074
   12    H    GLY   2           H        GLY   2 -32.212   6.902  15.204
   13    HA2  GLY   2           2HA      GLY   2 -31.060   5.105  17.168
   14    HA3  GLY   2           3HA      GLY   2 -30.607   5.238  15.477
   15    H    HIS   3           H        HIS   3 -30.538   7.265  18.415
   16    HA   HIS   3           HA       HIS   3 -27.862   8.149  17.610
   17    HB2  HIS   3           2HB      HIS   3 -28.113   9.868  19.425
   18    HB3  HIS   3           3HB      HIS   3 -29.261  10.023  18.106
   19    HD1  HIS   3           HD1      HIS   3 -31.733   9.767  18.648
   20    HD2  HIS   3           HD2      HIS   3 -29.246   9.109  21.918
   21    HE1  HIS   3           HE1      HIS   3 -33.247   9.696  20.657
   22    HE2  HIS   3           HE2      HIS   3 -31.741   9.166  22.601
   23    H    HIS   4           H        HIS   4 -26.165   7.223  18.454
   24    HA   HIS   4           HA       HIS   4 -26.232   6.248  21.209
   25    HB2  HIS   4           2HB      HIS   4 -25.430   4.509  18.862
   26    HB3  HIS   4           3HB      HIS   4 -25.186   4.093  20.554
   27    HD1  HIS   4           HD1      HIS   4 -27.487   3.814  21.984
   28    HD2  HIS   4           HD2      HIS   4 -27.840   3.777  17.841
   29    HE1  HIS   4           HE1      HIS   4 -29.729   2.789  21.503
   30    HE2  HIS   4           HE2      HIS   4 -30.017   3.010  19.007
   31    H    HIS   5           H        HIS   5 -24.179   6.152  22.178
   32    HA   HIS   5           HA       HIS   5 -22.018   7.287  20.542
   33    HB2  HIS   5           2HB      HIS   5 -21.315   8.506  22.716
   34    HB3  HIS   5           3HB      HIS   5 -22.624   9.175  21.752
   35    HD1  HIS   5           HD1      HIS   5 -24.876   9.413  22.849
   36    HD2  HIS   5           HD2      HIS   5 -22.175   7.264  25.175
   37    HE1  HIS   5           HE1      HIS   5 -25.984   9.127  25.087
   38    HE2  HIS   5           HE2      HIS   5 -24.400   7.705  26.429
   39    H    HIS   6           H        HIS   6 -21.565   4.945  20.427
   40    HA   HIS   6           HA       HIS   6 -19.555   4.377  22.501
   41    HB2  HIS   6           2HB      HIS   6 -21.497   2.403  21.278
   42    HB3  HIS   6           3HB      HIS   6 -20.032   1.910  22.120
   43    HD1  HIS   6           HD1      HIS   6 -23.418   1.994  22.782
   44    HD2  HIS   6           HD2      HIS   6 -20.134   3.507  24.833
   45    HE1  HIS   6           HE1      HIS   6 -24.177   2.275  25.159
   46    HE2  HIS   6           HE2      HIS   6 -22.244   3.392  26.325
   47    H    HIS   7           H        HIS   7 -19.953   5.406  19.599
   48    HA   HIS   7           HA       HIS   7 -17.718   3.894  18.441
   49    HB2  HIS   7           2HB      HIS   7 -19.657   3.186  17.208
   50    HB3  HIS   7           3HB      HIS   7 -20.244   4.837  17.063
   51    HD1  HIS   7           HD1      HIS   7 -17.886   2.393  15.506
   52    HD2  HIS   7           HD2      HIS   7 -18.967   6.388  15.071
   53    HE1  HIS   7           HE1      HIS   7 -16.931   3.120  13.301
   54    HE2  HIS   7           HE2      HIS   7 -17.435   5.584  13.148
   55    H    HIS   8           H        HIS   8 -16.043   5.143  17.946
   56    HA   HIS   8           HA       HIS   8 -16.461   7.789  16.867
   57    HB2  HIS   8           2HB      HIS   8 -16.351   8.034  19.425
   58    HB3  HIS   8           3HB      HIS   8 -14.661   7.558  19.284
   59    HD1  HIS   8           HD1      HIS   8 -13.072   9.451  19.012
   60    HD2  HIS   8           HD2      HIS   8 -16.910  10.427  17.730
   61    HE1  HIS   8           HE1      HIS   8 -12.963  11.859  18.302
   62    HE2  HIS   8           HE2      HIS   8 -15.229  12.350  17.323
   63    H    SER   9           H        SER   9 -14.465   8.659  15.944
   64    HA   SER   9           HA       SER   9 -12.975   6.732  14.580
   65    HB2  SER   9           2HB      SER   9 -12.272   9.637  15.054
   66    HB3  SER   9           3HB      SER   9 -11.624   8.605  13.778
   67    HG   SER   9           HG       SER   9 -13.492  10.068  13.278
   68    H    HIS  10           H        HIS  10 -11.997   5.277  15.970
   69    HA   HIS  10           HA       HIS  10 -10.184   5.943  18.035
   70    HB2  HIS  10           2HB      HIS  10 -10.438   3.481  16.290
   71    HB3  HIS  10           3HB      HIS  10  -9.244   3.609  17.572
   72    HD1  HIS  10           HD1      HIS  10  -9.976   2.350  19.539
   73    HD2  HIS  10           HD2      HIS  10 -13.189   4.141  17.597
   74    HE1  HIS  10           HE1      HIS  10 -12.012   1.725  20.879
   75    HE2  HIS  10           HE2      HIS  10 -13.963   2.689  19.601
   76    H    MET  11           H        MET  11  -9.968   5.795  14.614
   77    HA   MET  11           HA       MET  11  -7.058   6.072  14.592
   78    HB2  MET  11           2HB      MET  11  -7.260   5.657  12.178
   79    HB3  MET  11           3HB      MET  11  -8.028   4.382  13.111
   80    HG2  MET  11           2HG      MET  11  -9.480   6.669  11.792
   81    HG3  MET  11           3HG      MET  11  -9.314   5.051  11.116
   82    HE1  MET  11           3HE      MET  11 -11.321   2.911  13.744
   83    HE2  MET  11           1HE      MET  11  -9.599   3.288  13.797
   84    HE3  MET  11           2HE      MET  11 -10.363   2.871  12.265
   85    H    VAL  12           H        VAL  12  -8.582   8.229  15.583
   86    HA   VAL  12           HA       VAL  12  -9.209  10.229  13.753
   87    HB   VAL  12           HB       VAL  12  -9.858  10.395  16.085
   88   HG11  VAL  12          1HG1      VAL  12  -7.920   9.398  17.142
   89   HG12  VAL  12          2HG1      VAL  12  -8.247  10.984  17.838
   90   HG13  VAL  12          3HG1      VAL  12  -6.930  10.783  16.683
   91   HG21  VAL  12          3HG2      VAL  12  -8.039  12.658  15.272
   92   HG22  VAL  12          1HG2      VAL  12  -9.287  12.743  16.516
   93   HG23  VAL  12          2HG2      VAL  12  -9.735  12.469  14.832
   94    H    ALA  13           H        ALA  13  -6.104   9.337  15.147
   95    HA   ALA  13           HA       ALA  13  -4.813  11.064  13.144
   96    HB1  ALA  13           3HB      ALA  13  -4.526  12.068  15.356
   97    HB2  ALA  13           1HB      ALA  13  -2.988  11.499  14.709
   98    HB3  ALA  13           2HB      ALA  13  -3.821  10.565  15.951
   99    H    ASN  14           H        ASN  14  -3.977   8.510  15.475
  100    HA   ASN  14           HA       ASN  14  -3.151   6.419  15.236
  101    HB2  ASN  14           2HB      ASN  14  -4.727   6.318  13.244
  102    HB3  ASN  14           3HB      ASN  14  -3.330   6.694  12.241
  103   HD21  ASN  14          1HD2      ASN  14  -1.621   5.179  12.127
  104   HD22  ASN  14          2HD2      ASN  14  -1.884   3.514  12.508
  105    HA   PRO  15           HA       PRO  15   1.154   7.478  14.851
  106    HB2  PRO  15           2HB      PRO  15   1.647   4.641  15.450
  107    HB3  PRO  15           3HB      PRO  15   2.089   6.075  16.378
  108    HG2  PRO  15           2HG      PRO  15   0.169   4.386  17.204
  109    HG3  PRO  15           3HG      PRO  15   0.083   6.133  17.503
  110    HD2  PRO  15           2HD      PRO  15  -1.316   4.492  15.422
  111    HD3  PRO  15           3HD      PRO  15  -1.943   5.821  16.421
  112    HA   PRO  16           HA       PRO  16   2.575   5.880  10.935
  113    HB2  PRO  16           2HB      PRO  16   5.322   5.760  11.920
  114    HB3  PRO  16           3HB      PRO  16   4.616   6.836  10.713
  115    HG2  PRO  16           2HG      PRO  16   5.406   7.704  13.149
  116    HG3  PRO  16           3HG      PRO  16   4.048   8.427  12.266
  117    HD2  PRO  16           2HD      PRO  16   4.013   6.470  14.530
  118    HD3  PRO  16           3HD      PRO  16   2.968   7.878  14.239
  119    H    ALA  17           H        ALA  17   3.837   4.076   9.946
  120    HA   ALA  17           HA       ALA  17   3.464   1.659  11.526
  121    HB1  ALA  17           3HB      ALA  17   4.231   2.003   8.625
  122    HB2  ALA  17           1HB      ALA  17   2.607   1.693   9.244
  123    HB3  ALA  17           2HB      ALA  17   3.865   0.470   9.417
  124    H    SER  18           H        SER  18   5.266  -0.096  10.871
  125    HA   SER  18           HA       SER  18   7.810   1.088  11.725
  126    HB2  SER  18           2HB      SER  18   8.401  -1.265  12.363
  127    HB3  SER  18           3HB      SER  18   6.994  -0.637  13.222
  128    HG   SER  18           HG       SER  18   6.398  -2.632  12.531
  129    H    LYS  19           H        LYS  19   9.802   0.085  10.788
  130    HA   LYS  19           HA       LYS  19   9.728   0.226   7.961
  131    HB2  LYS  19           2HB      LYS  19  11.734   0.747   9.344
  132    HB3  LYS  19           3HB      LYS  19  11.893  -0.968   9.702
  133    HG2  LYS  19           2HG      LYS  19  12.019  -1.304   7.171
  134    HG3  LYS  19           3HG      LYS  19  12.279   0.439   7.084
  135    HD2  LYS  19           2HD      LYS  19  14.430  -0.526   7.120
  136    HD3  LYS  19           3HD      LYS  19  14.158   0.097   8.749
  137    HE2  LYS  19           2HE      LYS  19  15.155  -2.109   8.863
  138    HE3  LYS  19           3HE      LYS  19  13.505  -2.154   9.486
  139    HZ1  LYS  19           3HZ      LYS  19  13.897  -4.046   8.072
  140    HZ2  LYS  19           1HZ      LYS  19  14.396  -3.049   6.793
  141    HZ3  LYS  19           2HZ      LYS  19  12.788  -3.015   7.315
  142    H    GLU  20           H        GLU  20   9.978  -2.451  10.233
  143    HA   GLU  20           HA       GLU  20  10.361  -4.534   8.425
  144    HB2  GLU  20           2HB      GLU  20   8.956  -4.575  11.096
  145    HB3  GLU  20           3HB      GLU  20   9.478  -6.003  10.213
  146    HG2  GLU  20           2HG      GLU  20  11.799  -5.215  10.357
  147    HG3  GLU  20           3HG      GLU  20  11.251  -3.831  11.302
  148    H    SER  21           H        SER  21   7.292  -3.233   9.710
  149    HA   SER  21           HA       SER  21   5.669  -5.169   8.457
  150    HB2  SER  21           2HB      SER  21   3.821  -3.454   8.831
  151    HB3  SER  21           3HB      SER  21   4.702  -3.976  10.266
  152    HG   SER  21           HG       SER  21   5.684  -2.057  10.395
  153    H    ILE  22           H        ILE  22   6.706  -1.943   7.446
  154    HA   ILE  22           HA       ILE  22   5.262  -1.898   5.006
  155    HB   ILE  22           HB       ILE  22   7.835  -0.455   5.679
  156   HG12  ILE  22          2HG1      ILE  22   4.970   0.490   5.952
  157   HG13  ILE  22          3HG1      ILE  22   5.991  -0.020   7.294
  158   HG21  ILE  22          1HG2      ILE  22   7.340  -0.503   3.287
  159   HG22  ILE  22          2HG2      ILE  22   7.163   1.123   3.948
  160   HG23  ILE  22          3HG2      ILE  22   5.732   0.150   3.606
  161   HD11  ILE  22          3HD1      ILE  22   5.880   2.403   7.113
  162   HD12  ILE  22          1HD1      ILE  22   6.523   2.316   5.472
  163   HD13  ILE  22          2HD1      ILE  22   7.521   1.815   6.838
  164    H    ASP  23           H        ASP  23   8.513  -2.965   5.880
  165    HA   ASP  23           HA       ASP  23   9.415  -3.459   3.240
  166    HB2  ASP  23           2HB      ASP  23  10.891  -3.188   5.248
  167    HB3  ASP  23           3HB      ASP  23  10.364  -4.775   5.796
  168    H    ALA  24           H        ALA  24   7.705  -5.386   5.616
  169    HA   ALA  24           HA       ALA  24   8.058  -7.874   4.238
  170    HB1  ALA  24           3HB      ALA  24   6.580  -8.799   5.919
  171    HB2  ALA  24           1HB      ALA  24   6.139  -7.178   6.452
  172    HB3  ALA  24           2HB      ALA  24   7.791  -7.758   6.670
  173    H    LEU  25           H        LEU  25   6.089  -5.252   3.606
  174    HA   LEU  25           HA       LEU  25   3.628  -6.316   2.917
  175    HB2  LEU  25           2HB      LEU  25   5.240  -4.059   1.781
  176    HB3  LEU  25           3HB      LEU  25   3.695  -4.495   1.076
  177    HG   LEU  25           HG       LEU  25   4.087  -3.697   3.961
  178   HD11  LEU  25          1HD1      LEU  25   3.002  -2.116   1.632
  179   HD12  LEU  25          2HD1      LEU  25   4.539  -1.829   2.450
  180   HD13  LEU  25          3HD1      LEU  25   3.020  -1.595   3.318
  181   HD21  LEU  25          3HD2      LEU  25   1.645  -3.546   3.968
  182   HD22  LEU  25          1HD2      LEU  25   2.187  -5.182   3.592
  183   HD23  LEU  25          2HD2      LEU  25   1.603  -4.127   2.304
  184    HA   PRO  26           HA       PRO  26   4.508  -9.330  -0.236
  185    HB2  PRO  26           2HB      PRO  26   1.963  -9.151  -1.384
  186    HB3  PRO  26           3HB      PRO  26   2.432 -10.235  -0.071
  187    HG2  PRO  26           2HG      PRO  26   1.036  -7.606   0.047
  188    HG3  PRO  26           3HG      PRO  26   0.799  -9.050   1.044
  189    HD2  PRO  26           2HD      PRO  26   2.118  -6.915   1.979
  190    HD3  PRO  26           3HD      PRO  26   2.621  -8.567   2.399
  191    H    GLU  27           H        GLU  27   5.083  -9.289  -2.391
  192    HA   GLU  27           HA       GLU  27   4.878  -6.630  -3.640
  193    HB2  GLU  27           2HB      GLU  27   7.084  -8.650  -4.035
  194    HB3  GLU  27           3HB      GLU  27   7.053  -6.983  -4.597
  195    HG2  GLU  27           2HG      GLU  27   7.089  -6.192  -2.300
  196    HG3  GLU  27           3HG      GLU  27   7.085  -7.855  -1.718
  197    H    ILE  28           H        ILE  28   3.360  -6.732  -5.145
  198    HA   ILE  28           HA       ILE  28   3.337  -9.057  -6.956
  199    HB   ILE  28           HB       ILE  28   1.125  -7.052  -6.473
  200   HG12  ILE  28          2HG1      ILE  28   1.343  -9.915  -5.508
  201   HG13  ILE  28          3HG1      ILE  28   1.596  -8.496  -4.497
  202   HG21  ILE  28          1HG2      ILE  28   1.070  -8.044  -8.698
  203   HG22  ILE  28          2HG2      ILE  28  -0.268  -8.641  -7.716
  204   HG23  ILE  28          3HG2      ILE  28   1.146  -9.659  -7.992
  205   HD11  ILE  28          3HD1      ILE  28  -0.717  -7.820  -4.872
  206   HD12  ILE  28          1HD1      ILE  28  -0.615  -9.433  -4.167
  207   HD13  ILE  28          2HD1      ILE  28  -0.968  -9.242  -5.885
  208    H    LEU  29           H        LEU  29   4.453  -8.601  -8.771
  209    HA   LEU  29           HA       LEU  29   4.872  -5.960  -9.732
  210    HB2  LEU  29           2HB      LEU  29   6.448  -7.753 -10.216
  211    HB3  LEU  29           3HB      LEU  29   5.212  -8.627 -11.103
  212    HG   LEU  29           HG       LEU  29   5.146  -6.817 -12.779
  213   HD11  LEU  29          1HD1      LEU  29   7.448  -5.668 -11.209
  214   HD12  LEU  29          2HD1      LEU  29   5.839  -4.963 -11.363
  215   HD13  LEU  29          3HD1      LEU  29   6.882  -5.099 -12.779
  216   HD21  LEU  29          3HD2      LEU  29   7.895  -7.947 -12.278
  217   HD22  LEU  29          1HD2      LEU  29   7.304  -7.300 -13.808
  218   HD23  LEU  29          2HD2      LEU  29   6.579  -8.757 -13.128
  219    H    VAL  30           H        VAL  30   3.428  -4.718 -10.715
  220    HA   VAL  30           HA       VAL  30   0.912  -5.799 -11.558
  221    HB   VAL  30           HB       VAL  30   1.948  -2.994 -11.989
  222   HG11  VAL  30          1HG1      VAL  30  -0.863  -4.087 -11.896
  223   HG12  VAL  30          2HG1      VAL  30   0.004  -3.575 -13.344
  224   HG13  VAL  30          3HG1      VAL  30  -0.414  -2.393 -12.104
  225   HG21  VAL  30          3HG2      VAL  30   2.057  -3.571  -9.621
  226   HG22  VAL  30          1HG2      VAL  30   0.374  -4.096  -9.662
  227   HG23  VAL  30          2HG2      VAL  30   0.776  -2.399  -9.927
  228    H    THR  31           H        THR  31   0.614  -6.755 -13.447
  229    HA   THR  31           HA       THR  31   1.921  -5.580 -15.801
  230    HB   THR  31           HB       THR  31   1.829  -7.746 -16.906
  231    HG1  THR  31           HG1      THR  31   0.835  -9.450 -16.073
  232   HG21  THR  31          3HG2      THR  31   3.467  -8.976 -15.557
  233   HG22  THR  31          1HG2      THR  31   3.094  -7.944 -14.173
  234   HG23  THR  31          2HG2      THR  31   3.833  -7.251 -15.618
  235    H    GLU  32           H        GLU  32   0.585  -6.052 -17.844
  236    HA   GLU  32           HA       GLU  32  -2.030  -4.966 -17.334
  237    HB2  GLU  32           2HB      GLU  32  -0.582  -5.667 -19.892
  238    HB3  GLU  32           3HB      GLU  32  -2.171  -4.911 -19.839
  239    HG2  GLU  32           2HG      GLU  32  -1.275  -2.975 -18.737
  240    HG3  GLU  32           3HG      GLU  32   0.304  -3.744 -18.591
  241    H    ASP  33           H        ASP  33  -0.973  -7.983 -17.093
  242    HA   ASP  33           HA       ASP  33  -2.999  -9.402 -18.568
  243    HB2  ASP  33           2HB      ASP  33  -1.230 -10.447 -16.347
  244    HB3  ASP  33           3HB      ASP  33  -2.089 -11.396 -17.556
  245    H    HIS  34           H        HIS  34  -2.368  -8.581 -15.185
  246    HA   HIS  34           HA       HIS  34  -4.748  -9.890 -14.251
  247    HB2  HIS  34           2HB      HIS  34  -2.532  -9.459 -12.961
  248    HB3  HIS  34           3HB      HIS  34  -3.190  -7.852 -12.675
  249    HD1  HIS  34           HD1      HIS  34  -5.502  -7.786 -11.290
  250    HD2  HIS  34           HD2      HIS  34  -3.454 -11.408 -11.291
  251    HE1  HIS  34           HE1      HIS  34  -6.458  -9.109  -9.384
  252    HE2  HIS  34           HE2      HIS  34  -5.374 -11.372  -9.550
  253    H    GLY  35           H        GLY  35  -3.783  -6.626 -15.092
  254    HA2  GLY  35           2HA      GLY  35  -5.071  -4.768 -15.550
  255    HA3  GLY  35           3HA      GLY  35  -6.506  -5.760 -15.317
  256    H    ALA  36           H        ALA  36  -7.747  -5.161 -13.680
  257    HA   ALA  36           HA       ALA  36  -7.001  -3.323 -11.682
  258    HB1  ALA  36           3HB      ALA  36  -9.232  -5.357 -11.646
  259    HB2  ALA  36           1HB      ALA  36  -9.331  -3.722 -12.298
  260    HB3  ALA  36           2HB      ALA  36  -9.087  -3.969 -10.568
  261    H    VAL  37           H        VAL  37  -6.341  -3.626  -9.530
  262    HA   VAL  37           HA       VAL  37  -5.205  -6.298  -9.076
  263    HB   VAL  37           HB       VAL  37  -4.295  -3.679  -7.874
  264   HG11  VAL  37          1HG1      VAL  37  -3.833  -5.583  -6.428
  265   HG12  VAL  37          2HG1      VAL  37  -2.339  -4.967  -7.138
  266   HG13  VAL  37          3HG1      VAL  37  -3.078  -6.438  -7.774
  267   HG21  VAL  37          3HG2      VAL  37  -3.860  -3.775 -10.278
  268   HG22  VAL  37          1HG2      VAL  37  -3.064  -5.335 -10.075
  269   HG23  VAL  37          2HG2      VAL  37  -2.360  -3.887  -9.355
  270    H    GLY  38           H        GLY  38  -7.068  -7.172  -8.144
  271    HA2  GLY  38           2HA      GLY  38  -7.919  -8.065  -6.199
  272    HA3  GLY  38           3HA      GLY  38  -6.969  -6.907  -5.287
  273    H    GLN  39           H        GLN  39  -7.798  -4.624  -5.376
  274    HA   GLN  39           HA       GLN  39 -10.711  -4.751  -4.994
  275    HB2  GLN  39           2HB      GLN  39  -9.443  -4.280  -2.949
  276    HB3  GLN  39           3HB      GLN  39  -8.693  -2.893  -3.726
  277    HG2  GLN  39           2HG      GLN  39 -10.462  -2.174  -2.255
  278    HG3  GLN  39           3HG      GLN  39 -10.886  -1.826  -3.929
  279   HE21  GLN  39          1HE2      GLN  39 -11.050  -5.005  -2.483
  280   HE22  GLN  39          2HE2      GLN  39 -12.776  -5.151  -2.525
  281    H    GLU  40           H        GLU  40  -8.106  -2.614  -6.147
  282    HA   GLU  40           HA       GLU  40 -10.137  -1.217  -7.748
  283    HB2  GLU  40           2HB      GLU  40  -8.638  -0.148  -5.589
  284    HB3  GLU  40           3HB      GLU  40  -8.030   0.588  -7.065
  285    HG2  GLU  40           2HG      GLU  40 -10.940   0.502  -6.311
  286    HG3  GLU  40           3HG      GLU  40  -9.861   1.846  -5.943
  287    H    MET  41           H        MET  41  -9.346  -0.106  -9.595
  288    HA   MET  41           HA       MET  41  -6.978  -1.416 -10.759
  289    HB2  MET  41           2HB      MET  41  -7.903  -0.787 -12.932
  290    HB3  MET  41           3HB      MET  41  -9.085  -1.692 -11.998
  291    HG2  MET  41           2HG      MET  41 -10.143   0.459 -11.355
  292    HG3  MET  41           3HG      MET  41  -9.025   1.283 -12.440
  293    HE1  MET  41           3HE      MET  41 -10.805  -2.193 -12.887
  294    HE2  MET  41           1HE      MET  41 -12.236  -1.731 -13.810
  295    HE3  MET  41           2HE      MET  41 -12.047  -1.184 -12.143
  296    H    CYS  42           H        CYS  42  -7.895   1.381  -9.272
  297    HA   CYS  42           HA       CYS  42  -5.710   2.872 -10.550
  298    HB2  CYS  42           2HB      CYS  42  -8.340   4.005  -9.570
  299    HB3  CYS  42           3HB      CYS  42  -6.989   4.953 -10.184
  300    HG   CYS  42           HG       CYS  42  -9.300   4.530 -11.989
  301    H    CYS  43           H        CYS  43  -4.316   3.886  -9.204
  302    HA   CYS  43           HA       CYS  43  -4.536   3.242  -6.358
  303    HB2  CYS  43           2HB      CYS  43  -2.448   2.626  -7.409
  304    HB3  CYS  43           3HB      CYS  43  -2.250   4.244  -8.073
  305    HA   PRO  44           HA       PRO  44  -6.147   7.399  -5.843
  306    HB2  PRO  44           2HB      PRO  44  -5.831   6.884  -2.980
  307    HB3  PRO  44           3HB      PRO  44  -7.298   7.212  -3.901
  308    HG2  PRO  44           2HG      PRO  44  -6.660   4.778  -2.852
  309    HG3  PRO  44           3HG      PRO  44  -7.715   5.002  -4.255
  310    HD2  PRO  44           2HD      PRO  44  -4.923   4.039  -4.116
  311    HD3  PRO  44           3HD      PRO  44  -6.177   3.702  -5.324
  312    H    ILE  45           H        ILE  45  -3.372   6.080  -4.143
  313    HA   ILE  45           HA       ILE  45  -2.401   8.513  -3.096
  314    HB   ILE  45           HB       ILE  45  -0.770   6.055  -3.764
  315   HG12  ILE  45          2HG1      ILE  45  -2.267   6.706  -1.213
  316   HG13  ILE  45          3HG1      ILE  45  -2.763   5.501  -2.397
  317   HG21  ILE  45          1HG2      ILE  45   0.578   8.008  -3.227
  318   HG22  ILE  45          2HG2      ILE  45   0.674   6.817  -1.930
  319   HG23  ILE  45          3HG2      ILE  45  -0.337   8.249  -1.738
  320   HD11  ILE  45          3HD1      ILE  45  -0.743   4.220  -1.948
  321   HD12  ILE  45          1HD1      ILE  45  -1.675   4.481  -0.475
  322   HD13  ILE  45          2HD1      ILE  45  -0.223   5.435  -0.782
  323    H    CYS  46           H        CYS  46  -2.287   7.110  -6.230
  324    HA   CYS  46           HA       CYS  46  -0.158   8.960  -7.084
  325    HB2  CYS  46           2HB      CYS  46  -1.202   6.443  -8.402
  326    HB3  CYS  46           3HB      CYS  46   0.005   7.511  -9.107
  327    H    CYS  47           H        CYS  47  -3.503   8.379  -7.231
  328    HA   CYS  47           HA       CYS  47  -5.237   9.072  -8.523
  329    HB2  CYS  47           2HB      CYS  47  -3.306  11.234  -9.397
  330    HB3  CYS  47           3HB      CYS  47  -5.054  11.264  -9.612
  331    HG   CYS  47           HG       CYS  47  -3.225  11.768  -6.807
  332    H    SER  48           H        SER  48  -3.356   7.134  -9.497
  333    HA   SER  48           HA       SER  48  -3.848   7.340 -12.366
  334    HB2  SER  48           2HB      SER  48  -1.514   8.180 -11.858
  335    HB3  SER  48           3HB      SER  48  -1.141   6.564 -11.258
  336    HG   SER  48           HG       SER  48  -1.529   7.465 -13.865
  337    H    GLU  49           H        GLU  49  -3.678   5.256 -13.435
  338    HA   GLU  49           HA       GLU  49  -4.904   3.247 -11.790
  339    HB2  GLU  49           2HB      GLU  49  -5.045   1.991 -13.968
  340    HB3  GLU  49           3HB      GLU  49  -5.831   3.565 -13.956
  341    HG2  GLU  49           2HG      GLU  49  -3.930   4.543 -15.106
  342    HG3  GLU  49           3HG      GLU  49  -3.104   2.987 -15.087
  343    H    TYR  50           H        TYR  50  -4.233   0.875 -12.459
  344    HA   TYR  50           HA       TYR  50  -1.433   0.581 -11.711
  345    HB2  TYR  50           2HB      TYR  50  -3.759  -1.340 -11.830
  346    HB3  TYR  50           3HB      TYR  50  -2.106  -1.886 -11.560
  347    HD1  TYR  50           HD2      TYR  50  -4.892   0.061 -10.140
  348    HD2  TYR  50           HD1      TYR  50  -1.009  -1.530  -9.460
  349    HE1  TYR  50           HE2      TYR  50  -5.113   0.567  -7.745
  350    HE2  TYR  50           HE1      TYR  50  -1.221  -1.032  -7.063
  351    HH   TYR  50           HH       TYR  50  -4.120  -0.235  -5.580
  352    H    VAL  51           H        VAL  51   0.008   0.509 -13.263
  353    HA   VAL  51           HA       VAL  51  -0.676  -0.853 -15.776
  354    HB   VAL  51           HB       VAL  51   0.915   0.644 -16.929
  355   HG11  VAL  51          1HG1      VAL  51  -0.510   2.633 -16.936
  356   HG12  VAL  51          2HG1      VAL  51  -1.284   2.084 -15.449
  357   HG13  VAL  51          3HG1      VAL  51  -1.472   1.154 -16.935
  358   HG21  VAL  51          3HG2      VAL  51   1.695   2.688 -15.809
  359   HG22  VAL  51          1HG2      VAL  51   2.335   1.235 -15.039
  360   HG23  VAL  51          2HG2      VAL  51   1.001   2.112 -14.292
  361    H    LYS  52           H        LYS  52   1.388  -1.478 -16.986
  362    HA   LYS  52           HA       LYS  52   2.747  -3.339 -15.295
  363    HB2  LYS  52           2HB      LYS  52   2.148  -4.050 -17.489
  364    HB3  LYS  52           3HB      LYS  52   2.944  -2.670 -18.229
  365    HG2  LYS  52           2HG      LYS  52   5.091  -3.555 -17.788
  366    HG3  LYS  52           3HG      LYS  52   4.441  -4.780 -16.697
  367    HD2  LYS  52           2HD      LYS  52   5.074  -5.674 -18.927
  368    HD3  LYS  52           3HD      LYS  52   3.376  -5.925 -18.523
  369    HE2  LYS  52           2HE      LYS  52   3.476  -5.232 -20.799
  370    HE3  LYS  52           3HE      LYS  52   2.842  -3.880 -19.864
  371    HZ1  LYS  52           3HZ      LYS  52   5.043  -2.867 -19.913
  372    HZ2  LYS  52           1HZ      LYS  52   4.469  -3.145 -21.483
  373    HZ3  LYS  52           2HZ      LYS  52   5.643  -4.168 -20.819
  374    H    GLY  53           H        GLY  53   4.375  -2.794 -14.032
  375    HA2  GLY  53           2HA      GLY  53   6.865  -2.197 -14.561
  376    HA3  GLY  53           3HA      GLY  53   6.159  -0.617 -14.852
  377    H    ASP  54           H        ASP  54   4.206  -0.768 -12.736
  378    HA   ASP  54           HA       ASP  54   5.985  -0.085 -10.538
  379    HB2  ASP  54           2HB      ASP  54   3.876   1.252 -11.330
  380    HB3  ASP  54           3HB      ASP  54   2.989   0.076 -10.376
  381    H    VAL  55           H        VAL  55   5.425  -0.822  -8.316
  382    HA   VAL  55           HA       VAL  55   4.755  -3.688  -8.384
  383    HB   VAL  55           HB       VAL  55   6.276  -2.152  -6.266
  384   HG11  VAL  55          1HG1      VAL  55   5.855  -5.117  -6.623
  385   HG12  VAL  55          2HG1      VAL  55   5.109  -4.107  -5.385
  386   HG13  VAL  55          3HG1      VAL  55   6.856  -4.355  -5.386
  387   HG21  VAL  55          3HG2      VAL  55   8.259  -3.332  -7.124
  388   HG22  VAL  55          1HG2      VAL  55   7.552  -2.251  -8.327
  389   HG23  VAL  55          2HG2      VAL  55   7.282  -3.990  -8.436
  390    H    ALA  56           H        ALA  56   2.973  -4.398  -7.368
  391    HA   ALA  56           HA       ALA  56   1.453  -2.486  -5.741
  392    HB1  ALA  56           3HB      ALA  56   0.277  -3.454  -7.651
  393    HB2  ALA  56           1HB      ALA  56  -0.468  -3.936  -6.128
  394    HB3  ALA  56           2HB      ALA  56   0.556  -5.071  -7.007
  395    H    THR  57           H        THR  57   0.290  -3.358  -3.874
  396    HA   THR  57           HA       THR  57   1.410  -5.741  -2.645
  397    HB   THR  57           HB       THR  57   2.846  -3.778  -1.948
  398    HG1  THR  57           HG1      THR  57   2.808  -5.548  -0.607
  399   HG21  THR  57          3HG2      THR  57   1.106  -2.068  -1.818
  400   HG22  THR  57          1HG2      THR  57   1.924  -2.242  -0.267
  401   HG23  THR  57          2HG2      THR  57   0.324  -2.946  -0.502
  402    H    GLU  58           H        GLU  58   0.226  -6.086  -0.472
  403    HA   GLU  58           HA       GLU  58  -2.587  -5.285  -0.792
  404    HB2  GLU  58           2HB      GLU  58  -2.274  -7.629  -1.468
  405    HB3  GLU  58           3HB      GLU  58  -1.530  -7.981   0.086
  406    HG2  GLU  58           2HG      GLU  58  -3.717  -7.221   1.135
  407    HG3  GLU  58           3HG      GLU  58  -4.394  -7.293  -0.490
  408    H    LEU  59           H        LEU  59  -3.273  -4.153   0.906
  409    HA   LEU  59           HA       LEU  59  -2.045  -4.518   3.512
  410    HB2  LEU  59           2HB      LEU  59  -4.366  -2.791   2.623
  411    HB3  LEU  59           3HB      LEU  59  -3.718  -2.820   4.250
  412    HG   LEU  59           HG       LEU  59  -2.275  -1.888   1.766
  413   HD11  LEU  59          1HD1      LEU  59  -2.316   0.293   2.866
  414   HD12  LEU  59          2HD1      LEU  59  -3.249  -0.395   4.197
  415   HD13  LEU  59          3HD1      LEU  59  -3.945  -0.317   2.578
  416   HD21  LEU  59          3HD2      LEU  59  -1.298  -1.966   4.620
  417   HD22  LEU  59          1HD2      LEU  59  -0.437  -1.289   3.238
  418   HD23  LEU  59          2HD2      LEU  59  -0.751  -3.023   3.320
  419    HA   PRO  60           HA       PRO  60  -4.671  -7.814   4.696
  420    HB2  PRO  60           2HB      PRO  60  -4.646  -7.508   7.402
  421    HB3  PRO  60           3HB      PRO  60  -3.275  -8.128   6.475
  422    HG2  PRO  60           2HG      PRO  60  -3.762  -5.366   7.522
  423    HG3  PRO  60           3HG      PRO  60  -2.270  -6.324   7.541
  424    HD2  PRO  60           2HD      PRO  60  -2.702  -4.376   5.731
  425    HD3  PRO  60           3HD      PRO  60  -1.784  -5.843   5.338
  426    H    CYS  61           H        CYS  61  -6.093  -5.331   4.016
  427    HA   CYS  61           HA       CYS  61  -8.558  -5.981   5.441
  428    HB2  CYS  61           2HB      CYS  61  -9.161  -3.613   5.656
  429    HB3  CYS  61           3HB      CYS  61  -7.678  -3.961   6.535
  430    H    HIS  62           H        HIS  62  -7.345  -6.580   2.835
  431    HA   HIS  62           HA       HIS  62  -8.028  -6.925   0.704
  432    HB2  HIS  62           2HB      HIS  62 -10.656  -5.935   1.808
  433    HB3  HIS  62           3HB      HIS  62 -10.465  -6.555   0.172
  434    HD1  HIS  62           HD1      HIS  62 -12.274  -7.855   2.422
  435    HD2  HIS  62           HD2      HIS  62  -8.471  -9.114   1.294
  436    HE1  HIS  62           HE1      HIS  62 -12.123 -10.277   3.103
  437    HE2  HIS  62           HE2      HIS  62  -9.762 -10.967   2.553
  438    H    HIS  63           H        HIS  63  -6.757  -4.441   1.353
  439    HA   HIS  63           HA       HIS  63  -7.800  -2.859  -0.896
  440    HB2  HIS  63           2HB      HIS  63  -6.946  -1.928   1.813
  441    HB3  HIS  63           3HB      HIS  63  -6.636  -0.889   0.427
  442    HD2  HIS  63           HD2      HIS  63  -9.545  -1.452  -1.096
  443    HE1  HIS  63           HE1      HIS  63 -11.146   0.265   2.434
  444    HE2  HIS  63           HE2      HIS  63 -11.642  -0.504   0.091
  445    H    TYR  64           H        TYR  64  -6.428  -2.719  -2.502
  446    HA   TYR  64           HA       TYR  64  -3.629  -3.437  -2.028
  447    HB2  TYR  64           2HB      TYR  64  -5.323  -3.483  -4.526
  448    HB3  TYR  64           3HB      TYR  64  -3.588  -3.773  -4.530
  449    HD1  TYR  64           HD1      TYR  64  -6.792  -5.054  -3.141
  450    HD2  TYR  64           HD2      TYR  64  -2.738  -5.903  -4.099
  451    HE1  TYR  64           HE1      TYR  64  -7.191  -7.436  -2.690
  452    HE2  TYR  64           HE2      TYR  64  -3.126  -8.287  -3.653
  453    HH   TYR  64           HH       TYR  64  -4.798  -9.618  -2.169
  454    H    PHE  65           H        PHE  65  -1.998  -2.133  -2.517
  455    HA   PHE  65           HA       PHE  65  -2.452   0.317  -4.046
  456    HB2  PHE  65           2HB      PHE  65  -1.126   0.245  -1.315
  457    HB3  PHE  65           3HB      PHE  65  -1.157   1.641  -2.387
  458    HD1  PHE  65           HD2      PHE  65  -3.349   2.727  -2.908
  459    HD2  PHE  65           HD1      PHE  65  -2.930  -0.245   0.109
  460    HE1  PHE  65           HE2      PHE  65  -5.485   3.439  -1.915
  461    HE2  PHE  65           HE1      PHE  65  -5.065   0.461   1.105
  462    HZ   PHE  65           HZ       PHE  65  -6.345   2.304   0.095
  463    H    HIS  66           H        HIS  66  -0.133   1.371  -4.380
  464    HA   HIS  66           HA       HIS  66   1.634  -0.764  -5.248
  465    HB2  HIS  66           2HB      HIS  66   1.989   2.235  -5.374
  466    HB3  HIS  66           3HB      HIS  66   3.123   1.067  -6.033
  467    HD2  HIS  66           HD2      HIS  66   1.567  -0.686  -8.031
  468    HE1  HIS  66           HE1      HIS  66  -0.370   2.837  -9.404
  469    HE2  HIS  66           HE2      HIS  66   0.394   0.517  -9.998
  470    H    LYS  67           H        LYS  67   3.399  -1.456  -4.179
  471    HA   LYS  67           HA       LYS  67   3.725  -0.927  -1.468
  472    HB2  LYS  67           2HB      LYS  67   4.573  -2.971  -2.566
  473    HB3  LYS  67           3HB      LYS  67   5.821  -2.020  -3.357
  474    HG2  LYS  67           2HG      LYS  67   6.854  -1.508  -1.253
  475    HG3  LYS  67           3HG      LYS  67   5.532  -2.272  -0.369
  476    HD2  LYS  67           2HD      LYS  67   6.133  -4.434  -1.361
  477    HD3  LYS  67           3HD      LYS  67   7.462  -3.664  -2.228
  478    HE2  LYS  67           2HE      LYS  67   8.553  -3.098  -0.157
  479    HE3  LYS  67           3HE      LYS  67   7.175  -3.684   0.775
  480    HZ1  LYS  67           3HZ      LYS  67   7.615  -5.910  -0.029
  481    HZ2  LYS  67           1HZ      LYS  67   8.982  -5.289   0.746
  482    HZ3  LYS  67           2HZ      LYS  67   8.929  -5.365  -0.949
  483    HA   PRO  68           HA       PRO  68   7.536   1.998  -2.801
  484    HB2  PRO  68           2HB      PRO  68   6.128   3.042  -5.224
  485    HB3  PRO  68           3HB      PRO  68   7.861   2.886  -4.911
  486    HG2  PRO  68           2HG      PRO  68   6.636   1.141  -6.481
  487    HG3  PRO  68           3HG      PRO  68   7.857   0.592  -5.316
  488    HD2  PRO  68           2HD      PRO  68   4.883   0.374  -5.190
  489    HD3  PRO  68           3HD      PRO  68   6.125  -0.762  -4.628
  490    H    CYS  69           H        CYS  69   4.222   2.988  -3.814
  491    HA   CYS  69           HA       CYS  69   4.642   5.580  -2.641
  492    HB2  CYS  69           2HB      CYS  69   2.313   6.063  -3.376
  493    HB3  CYS  69           3HB      CYS  69   3.380   5.542  -4.670
  494    H    VAL  70           H        VAL  70   2.970   2.628  -1.704
  495    HA   VAL  70           HA       VAL  70   1.590   3.884   0.474
  496    HB   VAL  70           HB       VAL  70   0.880   1.700  -0.612
  497   HG11  VAL  70          1HG1      VAL  70   1.816  -0.368   0.303
  498   HG12  VAL  70          2HG1      VAL  70   3.046   0.571   1.151
  499   HG13  VAL  70          3HG1      VAL  70   3.012   0.548  -0.612
  500   HG21  VAL  70          3HG2      VAL  70  -0.166   2.520   1.407
  501   HG22  VAL  70          1HG2      VAL  70   1.116   1.818   2.391
  502   HG23  VAL  70          2HG2      VAL  70   0.017   0.767   1.498
  503    H    SER  71           H        SER  71   4.701   2.388  -0.003
  504    HA   SER  71           HA       SER  71   5.561   2.130   2.637
  505    HB2  SER  71           2HB      SER  71   6.820   1.332   0.631
  506    HB3  SER  71           3HB      SER  71   7.216   3.005   0.246
  507    HG   SER  71           HG       SER  71   8.656   1.462   1.669
  508    H    ILE  72           H        ILE  72   5.748   4.888   0.425
  509    HA   ILE  72           HA       ILE  72   6.974   6.721   2.147
  510    HB   ILE  72           HB       ILE  72   4.969   7.319  -0.039
  511   HG12  ILE  72          2HG1      ILE  72   7.984   7.136  -0.222
  512   HG13  ILE  72          3HG1      ILE  72   6.874   5.884  -0.774
  513   HG21  ILE  72          1HG2      ILE  72   6.141   9.477  -0.192
  514   HG22  ILE  72          2HG2      ILE  72   7.123   9.027   1.202
  515   HG23  ILE  72          3HG2      ILE  72   5.380   9.237   1.381
  516   HD11  ILE  72          3HD1      ILE  72   7.679   7.260  -2.614
  517   HD12  ILE  72          1HD1      ILE  72   7.018   8.698  -1.837
  518   HD13  ILE  72          2HD1      ILE  72   5.936   7.426  -2.406
  519    H    TRP  73           H        TRP  73   3.595   5.897   1.641
  520    HA   TRP  73           HA       TRP  73   2.488   7.971   3.213
  521    HB2  TRP  73           2HB      TRP  73   1.148   6.855   1.550
  522    HB3  TRP  73           3HB      TRP  73   1.389   5.298   2.329
  523    HD1  TRP  73           HD1      TRP  73  -0.215   4.657   4.283
  524    HE1  TRP  73           HE1      TRP  73  -2.314   5.741   5.292
  525    HE3  TRP  73           HE3      TRP  73   0.108   9.249   2.065
  526    HZ2  TRP  73           HZ2      TRP  73  -3.658   8.225   5.166
  527    HZ3  TRP  73           HZ3      TRP  73  -1.626  10.923   2.561
  528    HH2  TRP  73           HH2      TRP  73  -3.471  10.418   4.079
  529    H    LEU  74           H        LEU  74   3.209   4.563   3.930
  530    HA   LEU  74           HA       LEU  74   2.061   4.599   6.517
  531    HB2  LEU  74           2HB      LEU  74   4.098   2.733   5.309
  532    HB3  LEU  74           3HB      LEU  74   3.270   2.452   6.829
  533    HG   LEU  74           HG       LEU  74   1.921   2.673   4.137
  534   HD11  LEU  74          1HD1      LEU  74   3.270   0.657   4.304
  535   HD12  LEU  74          2HD1      LEU  74   1.550   0.271   4.357
  536   HD13  LEU  74          3HD1      LEU  74   2.502   0.257   5.841
  537   HD21  LEU  74          3HD2      LEU  74   0.830   1.908   6.843
  538   HD22  LEU  74          1HD2      LEU  74  -0.058   1.862   5.319
  539   HD23  LEU  74          2HD2      LEU  74   0.494   3.405   5.972
  540    H    GLN  75           H        GLN  75   5.112   5.679   5.344
  541    HA   GLN  75           HA       GLN  75   6.703   5.399   7.630
  542    HB2  GLN  75           2HB      GLN  75   6.753   7.517   5.477
  543    HB3  GLN  75           3HB      GLN  75   7.990   7.351   6.716
  544    HG2  GLN  75           2HG      GLN  75   8.534   5.132   5.907
  545    HG3  GLN  75           3HG      GLN  75   7.254   5.245   4.697
  546   HE21  GLN  75          1HE2      GLN  75   8.620   5.022   2.965
  547   HE22  GLN  75          2HE2      GLN  75   9.751   6.241   2.485
  548    H    LYS  76           H        LYS  76   4.404   7.946   6.733
  549    HA   LYS  76           HA       LYS  76   4.967   9.276   9.284
  550    HB2  LYS  76           2HB      LYS  76   3.416  10.233   6.876
  551    HB3  LYS  76           3HB      LYS  76   3.540  11.130   8.383
  552    HG2  LYS  76           2HG      LYS  76   5.195  12.134   7.182
  553    HG3  LYS  76           3HG      LYS  76   6.121  10.847   7.950
  554    HD2  LYS  76           2HD      LYS  76   6.736  10.908   5.644
  555    HD3  LYS  76           3HD      LYS  76   5.750   9.466   5.896
  556    HE2  LYS  76           2HE      LYS  76   3.791  10.665   5.045
  557    HE3  LYS  76           3HE      LYS  76   4.787  12.096   4.781
  558    HZ1  LYS  76           3HZ      LYS  76   4.498  10.876   2.734
  559    HZ2  LYS  76           1HZ      LYS  76   5.120   9.466   3.446
  560    HZ3  LYS  76           2HZ      LYS  76   6.128  10.810   3.215
  561    H    SER  77           H        SER  77   2.518   7.464   7.622
  562    HA   SER  77           HA       SER  77   0.939   7.454  10.074
  563    HB2  SER  77           2HB      SER  77  -1.157   7.727   8.638
  564    HB3  SER  77           3HB      SER  77  -0.185   9.177   8.888
  565    HG   SER  77           HG       SER  77   0.006   7.479   6.615
  566    H    GLY  78           H        GLY  78   0.883   5.371  10.599
  567    HA2  GLY  78           2HA      GLY  78   0.987   3.299   8.573
  568    HA3  GLY  78           3HA      GLY  78   0.957   3.060  10.316
  569    H    THR  79           H        THR  79  -1.102   4.248   7.692
  570    HA   THR  79           HA       THR  79  -3.386   2.831   8.850
  571    HB   THR  79           HB       THR  79  -3.653   5.724   8.035
  572    HG1  THR  79           HG1      THR  79  -2.734   4.627  10.456
  573   HG21  THR  79          3HG2      THR  79  -5.289   3.947   9.849
  574   HG22  THR  79          1HG2      THR  79  -5.704   4.386   8.191
  575   HG23  THR  79          2HG2      THR  79  -5.651   5.626   9.444
  576    H    CYS  80           H        CYS  80  -4.886   2.203   7.319
  577    HA   CYS  80           HA       CYS  80  -4.204   2.376   4.541
  578    HB2  CYS  80           2HB      CYS  80  -5.450   0.467   5.622
  579    HB3  CYS  80           3HB      CYS  80  -6.833   1.531   5.783
  580    HA   PRO  81           HA       PRO  81  -5.644   6.580   4.272
  581    HB2  PRO  81           2HB      PRO  81  -5.776   6.633   1.489
  582    HB3  PRO  81           3HB      PRO  81  -4.354   7.013   2.464
  583    HG2  PRO  81           2HG      PRO  81  -5.076   4.478   1.069
  584    HG3  PRO  81           3HG      PRO  81  -3.487   5.241   1.265
  585    HD2  PRO  81           2HD      PRO  81  -4.202   3.118   2.729
  586    HD3  PRO  81           3HD      PRO  81  -3.234   4.435   3.428
  587    H    VAL  82           H        VAL  82  -7.250   4.002   2.474
  588    HA   VAL  82           HA       VAL  82  -9.519   5.594   1.781
  589    HB   VAL  82           HB       VAL  82  -9.227   2.587   1.724
  590   HG11  VAL  82          1HG1      VAL  82 -11.066   2.659   0.103
  591   HG12  VAL  82          2HG1      VAL  82 -11.213   4.399   0.353
  592   HG13  VAL  82          3HG1      VAL  82 -11.556   3.284   1.678
  593   HG21  VAL  82          3HG2      VAL  82  -7.537   3.687   0.360
  594   HG22  VAL  82          1HG2      VAL  82  -8.787   4.633  -0.448
  595   HG23  VAL  82          2HG2      VAL  82  -8.735   2.881  -0.656
  596    H    CYS  83           H        CYS  83  -9.247   2.753   3.954
  597    HA   CYS  83           HA       CYS  83 -11.887   3.370   5.005
  598    HB2  CYS  83           2HB      CYS  83 -11.696   1.179   6.143
  599    HB3  CYS  83           3HB      CYS  83 -11.437   1.056   4.407
  600    H    ARG  84           H        ARG  84  -8.643   3.870   5.821
  601    HA   ARG  84           HA       ARG  84  -7.538   4.649   7.608
  602    HB2  ARG  84           2HB      ARG  84 -10.280   5.492   8.545
  603    HB3  ARG  84           3HB      ARG  84  -8.779   5.943   9.343
  604    HG2  ARG  84           2HG      ARG  84  -8.071   6.937   7.118
  605    HG3  ARG  84           3HG      ARG  84  -9.749   6.735   6.616
  606    HD2  ARG  84           2HD      ARG  84  -9.439   8.975   7.420
  607    HD3  ARG  84           3HD      ARG  84 -10.446   8.092   8.567
  608    HE   ARG  84           HE       ARG  84  -8.329   7.817   9.892
  609   HH11  ARG  84          1HH1      ARG  84  -8.795  10.512   7.713
  610   HH12  ARG  84          2HH1      ARG  84  -7.695  11.558   8.563
  611   HH21  ARG  84          1HH2      ARG  84  -6.886   9.194  11.030
  612   HH22  ARG  84          2HH2      ARG  84  -6.597  10.807  10.442
  613    H    CYS  85           H        CYS  85  -7.191   2.342   7.832
  614    HA   CYS  85           HA       CYS  85  -7.915   1.504  10.550
  615    HB2  CYS  85           2HB      CYS  85  -9.072   0.092   8.850
  616    HB3  CYS  85           3HB      CYS  85  -7.507  -0.317   8.157
  617    HG   CYS  85           HG       CYS  85  -8.829  -2.341   9.856
  618    H    MET  86           H        MET  86  -6.179   0.617  11.731
  619    HA   MET  86           HA       MET  86  -3.672   1.754  11.035
  620    HB2  MET  86           2HB      MET  86  -4.468   1.510  13.373
  621    HB3  MET  86           3HB      MET  86  -4.287  -0.233  13.233
  622    HG2  MET  86           2HG      MET  86  -1.892   0.024  12.902
  623    HG3  MET  86           3HG      MET  86  -2.057   1.775  12.981
  624    HE1  MET  86           3HE      MET  86  -2.119  -1.594  14.946
  625    HE2  MET  86           1HE      MET  86  -3.783  -1.050  15.135
  626    HE3  MET  86           2HE      MET  86  -2.707  -1.097  16.532
  627    H    PHE  87           H        PHE  87  -1.736   0.788  10.522
  628    HA   PHE  87           HA       PHE  87  -1.787  -2.077   9.865
  629    HB2  PHE  87           2HB      PHE  87  -1.844  -0.825   7.773
  630    HB3  PHE  87           3HB      PHE  87  -0.479   0.158   8.292
  631    HD1  PHE  87           HD1      PHE  87  -1.478  -3.296   7.399
  632    HD2  PHE  87           HD2      PHE  87   1.719  -0.535   7.906
  633    HE1  PHE  87           HE1      PHE  87   0.076  -4.914   6.388
  634    HE2  PHE  87           HE2      PHE  87   3.278  -2.147   6.897
  635    HZ   PHE  87           HZ       PHE  87   2.457  -4.339   6.137
  636    HA   PRO  88           HA       PRO  88  -0.661  -3.904  10.066
  637    HB2  PRO  88           2HB      PRO  88  -0.123  -4.896  12.792
  638    HB3  PRO  88           3HB      PRO  88   0.294  -5.614  11.233
  639    HG2  PRO  88           2HG      PRO  88   2.160  -4.531  12.817
  640    HG3  PRO  88           3HG      PRO  88   2.253  -4.405  11.050
  641    HD2  PRO  88           2HD      PRO  88   1.349  -2.367  13.054
  642    HD3  PRO  88           3HD      PRO  88   2.371  -2.154  11.616
  643    HA   PRO  89           HA       PRO  89  -4.698  -3.257  11.599
  644    HB2  PRO  89           2HB      PRO  89  -5.641  -5.841  11.788
  645    HB3  PRO  89           3HB      PRO  89  -5.534  -4.919  10.286
  646    HG2  PRO  89           2HG      PRO  89  -3.656  -6.964  11.393
  647    HG3  PRO  89           3HG      PRO  89  -4.209  -6.737   9.722
  648    HD2  PRO  89           2HD      PRO  89  -1.794  -5.899  10.511
  649    HD3  PRO  89           3HD      PRO  89  -2.760  -4.962   9.352
  650    HA   PRO  90           HA       PRO  90  -4.288  -3.543  15.991
  651    HB2  PRO  90           2HB      PRO  90  -6.741  -2.572  16.653
  652    HB3  PRO  90           3HB      PRO  90  -5.413  -1.548  16.092
  653    HG2  PRO  90           2HG      PRO  90  -7.758  -2.616  14.574
  654    HG3  PRO  90           3HG      PRO  90  -7.019  -1.004  14.509
  655    HD2  PRO  90           2HD      PRO  90  -6.549  -2.911  12.639
  656    HD3  PRO  90           3HD      PRO  90  -5.339  -1.695  13.095
  657    H    LEU  91           H        LEU  91  -4.865  -4.881  17.650
  658    HA   LEU  91           HA       LEU  91  -6.658  -7.086  16.979
  659    HB2  LEU  91           2HB      LEU  91  -4.781  -6.734  19.327
  660    HB3  LEU  91           3HB      LEU  91  -5.701  -8.182  18.963
  661    HG   LEU  91           HG       LEU  91  -3.510  -7.031  17.229
  662   HD11  LEU  91          1HD1      LEU  91  -2.212  -8.966  17.943
  663   HD12  LEU  91          2HD1      LEU  91  -3.522  -9.459  19.016
  664   HD13  LEU  91          3HD1      LEU  91  -2.651  -7.955  19.320
  665   HD21  LEU  91          3HD2      LEU  91  -3.705  -9.156  16.007
  666   HD22  LEU  91          1HD2      LEU  91  -5.181  -8.194  15.913
  667   HD23  LEU  91          2HD2      LEU  91  -5.099  -9.582  16.999
  Start of MODEL   17
    1    H1   MET   1           1H       MET   1 -27.690  28.909  -4.342
    2    H2   MET   1           2H       MET   1 -28.034  27.248  -4.390
    3    H3   MET   1           3H       MET   1 -28.752  28.292  -5.517
    4    HA   MET   1           HA       MET   1 -26.999  27.088  -6.571
    5    HB2  MET   1           2HB      MET   1 -27.333  29.368  -7.322
    6    HB3  MET   1           3HB      MET   1 -26.340  29.988  -6.012
    7    HG2  MET   1           2HG      MET   1 -25.147  30.017  -8.131
    8    HG3  MET   1           3HG      MET   1 -24.375  28.940  -6.968
    9    HE1  MET   1           3HE      MET   1 -22.959  27.820  -8.921
   10    HE2  MET   1           1HE      MET   1 -23.718  28.913 -10.078
   11    HE3  MET   1           2HE      MET   1 -23.676  27.180 -10.399
   12    H    GLY   2           H        GLY   2 -25.721  25.579  -5.669
   13    HA2  GLY   2           2HA      GLY   2 -23.236  25.416  -5.293
   14    HA3  GLY   2           3HA      GLY   2 -23.497  26.547  -3.973
   15    H    HIS   3           H        HIS   3 -22.539  23.657  -4.203
   16    HA   HIS   3           HA       HIS   3 -24.453  22.407  -2.355
   17    HB2  HIS   3           2HB      HIS   3 -22.145  21.241  -3.927
   18    HB3  HIS   3           3HB      HIS   3 -23.115  20.328  -2.777
   19    HD1  HIS   3           HD1      HIS   3 -23.266  21.917  -6.168
   20    HD2  HIS   3           HD2      HIS   3 -25.618  19.535  -3.699
   21    HE1  HIS   3           HE1      HIS   3 -25.145  21.082  -7.619
   22    HE2  HIS   3           HE2      HIS   3 -26.459  19.509  -6.150
   23    H    HIS   4           H        HIS   4 -23.373  21.028  -0.614
   24    HA   HIS   4           HA       HIS   4 -20.797  21.947   0.314
   25    HB2  HIS   4           2HB      HIS   4 -21.521  22.835   2.443
   26    HB3  HIS   4           3HB      HIS   4 -22.341  23.718   1.162
   27    HD1  HIS   4           HD1      HIS   4 -22.982  22.142   4.304
   28    HD2  HIS   4           HD2      HIS   4 -25.111  22.596   0.761
   29    HE1  HIS   4           HE1      HIS   4 -25.389  21.728   4.904
   30    HE2  HIS   4           HE2      HIS   4 -26.662  21.964   2.738
   31    H    HIS   5           H        HIS   5 -19.869  20.539   1.799
   32    HA   HIS   5           HA       HIS   5 -21.358  18.028   2.174
   33    HB2  HIS   5           2HB      HIS   5 -18.391  18.592   2.428
   34    HB3  HIS   5           3HB      HIS   5 -19.147  17.022   2.663
   35    HD1  HIS   5           HD1      HIS   5 -20.332  16.000   0.446
   36    HD2  HIS   5           HD2      HIS   5 -17.662  19.140  -0.129
   37    HE1  HIS   5           HE1      HIS   5 -19.692  15.916  -1.987
   38    HE2  HIS   5           HE2      HIS   5 -17.926  17.694  -2.256
   39    H    HIS   6           H        HIS   6 -20.136  16.917   4.286
   40    HA   HIS   6           HA       HIS   6 -20.659  18.769   6.506
   41    HB2  HIS   6           2HB      HIS   6 -20.422  15.752   6.418
   42    HB3  HIS   6           3HB      HIS   6 -20.565  16.673   7.910
   43    HD1  HIS   6           HD1      HIS   6 -22.879  17.272   8.666
   44    HD2  HIS   6           HD2      HIS   6 -22.777  15.900   4.739
   45    HE1  HIS   6           HE1      HIS   6 -25.280  16.985   7.984
   46    HE2  HIS   6           HE2      HIS   6 -25.177  15.941   5.698
   47    H    HIS   7           H        HIS   7 -19.150  18.477   8.410
   48    HA   HIS   7           HA       HIS   7 -16.408  18.615   7.469
   49    HB2  HIS   7           2HB      HIS   7 -17.415  18.735  10.324
   50    HB3  HIS   7           3HB      HIS   7 -15.840  19.250   9.736
   51    HD1  HIS   7           HD1      HIS   7 -18.312  20.890  11.185
   52    HD2  HIS   7           HD2      HIS   7 -16.869  21.210   7.296
   53    HE1  HIS   7           HE1      HIS   7 -18.997  23.180  10.391
   54    HE2  HIS   7           HE2      HIS   7 -17.973  23.410   8.098
   55    H    HIS   8           H        HIS   8 -14.737  17.184   8.222
   56    HA   HIS   8           HA       HIS   8 -15.644  14.492   8.600
   57    HB2  HIS   8           2HB      HIS   8 -13.373  15.509   7.545
   58    HB3  HIS   8           3HB      HIS   8 -12.805  15.135   9.169
   59    HD1  HIS   8           HD1      HIS   8 -13.393  13.621   5.917
   60    HD2  HIS   8           HD2      HIS   8 -13.249  12.295   9.859
   61    HE1  HIS   8           HE1      HIS   8 -13.088  11.132   5.787
   62    HE2  HIS   8           HE2      HIS   8 -13.239  10.332   8.172
   63    H    SER   9           H        SER   9 -16.894  14.713  10.439
   64    HA   SER   9           HA       SER   9 -16.413  16.005  12.781
   65    HB2  SER   9           2HB      SER   9 -18.545  14.950  12.174
   66    HB3  SER   9           3HB      SER   9 -17.838  13.358  12.444
   67    HG   SER   9           HG       SER   9 -17.814  15.288  14.500
   68    H    HIS  10           H        HIS  10 -15.565  12.600  12.147
   69    HA   HIS  10           HA       HIS  10 -13.482  12.920  14.187
   70    HB2  HIS  10           2HB      HIS  10 -15.453  10.730  13.864
   71    HB3  HIS  10           3HB      HIS  10 -13.801  10.249  14.245
   72    HD1  HIS  10           HD1      HIS  10 -16.865  11.567  15.771
   73    HD2  HIS  10           HD2      HIS  10 -12.813  11.389  16.717
   74    HE1  HIS  10           HE1      HIS  10 -16.714  12.064  18.235
   75    HE2  HIS  10           HE2      HIS  10 -14.266  11.853  18.806
   76    H    MET  11           H        MET  11 -11.647  13.058  13.227
   77    HA   MET  11           HA       MET  11 -11.064  11.263  10.969
   78    HB2  MET  11           2HB      MET  11  -9.649  13.063  10.013
   79    HB3  MET  11           3HB      MET  11 -11.351  13.502  10.075
   80    HG2  MET  11           2HG      MET  11 -10.909  14.797  12.125
   81    HG3  MET  11           3HG      MET  11  -9.197  14.406  11.975
   82    HE1  MET  11           3HE      MET  11 -10.303  17.379  12.234
   83    HE2  MET  11           1HE      MET  11  -9.327  18.207  11.021
   84    HE3  MET  11           2HE      MET  11  -8.591  16.995  12.068
   85    H    VAL  12           H        VAL  12  -8.914  10.496  10.869
   86    HA   VAL  12           HA       VAL  12  -7.308  11.064  13.258
   87    HB   VAL  12           HB       VAL  12  -8.512   8.934  13.590
   88   HG11  VAL  12          1HG1      VAL  12  -6.977   7.982  11.179
   89   HG12  VAL  12          2HG1      VAL  12  -8.723   8.202  11.291
   90   HG13  VAL  12          3HG1      VAL  12  -7.928   6.962  12.260
   91   HG21  VAL  12          3HG2      VAL  12  -6.563   7.573  14.199
   92   HG22  VAL  12          1HG2      VAL  12  -6.370   9.261  14.671
   93   HG23  VAL  12          2HG2      VAL  12  -5.532   8.642  13.247
   94    H    ALA  13           H        ALA  13  -5.285  11.592  12.819
   95    HA   ALA  13           HA       ALA  13  -4.200  11.433  10.181
   96    HB1  ALA  13           3HB      ALA  13  -2.823  12.057  12.796
   97    HB2  ALA  13           1HB      ALA  13  -3.580  13.234  11.724
   98    HB3  ALA  13           2HB      ALA  13  -2.161  12.334  11.186
   99    H    ASN  14           H        ASN  14  -3.994   9.589  13.117
  100    HA   ASN  14           HA       ASN  14  -3.541   7.414  13.503
  101    HB2  ASN  14           2HB      ASN  14  -4.612   7.005  11.304
  102    HB3  ASN  14           3HB      ASN  14  -3.037   7.167  10.533
  103   HD21  ASN  14          1HD2      ASN  14  -5.035   5.196  12.599
  104   HD22  ASN  14          2HD2      ASN  14  -4.063   3.770  12.491
  105    HA   PRO  15           HA       PRO  15   0.818   7.527  14.286
  106    HB2  PRO  15           2HB      PRO  15   0.450   4.633  14.831
  107    HB3  PRO  15           3HB      PRO  15   1.102   5.903  15.873
  108    HG2  PRO  15           2HG      PRO  15  -1.319   4.899  16.318
  109    HG3  PRO  15           3HG      PRO  15  -1.001   6.633  16.524
  110    HD2  PRO  15           2HD      PRO  15  -2.344   5.208  14.256
  111    HD3  PRO  15           3HD      PRO  15  -2.782   6.740  15.041
  112    HA   PRO  16           HA       PRO  16   2.787   5.780  10.714
  113    HB2  PRO  16           2HB      PRO  16   5.312   5.413  11.626
  114    HB3  PRO  16           3HB      PRO  16   4.650   7.013  11.268
  115    HG2  PRO  16           2HG      PRO  16   4.942   5.629  13.905
  116    HG3  PRO  16           3HG      PRO  16   5.269   7.322  13.486
  117    HD2  PRO  16           2HD      PRO  16   2.995   6.528  14.737
  118    HD3  PRO  16           3HD      PRO  16   3.050   7.916  13.633
  119    H    ALA  17           H        ALA  17   3.111   3.813   9.827
  120    HA   ALA  17           HA       ALA  17   2.756   1.478  11.493
  121    HB1  ALA  17           3HB      ALA  17   2.699   0.246   9.384
  122    HB2  ALA  17           1HB      ALA  17   3.181   1.703   8.513
  123    HB3  ALA  17           2HB      ALA  17   1.620   1.639   9.329
  124    H    SER  18           H        SER  18   4.229  -0.222  11.706
  125    HA   SER  18           HA       SER  18   6.919   0.434  11.998
  126    HB2  SER  18           2HB      SER  18   5.710  -1.476  13.108
  127    HB3  SER  18           3HB      SER  18   5.805  -2.352  11.581
  128    HG   SER  18           HG       SER  18   7.558  -2.459  13.412
  129    H    LYS  19           H        LYS  19   8.387   0.834  10.526
  130    HA   LYS  19           HA       LYS  19   8.006   0.646   7.777
  131    HB2  LYS  19           2HB      LYS  19   9.589   2.189   8.769
  132    HB3  LYS  19           3HB      LYS  19  10.565   0.853   9.367
  133    HG2  LYS  19           2HG      LYS  19  11.005   0.187   7.027
  134    HG3  LYS  19           3HG      LYS  19  10.120   1.616   6.491
  135    HD2  LYS  19           2HD      LYS  19  12.374   2.256   6.435
  136    HD3  LYS  19           3HD      LYS  19  11.742   2.953   7.925
  137    HE2  LYS  19           2HE      LYS  19  13.179   0.311   7.844
  138    HE3  LYS  19           3HE      LYS  19  14.019   1.843   8.061
  139    HZ1  LYS  19           3HZ      LYS  19  12.386   2.169   9.995
  140    HZ2  LYS  19           1HZ      LYS  19  13.682   1.099  10.204
  141    HZ3  LYS  19           2HZ      LYS  19  12.131   0.495   9.889
  142    H    GLU  20           H        GLU  20   9.883  -1.433   9.927
  143    HA   GLU  20           HA       GLU  20  10.925  -3.209   8.089
  144    HB2  GLU  20           2HB      GLU  20   9.966  -3.810  10.892
  145    HB3  GLU  20           3HB      GLU  20  11.019  -4.846   9.942
  146    HG2  GLU  20           2HG      GLU  20  12.474  -3.727  11.359
  147    HG3  GLU  20           3HG      GLU  20  12.603  -2.837   9.846
  148    H    SER  21           H        SER  21   7.709  -3.184   9.542
  149    HA   SER  21           HA       SER  21   6.845  -5.663   8.462
  150    HB2  SER  21           2HB      SER  21   5.687  -4.641  10.348
  151    HB3  SER  21           3HB      SER  21   5.275  -3.234   9.370
  152    HG   SER  21           HG       SER  21   4.323  -5.896   9.097
  153    H    ILE  22           H        ILE  22   6.672  -2.318   7.373
  154    HA   ILE  22           HA       ILE  22   5.104  -2.687   5.069
  155    HB   ILE  22           HB       ILE  22   7.284  -0.638   5.498
  156   HG12  ILE  22          2HG1      ILE  22   4.335  -0.400   6.119
  157   HG13  ILE  22          3HG1      ILE  22   5.573  -0.729   7.328
  158   HG21  ILE  22          1HG2      ILE  22   4.858  -0.594   3.708
  159   HG22  ILE  22          2HG2      ILE  22   6.532  -0.791   3.185
  160   HG23  ILE  22          3HG2      ILE  22   6.013   0.721   3.925
  161   HD11  ILE  22          3HD1      ILE  22   6.626   1.409   6.841
  162   HD12  ILE  22          1HD1      ILE  22   4.938   1.618   7.305
  163   HD13  ILE  22          2HD1      ILE  22   5.407   1.735   5.610
  164    H    ASP  23           H        ASP  23   8.585  -2.883   5.611
  165    HA   ASP  23           HA       ASP  23   9.220  -3.280   2.845
  166    HB2  ASP  23           2HB      ASP  23  10.861  -2.300   4.357
  167    HB3  ASP  23           3HB      ASP  23  10.861  -3.761   5.340
  168    H    ALA  24           H        ALA  24   8.421  -5.338   5.535
  169    HA   ALA  24           HA       ALA  24   9.323  -7.769   4.323
  170    HB1  ALA  24           3HB      ALA  24   8.175  -8.883   6.155
  171    HB2  ALA  24           1HB      ALA  24   7.387  -7.368   6.596
  172    HB3  ALA  24           2HB      ALA  24   9.136  -7.529   6.751
  173    H    LEU  25           H        LEU  25   6.632  -5.783   3.824
  174    HA   LEU  25           HA       LEU  25   4.617  -7.615   3.182
  175    HB2  LEU  25           2HB      LEU  25   5.198  -4.867   2.085
  176    HB3  LEU  25           3HB      LEU  25   3.754  -5.776   1.686
  177    HG   LEU  25           HG       LEU  25   4.525  -4.868   4.462
  178   HD11  LEU  25          1HD1      LEU  25   2.654  -3.310   4.231
  179   HD12  LEU  25          2HD1      LEU  25   2.425  -3.831   2.561
  180   HD13  LEU  25          3HD1      LEU  25   3.908  -2.998   3.029
  181   HD21  LEU  25          3HD2      LEU  25   2.273  -5.596   5.076
  182   HD22  LEU  25          1HD2      LEU  25   3.238  -6.943   4.468
  183   HD23  LEU  25          2HD2      LEU  25   2.018  -6.194   3.437
  184    HA   PRO  26           HA       PRO  26   6.041  -9.524  -0.533
  185    HB2  PRO  26           2HB      PRO  26   3.663 -10.196  -1.655
  186    HB3  PRO  26           3HB      PRO  26   4.326 -11.032  -0.247
  187    HG2  PRO  26           2HG      PRO  26   2.253  -8.873  -0.362
  188    HG3  PRO  26           3HG      PRO  26   2.262 -10.363   0.600
  189    HD2  PRO  26           2HD      PRO  26   2.937  -7.964   1.645
  190    HD3  PRO  26           3HD      PRO  26   3.688  -9.480   2.185
  191    H    GLU  27           H        GLU  27   6.054  -9.303  -2.842
  192    HA   GLU  27           HA       GLU  27   5.186  -6.633  -3.734
  193    HB2  GLU  27           2HB      GLU  27   7.304  -8.424  -4.933
  194    HB3  GLU  27           3HB      GLU  27   6.931  -6.777  -5.419
  195    HG2  GLU  27           2HG      GLU  27   7.729  -5.926  -3.316
  196    HG3  GLU  27           3HG      GLU  27   7.988  -7.566  -2.716
  197    H    ILE  28           H        ILE  28   3.348  -6.734  -4.848
  198    HA   ILE  28           HA       ILE  28   2.895  -9.021  -6.633
  199    HB   ILE  28           HB       ILE  28   0.940  -6.857  -5.818
  200   HG12  ILE  28          2HG1      ILE  28   1.169  -9.717  -4.843
  201   HG13  ILE  28          3HG1      ILE  28   1.622  -8.291  -3.915
  202   HG21  ILE  28          1HG2      ILE  28   0.521  -9.469  -7.272
  203   HG22  ILE  28          2HG2      ILE  28   0.434  -7.858  -7.983
  204   HG23  ILE  28          3HG2      ILE  28  -0.752  -8.354  -6.776
  205   HD11  ILE  28          3HD1      ILE  28  -1.151  -8.961  -4.876
  206   HD12  ILE  28          1HD1      ILE  28  -0.697  -7.535  -3.943
  207   HD13  ILE  28          2HD1      ILE  28  -0.545  -9.140  -3.230
  208    H    LEU  29           H        LEU  29   3.941  -8.608  -8.495
  209    HA   LEU  29           HA       LEU  29   4.283  -5.983  -9.551
  210    HB2  LEU  29           2HB      LEU  29   5.864  -7.798 -10.021
  211    HB3  LEU  29           3HB      LEU  29   4.615  -8.673 -10.885
  212    HG   LEU  29           HG       LEU  29   4.521  -6.843 -12.555
  213   HD11  LEU  29          1HD1      LEU  29   6.294  -5.164 -12.592
  214   HD12  LEU  29          2HD1      LEU  29   6.885  -5.753 -11.038
  215   HD13  LEU  29          3HD1      LEU  29   5.289  -5.011 -11.150
  216   HD21  LEU  29          3HD2      LEU  29   5.900  -8.811 -12.956
  217   HD22  LEU  29          1HD2      LEU  29   7.254  -8.040 -12.131
  218   HD23  LEU  29          2HD2      LEU  29   6.644  -7.367 -13.642
  219    H    VAL  30           H        VAL  30   2.881  -4.814 -10.661
  220    HA   VAL  30           HA       VAL  30   0.315  -5.909 -11.335
  221    HB   VAL  30           HB       VAL  30   1.365  -3.164 -12.033
  222   HG11  VAL  30          1HG1      VAL  30  -1.432  -4.241 -11.692
  223   HG12  VAL  30          2HG1      VAL  30  -0.656  -3.802 -13.215
  224   HG13  VAL  30          3HG1      VAL  30  -1.016  -2.558 -12.018
  225   HG21  VAL  30          3HG2      VAL  30   1.621  -3.531  -9.636
  226   HG22  VAL  30          1HG2      VAL  30  -0.062  -4.046  -9.525
  227   HG23  VAL  30          2HG2      VAL  30   0.324  -2.380  -9.959
  228    H    THR  31           H        THR  31   0.308  -7.252 -13.045
  229    HA   THR  31           HA       THR  31   1.597  -6.351 -15.519
  230    HB   THR  31           HB       THR  31   1.237  -8.640 -16.347
  231    HG1  THR  31           HG1      THR  31   0.363 -10.211 -14.980
  232   HG21  THR  31          3HG2      THR  31   2.557  -8.535 -13.630
  233   HG22  THR  31          1HG2      THR  31   3.317  -8.155 -15.176
  234   HG23  THR  31          2HG2      THR  31   2.794  -9.803 -14.834
  235    H    GLU  32           H        GLU  32   0.272  -6.921 -17.547
  236    HA   GLU  32           HA       GLU  32  -2.222  -5.514 -17.309
  237    HB2  GLU  32           2HB      GLU  32  -1.014  -6.890 -19.712
  238    HB3  GLU  32           3HB      GLU  32  -2.299  -5.686 -19.732
  239    HG2  GLU  32           2HG      GLU  32  -0.857  -3.956 -19.157
  240    HG3  GLU  32           3HG      GLU  32   0.378  -5.062 -18.554
  241    H    ASP  33           H        ASP  33  -1.206  -8.807 -17.430
  242    HA   ASP  33           HA       ASP  33  -3.769  -9.898 -18.105
  243    HB2  ASP  33           2HB      ASP  33  -1.731 -11.200 -18.502
  244    HB3  ASP  33           3HB      ASP  33  -1.374 -11.193 -16.778
  245    H    HIS  34           H        HIS  34  -2.146  -8.869 -15.218
  246    HA   HIS  34           HA       HIS  34  -4.102 -10.066 -13.453
  247    HB2  HIS  34           2HB      HIS  34  -1.570  -9.571 -12.984
  248    HB3  HIS  34           3HB      HIS  34  -2.149  -7.953 -12.603
  249    HD1  HIS  34           HD1      HIS  34  -1.624 -11.220 -11.151
  250    HD2  HIS  34           HD2      HIS  34  -4.162  -8.000 -10.429
  251    HE1  HIS  34           HE1      HIS  34  -2.469 -11.533  -8.803
  252    HE2  HIS  34           HE2      HIS  34  -4.154  -9.691  -8.463
  253    H    GLY  35           H        GLY  35  -3.190  -6.833 -14.588
  254    HA2  GLY  35           2HA      GLY  35  -4.399  -4.902 -14.798
  255    HA3  GLY  35           3HA      GLY  35  -5.836  -5.913 -14.774
  256    H    ALA  36           H        ALA  36  -7.180  -5.678 -13.141
  257    HA   ALA  36           HA       ALA  36  -6.629  -3.811 -11.051
  258    HB1  ALA  36           3HB      ALA  36  -8.870  -4.358 -10.244
  259    HB2  ALA  36           1HB      ALA  36  -8.951  -5.715 -11.367
  260    HB3  ALA  36           2HB      ALA  36  -8.876  -4.063 -11.983
  261    H    VAL  37           H        VAL  37  -5.153  -4.367  -9.586
  262    HA   VAL  37           HA       VAL  37  -4.652  -7.025  -8.745
  263    HB   VAL  37           HB       VAL  37  -3.819  -4.480  -7.342
  264   HG11  VAL  37          1HG1      VAL  37  -3.503  -6.497  -6.008
  265   HG12  VAL  37          2HG1      VAL  37  -1.951  -5.829  -6.515
  266   HG13  VAL  37          3HG1      VAL  37  -2.610  -7.244  -7.334
  267   HG21  VAL  37          3HG2      VAL  37  -3.167  -4.379  -9.680
  268   HG22  VAL  37          1HG2      VAL  37  -2.441  -5.982  -9.566
  269   HG23  VAL  37          2HG2      VAL  37  -1.751  -4.637  -8.661
  270    H    GLY  38           H        GLY  38  -6.705  -4.470  -7.559
  271    HA2  GLY  38           2HA      GLY  38  -7.904  -6.352  -5.683
  272    HA3  GLY  38           3HA      GLY  38  -7.230  -4.881  -4.992
  273    H    GLN  39           H        GLN  39  -9.256  -4.160  -4.280
  274    HA   GLN  39           HA       GLN  39 -11.359  -3.748  -6.219
  275    HB2  GLN  39           2HB      GLN  39 -12.580  -2.703  -4.326
  276    HB3  GLN  39           3HB      GLN  39 -12.031  -4.335  -3.975
  277    HG2  GLN  39           2HG      GLN  39 -10.133  -3.406  -2.725
  278    HG3  GLN  39           3HG      GLN  39 -10.747  -1.783  -3.038
  279   HE21  GLN  39          1HE2      GLN  39 -11.199  -4.732  -1.266
  280   HE22  GLN  39          2HE2      GLN  39 -12.376  -4.119  -0.159
  281    H    GLU  40           H        GLU  40  -8.751  -1.974  -4.777
  282    HA   GLU  40           HA       GLU  40  -9.583   0.544  -5.919
  283    HB2  GLU  40           2HB      GLU  40  -6.881  -0.238  -4.799
  284    HB3  GLU  40           3HB      GLU  40  -7.441   1.394  -5.134
  285    HG2  GLU  40           2HG      GLU  40  -7.903   1.407  -2.945
  286    HG3  GLU  40           3HG      GLU  40  -9.371   0.574  -3.451
  287    H    MET  41           H        MET  41  -9.531   0.796  -8.044
  288    HA   MET  41           HA       MET  41  -7.597  -0.669  -9.657
  289    HB2  MET  41           2HB      MET  41  -8.864   0.115 -11.584
  290    HB3  MET  41           3HB      MET  41  -9.946  -0.598 -10.400
  291    HG2  MET  41           2HG      MET  41  -9.485   2.360 -10.703
  292    HG3  MET  41           3HG      MET  41 -10.797   1.476 -11.478
  293    HE1  MET  41           3HE      MET  41 -12.776   0.304 -10.168
  294    HE2  MET  41           1HE      MET  41 -12.896   0.254  -8.408
  295    HE3  MET  41           2HE      MET  41 -11.609  -0.627  -9.230
  296    H    CYS  42           H        CYS  42  -7.548   2.088  -7.966
  297    HA   CYS  42           HA       CYS  42  -5.509   3.267  -9.690
  298    HB2  CYS  42           2HB      CYS  42  -7.809   4.811  -8.472
  299    HB3  CYS  42           3HB      CYS  42  -6.406   5.542  -9.244
  300    HG   CYS  42           HG       CYS  42  -7.612   3.425 -11.384
  301    H    CYS  43           H        CYS  43  -3.938   4.445  -8.578
  302    HA   CYS  43           HA       CYS  43  -3.901   4.010  -5.670
  303    HB2  CYS  43           2HB      CYS  43  -2.030   2.988  -6.817
  304    HB3  CYS  43           3HB      CYS  43  -1.676   4.483  -7.668
  305    HA   PRO  44           HA       PRO  44  -5.156   8.357  -5.960
  306    HB2  PRO  44           2HB      PRO  44  -5.477   8.620  -3.220
  307    HB3  PRO  44           3HB      PRO  44  -6.719   8.052  -4.337
  308    HG2  PRO  44           2HG      PRO  44  -4.871   6.480  -2.595
  309    HG3  PRO  44           3HG      PRO  44  -6.587   6.204  -2.948
  310    HD2  PRO  44           2HD      PRO  44  -4.681   4.752  -4.133
  311    HD3  PRO  44           3HD      PRO  44  -6.136   5.256  -5.020
  312    H    ILE  45           H        ILE  45  -2.648   7.015  -3.941
  313    HA   ILE  45           HA       ILE  45  -1.518   9.331  -2.888
  314    HB   ILE  45           HB       ILE  45  -0.062   6.815  -3.721
  315   HG12  ILE  45          2HG1      ILE  45  -1.328   7.536  -1.065
  316   HG13  ILE  45          3HG1      ILE  45  -2.005   6.401  -2.228
  317   HG21  ILE  45          1HG2      ILE  45   1.556   7.449  -1.986
  318   HG22  ILE  45          2HG2      ILE  45   0.665   8.947  -1.714
  319   HG23  ILE  45          3HG2      ILE  45   1.456   8.661  -3.264
  320   HD11  ILE  45          3HD1      ILE  45   0.613   6.094  -0.775
  321   HD12  ILE  45          1HD1      ILE  45  -0.054   4.959  -1.948
  322   HD13  ILE  45          2HD1      ILE  45  -0.889   5.241  -0.421
  323    H    CYS  46           H        CYS  46  -0.897   7.719  -5.998
  324    HA   CYS  46           HA       CYS  46   0.767  10.020  -6.768
  325    HB2  CYS  46           2HB      CYS  46   1.695   8.544  -8.537
  326    HB3  CYS  46           3HB      CYS  46   1.994   7.939  -6.913
  327    H    CYS  47           H        CYS  47  -2.280   8.865  -7.053
  328    HA   CYS  47           HA       CYS  47  -4.059   9.291  -8.390
  329    HB2  CYS  47           2HB      CYS  47  -2.291  11.451  -9.563
  330    HB3  CYS  47           3HB      CYS  47  -4.046  11.360  -9.681
  331    HG   CYS  47           HG       CYS  47  -3.590  11.242  -6.539
  332    H    SER  48           H        SER  48  -2.354   7.240  -9.181
  333    HA   SER  48           HA       SER  48  -2.847   7.243 -12.066
  334    HB2  SER  48           2HB      SER  48  -0.302   6.279 -10.738
  335    HB3  SER  48           3HB      SER  48  -0.704   6.056 -12.441
  336    HG   SER  48           HG       SER  48  -1.003   8.638 -11.797
  337    H    GLU  49           H        GLU  49  -3.357   5.232 -12.946
  338    HA   GLU  49           HA       GLU  49  -4.586   3.441 -11.045
  339    HB2  GLU  49           2HB      GLU  49  -5.429   2.291 -13.106
  340    HB3  GLU  49           3HB      GLU  49  -5.877   3.984 -12.970
  341    HG2  GLU  49           2HG      GLU  49  -4.133   4.592 -14.546
  342    HG3  GLU  49           3HG      GLU  49  -3.631   2.905 -14.657
  343    H    TYR  50           H        TYR  50  -4.477   1.002 -12.257
  344    HA   TYR  50           HA       TYR  50  -1.704   0.249 -11.679
  345    HB2  TYR  50           2HB      TYR  50  -4.285  -1.306 -11.480
  346    HB3  TYR  50           3HB      TYR  50  -2.697  -2.049 -11.305
  347    HD1  TYR  50           HD2      TYR  50  -5.016   0.424  -9.826
  348    HD2  TYR  50           HD1      TYR  50  -1.466  -1.855  -9.285
  349    HE1  TYR  50           HE2      TYR  50  -4.974   1.064  -7.454
  350    HE2  TYR  50           HE1      TYR  50  -1.416  -1.220  -6.910
  351    HH   TYR  50           HH       TYR  50  -4.004   0.120  -5.299
  352    H    VAL  51           H        VAL  51  -0.544   0.084 -13.446
  353    HA   VAL  51           HA       VAL  51  -1.460  -1.752 -15.544
  354    HB   VAL  51           HB       VAL  51  -0.254  -0.367 -17.239
  355   HG11  VAL  51          1HG1      VAL  51  -2.526   1.030 -15.832
  356   HG12  VAL  51          2HG1      VAL  51  -2.679  -0.233 -17.054
  357   HG13  VAL  51          3HG1      VAL  51  -1.997   1.335 -17.486
  358   HG21  VAL  51          3HG2      VAL  51   1.213   0.863 -15.739
  359   HG22  VAL  51          1HG2      VAL  51  -0.177   1.677 -15.022
  360   HG23  VAL  51          2HG2      VAL  51   0.248   1.978 -16.708
  361    H    LYS  52           H        LYS  52   0.583  -2.359 -16.946
  362    HA   LYS  52           HA       LYS  52   2.392  -3.603 -15.176
  363    HB2  LYS  52           2HB      LYS  52   2.039  -4.723 -17.223
  364    HB3  LYS  52           3HB      LYS  52   2.395  -3.280 -18.167
  365    HG2  LYS  52           2HG      LYS  52   4.714  -3.425 -17.679
  366    HG3  LYS  52           3HG      LYS  52   4.444  -4.668 -16.457
  367    HD2  LYS  52           2HD      LYS  52   3.775  -5.057 -19.366
  368    HD3  LYS  52           3HD      LYS  52   5.350  -5.463 -18.680
  369    HE2  LYS  52           2HE      LYS  52   4.193  -6.937 -17.049
  370    HE3  LYS  52           3HE      LYS  52   2.675  -6.600 -17.881
  371    HZ1  LYS  52           3HZ      LYS  52   5.063  -7.867 -19.113
  372    HZ2  LYS  52           1HZ      LYS  52   3.578  -7.583 -19.880
  373    HZ3  LYS  52           2HZ      LYS  52   3.672  -8.687 -18.597
  374    H    GLY  53           H        GLY  53   4.152  -2.904 -14.245
  375    HA2  GLY  53           2HA      GLY  53   6.363  -1.777 -14.936
  376    HA3  GLY  53           3HA      GLY  53   5.329  -0.371 -15.164
  377    H    ASP  54           H        ASP  54   3.623  -0.683 -12.997
  378    HA   ASP  54           HA       ASP  54   5.379   0.157 -10.840
  379    HB2  ASP  54           2HB      ASP  54   3.087   1.223 -11.614
  380    HB3  ASP  54           3HB      ASP  54   2.399  -0.008 -10.563
  381    H    VAL  55           H        VAL  55   4.807  -0.635  -8.595
  382    HA   VAL  55           HA       VAL  55   4.292  -3.545  -8.660
  383    HB   VAL  55           HB       VAL  55   6.147  -2.088  -6.763
  384   HG11  VAL  55          1HG1      VAL  55   6.861  -4.338  -6.099
  385   HG12  VAL  55          2HG1      VAL  55   5.643  -5.033  -7.168
  386   HG13  VAL  55          3HG1      VAL  55   5.149  -4.069  -5.777
  387   HG21  VAL  55          3HG2      VAL  55   7.075  -2.099  -9.013
  388   HG22  VAL  55          1HG2      VAL  55   6.823  -3.841  -9.124
  389   HG23  VAL  55          2HG2      VAL  55   7.979  -3.190  -7.962
  390    H    ALA  56           H        ALA  56   2.765  -4.283  -7.259
  391    HA   ALA  56           HA       ALA  56   1.627  -2.313  -5.384
  392    HB1  ALA  56           3HB      ALA  56   0.089  -3.000  -7.167
  393    HB2  ALA  56           1HB      ALA  56  -0.480  -3.519  -5.579
  394    HB3  ALA  56           2HB      ALA  56   0.273  -4.682  -6.670
  395    H    THR  57           H        THR  57   0.397  -3.524  -3.552
  396    HA   THR  57           HA       THR  57   1.658  -6.002  -2.731
  397    HB   THR  57           HB       THR  57   3.135  -4.164  -1.857
  398    HG1  THR  57           HG1      THR  57   3.267  -6.000  -0.681
  399   HG21  THR  57          3HG2      THR  57   2.333  -2.833   0.042
  400   HG22  THR  57          1HG2      THR  57   0.712  -3.493  -0.182
  401   HG23  THR  57          2HG2      THR  57   1.429  -2.473  -1.429
  402    H    GLU  58           H        GLU  58   0.578  -6.851  -0.723
  403    HA   GLU  58           HA       GLU  58  -2.262  -6.097  -0.804
  404    HB2  GLU  58           2HB      GLU  58  -1.851  -8.392  -1.525
  405    HB3  GLU  58           3HB      GLU  58  -0.977  -8.724  -0.034
  406    HG2  GLU  58           2HG      GLU  58  -3.135  -8.122   1.174
  407    HG3  GLU  58           3HG      GLU  58  -3.912  -8.233  -0.404
  408    H    LEU  59           H        LEU  59  -2.878  -4.936   0.876
  409    HA   LEU  59           HA       LEU  59  -1.570  -5.181   3.448
  410    HB2  LEU  59           2HB      LEU  59  -4.015  -3.609   2.610
  411    HB3  LEU  59           3HB      LEU  59  -3.236  -3.500   4.175
  412    HG   LEU  59           HG       LEU  59  -1.919  -2.746   1.566
  413   HD11  LEU  59          1HD1      LEU  59  -3.785  -1.258   2.070
  414   HD12  LEU  59          2HD1      LEU  59  -2.240  -0.434   2.286
  415   HD13  LEU  59          3HD1      LEU  59  -3.148  -0.995   3.692
  416   HD21  LEU  59          3HD2      LEU  59  -1.098  -2.298   4.432
  417   HD22  LEU  59          1HD2      LEU  59  -0.248  -1.699   3.007
  418   HD23  LEU  59          2HD2      LEU  59  -0.354  -3.434   3.306
  419    HA   PRO  60           HA       PRO  60  -4.227  -8.453   4.937
  420    HB2  PRO  60           2HB      PRO  60  -4.097  -7.779   7.615
  421    HB3  PRO  60           3HB      PRO  60  -2.898  -8.757   6.763
  422    HG2  PRO  60           2HG      PRO  60  -2.841  -5.846   7.437
  423    HG3  PRO  60           3HG      PRO  60  -1.528  -7.038   7.488
  424    HD2  PRO  60           2HD      PRO  60  -1.735  -5.270   5.484
  425    HD3  PRO  60           3HD      PRO  60  -1.174  -6.930   5.197
  426    H    CYS  61           H        CYS  61  -4.787  -5.151   5.140
  427    HA   CYS  61           HA       CYS  61  -7.388  -5.264   6.391
  428    HB2  CYS  61           2HB      CYS  61  -5.903  -3.314   6.677
  429    HB3  CYS  61           3HB      CYS  61  -5.940  -3.028   4.942
  430    H    HIS  62           H        HIS  62  -6.550  -6.639   3.747
  431    HA   HIS  62           HA       HIS  62  -7.533  -7.270   1.806
  432    HB2  HIS  62           2HB      HIS  62  -9.962  -6.164   3.221
  433    HB3  HIS  62           3HB      HIS  62 -10.042  -7.008   1.679
  434    HD1  HIS  62           HD1      HIS  62  -9.698  -9.557   1.691
  435    HD2  HIS  62           HD2      HIS  62  -9.414  -7.796   5.452
  436    HE1  HIS  62           HE1      HIS  62  -9.727 -11.458   3.339
  437    HE2  HIS  62           HE2      HIS  62  -9.398 -10.382   5.594
  438    H    HIS  63           H        HIS  63  -6.187  -4.863   1.727
  439    HA   HIS  63           HA       HIS  63  -7.618  -3.502  -0.421
  440    HB2  HIS  63           2HB      HIS  63  -6.640  -2.243   2.114
  441    HB3  HIS  63           3HB      HIS  63  -6.572  -1.313   0.618
  442    HD2  HIS  63           HD2      HIS  63  -9.383  -1.980  -0.705
  443    HE1  HIS  63           HE1      HIS  63 -11.129  -0.862   2.977
  444    HE2  HIS  63           HE2      HIS  63 -11.554  -1.503   0.594
  445    H    TYR  64           H        TYR  64  -6.257  -2.527  -1.978
  446    HA   TYR  64           HA       TYR  64  -3.488  -3.546  -1.823
  447    HB2  TYR  64           2HB      TYR  64  -5.326  -3.508  -4.227
  448    HB3  TYR  64           3HB      TYR  64  -3.635  -3.989  -4.257
  449    HD1  TYR  64           HD1      TYR  64  -6.931  -4.883  -2.770
  450    HD2  TYR  64           HD2      TYR  64  -3.028  -6.207  -3.834
  451    HE1  TYR  64           HE1      TYR  64  -7.591  -7.200  -2.286
  452    HE2  TYR  64           HE2      TYR  64  -3.679  -8.528  -3.346
  453    HH   TYR  64           HH       TYR  64  -6.973  -9.423  -2.748
  454    H    PHE  65           H        PHE  65  -1.914  -2.167  -2.327
  455    HA   PHE  65           HA       PHE  65  -2.508   0.216  -3.900
  456    HB2  PHE  65           2HB      PHE  65  -1.283   0.256  -1.136
  457    HB3  PHE  65           3HB      PHE  65  -1.188   1.610  -2.258
  458    HD1  PHE  65           HD2      PHE  65  -3.318   2.711  -3.007
  459    HD2  PHE  65           HD1      PHE  65  -3.183  -0.090   0.193
  460    HE1  PHE  65           HE2      PHE  65  -5.492   3.532  -2.204
  461    HE2  PHE  65           HE1      PHE  65  -5.359   0.724   1.001
  462    HZ   PHE  65           HZ       PHE  65  -6.516   2.540  -0.196
  463    H    HIS  66           H        HIS  66  -0.525   1.303  -4.642
  464    HA   HIS  66           HA       HIS  66   1.480  -0.479  -5.532
  465    HB2  HIS  66           2HB      HIS  66   1.396   2.537  -5.394
  466    HB3  HIS  66           3HB      HIS  66   2.782   1.665  -6.033
  467    HD2  HIS  66           HD2      HIS  66   0.920  -0.505  -7.817
  468    HE1  HIS  66           HE1      HIS  66  -0.232   3.049  -9.832
  469    HE2  HIS  66           HE2      HIS  66   0.083   0.563 -10.020
  470    H    LYS  67           H        LYS  67   3.334  -1.142  -4.612
  471    HA   LYS  67           HA       LYS  67   3.632  -0.896  -1.831
  472    HB2  LYS  67           2HB      LYS  67   4.471  -2.768  -3.369
  473    HB3  LYS  67           3HB      LYS  67   5.865  -1.737  -3.667
  474    HG2  LYS  67           2HG      LYS  67   6.345  -1.722  -1.253
  475    HG3  LYS  67           3HG      LYS  67   4.974  -2.800  -0.991
  476    HD2  LYS  67           2HD      LYS  67   6.121  -4.367  -2.655
  477    HD3  LYS  67           3HD      LYS  67   7.552  -3.361  -2.426
  478    HE2  LYS  67           2HE      LYS  67   6.048  -4.811  -0.250
  479    HE3  LYS  67           3HE      LYS  67   7.570  -5.332  -0.966
  480    HZ1  LYS  67           3HZ      LYS  67   7.177  -2.792   0.523
  481    HZ2  LYS  67           1HZ      LYS  67   8.644  -3.373  -0.090
  482    HZ3  LYS  67           2HZ      LYS  67   7.864  -4.195   1.165
  483    HA   PRO  68           HA       PRO  68   7.432   2.051  -2.740
  484    HB2  PRO  68           2HB      PRO  68   7.211   3.486  -5.072
  485    HB3  PRO  68           3HB      PRO  68   8.189   2.026  -4.893
  486    HG2  PRO  68           2HG      PRO  68   5.434   2.334  -6.022
  487    HG3  PRO  68           3HG      PRO  68   6.791   1.364  -6.625
  488    HD2  PRO  68           2HD      PRO  68   4.776   0.244  -5.269
  489    HD3  PRO  68           3HD      PRO  68   6.450  -0.313  -5.057
  490    H    CYS  69           H        CYS  69   4.138   2.688  -3.667
  491    HA   CYS  69           HA       CYS  69   4.257   5.483  -2.928
  492    HB2  CYS  69           2HB      CYS  69   1.850   3.750  -3.525
  493    HB3  CYS  69           3HB      CYS  69   1.858   5.505  -3.398
  494    H    VAL  70           H        VAL  70   2.880   2.483  -1.651
  495    HA   VAL  70           HA       VAL  70   1.643   3.776   0.574
  496    HB   VAL  70           HB       VAL  70   0.883   1.626  -0.547
  497   HG11  VAL  70          1HG1      VAL  70   3.042   0.435   1.180
  498   HG12  VAL  70          2HG1      VAL  70   2.986   0.430  -0.583
  499   HG13  VAL  70          3HG1      VAL  70   1.784  -0.471   0.342
  500   HG21  VAL  70          3HG2      VAL  70   1.135   1.618   2.450
  501   HG22  VAL  70          1HG2      VAL  70  -0.035   0.701   1.503
  502   HG23  VAL  70          2HG2      VAL  70  -0.099   2.464   1.517
  503    H    SER  71           H        SER  71   4.776   2.436  -0.049
  504    HA   SER  71           HA       SER  71   5.548   1.903   2.607
  505    HB2  SER  71           2HB      SER  71   7.898   2.135   1.675
  506    HB3  SER  71           3HB      SER  71   6.867   0.956   0.862
  507    HG   SER  71           HG       SER  71   7.750   3.471  -0.023
  508    H    ILE  72           H        ILE  72   5.450   4.825   0.714
  509    HA   ILE  72           HA       ILE  72   6.921   6.373   2.666
  510    HB   ILE  72           HB       ILE  72   5.297   7.277   0.277
  511   HG12  ILE  72          2HG1      ILE  72   8.291   6.976   0.608
  512   HG13  ILE  72          3HG1      ILE  72   7.259   5.875  -0.297
  513   HG21  ILE  72          1HG2      ILE  72   7.241   8.814   1.994
  514   HG22  ILE  72          2HG2      ILE  72   5.494   9.040   1.941
  515   HG23  ILE  72          3HG2      ILE  72   6.475   9.412   0.523
  516   HD11  ILE  72          3HD1      ILE  72   8.428   7.385  -1.783
  517   HD12  ILE  72          1HD1      ILE  72   7.748   8.774  -0.936
  518   HD13  ILE  72          2HD1      ILE  72   6.691   7.688  -1.838
  519    H    TRP  73           H        TRP  73   3.591   5.876   1.670
  520    HA   TRP  73           HA       TRP  73   2.405   7.906   3.201
  521    HB2  TRP  73           2HB      TRP  73   1.212   6.911   1.370
  522    HB3  TRP  73           3HB      TRP  73   1.300   5.318   2.110
  523    HD1  TRP  73           HD1      TRP  73  -0.680   4.618   3.591
  524    HE1  TRP  73           HE1      TRP  73  -2.775   5.784   4.515
  525    HE3  TRP  73           HE3      TRP  73   0.412   9.423   2.236
  526    HZ2  TRP  73           HZ2      TRP  73  -3.831   8.400   4.647
  527    HZ3  TRP  73           HZ3      TRP  73  -1.197  11.199   2.796
  528    HH2  TRP  73           HH2      TRP  73  -3.273  10.696   3.976
  529    H    LEU  74           H        LEU  74   2.926   4.458   3.934
  530    HA   LEU  74           HA       LEU  74   1.408   4.478   6.317
  531    HB2  LEU  74           2HB      LEU  74   3.589   2.601   5.428
  532    HB3  LEU  74           3HB      LEU  74   2.543   2.328   6.808
  533    HG   LEU  74           HG       LEU  74   1.631   2.536   3.939
  534   HD11  LEU  74          1HD1      LEU  74   1.859   0.144   5.760
  535   HD12  LEU  74          2HD1      LEU  74   2.893   0.494   4.375
  536   HD13  LEU  74          3HD1      LEU  74   1.182   0.146   4.131
  537   HD21  LEU  74          3HD2      LEU  74  -0.532   1.797   4.799
  538   HD22  LEU  74          1HD2      LEU  74  -0.054   3.338   5.508
  539   HD23  LEU  74          2HD2      LEU  74   0.100   1.852   6.445
  540    H    GLN  75           H        GLN  75   4.634   5.550   5.692
  541    HA   GLN  75           HA       GLN  75   5.539   5.283   8.409
  542    HB2  GLN  75           2HB      GLN  75   6.671   6.958   6.159
  543    HB3  GLN  75           3HB      GLN  75   7.462   6.641   7.697
  544    HG2  GLN  75           2HG      GLN  75   7.391   4.210   7.139
  545    HG3  GLN  75           3HG      GLN  75   6.814   4.659   5.536
  546   HE21  GLN  75          1HE2      GLN  75   8.573   3.861   4.470
  547   HE22  GLN  75          2HE2      GLN  75  10.153   4.567   4.566
  548    H    LYS  76           H        LYS  76   3.426   7.339   6.849
  549    HA   LYS  76           HA       LYS  76   3.764   9.395   8.930
  550    HB2  LYS  76           2HB      LYS  76   2.378   9.647   6.251
  551    HB3  LYS  76           3HB      LYS  76   2.565  10.929   7.442
  552    HG2  LYS  76           2HG      LYS  76   5.014  10.761   7.183
  553    HG3  LYS  76           3HG      LYS  76   4.768   9.557   5.918
  554    HD2  LYS  76           2HD      LYS  76   3.509  11.212   4.609
  555    HD3  LYS  76           3HD      LYS  76   3.789  12.412   5.873
  556    HE2  LYS  76           2HE      LYS  76   5.874  11.049   4.174
  557    HE3  LYS  76           3HE      LYS  76   5.383  12.740   4.093
  558    HZ1  LYS  76           3HZ      LYS  76   6.228  13.055   6.339
  559    HZ2  LYS  76           1HZ      LYS  76   7.449  12.478   5.312
  560    HZ3  LYS  76           2HZ      LYS  76   6.702  11.429   6.410
  561    H    SER  77           H        SER  77   1.437   7.462   7.126
  562    HA   SER  77           HA       SER  77  -0.308   7.426   9.469
  563    HB2  SER  77           2HB      SER  77  -1.255   8.034   6.654
  564    HB3  SER  77           3HB      SER  77  -2.295   7.809   8.061
  565    HG   SER  77           HG       SER  77  -1.476   9.665   8.958
  566    H    GLY  78           H        GLY  78  -0.341   5.307   9.964
  567    HA2  GLY  78           2HA      GLY  78   0.030   3.288   7.926
  568    HA3  GLY  78           3HA      GLY  78  -0.194   3.011   9.650
  569    H    THR  79           H        THR  79  -2.009   4.173   6.819
  570    HA   THR  79           HA       THR  79  -4.256   2.465   7.544
  571    HB   THR  79           HB       THR  79  -5.752   4.582   7.101
  572    HG1  THR  79           HG1      THR  79  -3.251   5.659   7.890
  573   HG21  THR  79          3HG2      THR  79  -5.873   5.035   9.501
  574   HG22  THR  79          1HG2      THR  79  -4.350   4.177   9.743
  575   HG23  THR  79          2HG2      THR  79  -5.774   3.302   9.185
  576    H    CYS  80           H        CYS  80  -5.759   2.173   5.779
  577    HA   CYS  80           HA       CYS  80  -4.772   2.696   3.136
  578    HB2  CYS  80           2HB      CYS  80  -7.617   2.003   3.921
  579    HB3  CYS  80           3HB      CYS  80  -6.884   1.812   2.340
  580    HA   PRO  81           HA       PRO  81  -6.083   7.018   3.092
  581    HB2  PRO  81           2HB      PRO  81  -6.074   6.496   0.159
  582    HB3  PRO  81           3HB      PRO  81  -5.325   7.811   1.070
  583    HG2  PRO  81           2HG      PRO  81  -3.850   5.814   0.105
  584    HG3  PRO  81           3HG      PRO  81  -3.506   6.520   1.695
  585    HD2  PRO  81           2HD      PRO  81  -4.808   3.924   1.015
  586    HD3  PRO  81           3HD      PRO  81  -3.736   4.331   2.372
  587    H    VAL  82           H        VAL  82  -7.625   4.412   1.362
  588    HA   VAL  82           HA       VAL  82  -9.969   5.907   0.647
  589    HB   VAL  82           HB       VAL  82  -9.411   2.941   0.509
  590   HG11  VAL  82          1HG1      VAL  82 -11.808   3.359   0.570
  591   HG12  VAL  82          2HG1      VAL  82 -11.310   2.836  -1.040
  592   HG13  VAL  82          3HG1      VAL  82 -11.650   4.541  -0.732
  593   HG21  VAL  82          3HG2      VAL  82  -7.909   4.254  -0.883
  594   HG22  VAL  82          1HG2      VAL  82  -9.281   5.095  -1.603
  595   HG23  VAL  82          2HG2      VAL  82  -9.057   3.367  -1.886
  596    H    CYS  83           H        CYS  83  -9.158   3.566   3.206
  597    HA   CYS  83           HA       CYS  83 -11.964   3.702   4.104
  598    HB2  CYS  83           2HB      CYS  83 -11.761   1.521   4.997
  599    HB3  CYS  83           3HB      CYS  83 -10.965   1.446   3.431
  600    H    ARG  84           H        ARG  84  -8.682   4.251   5.018
  601    HA   ARG  84           HA       ARG  84  -7.576   4.650   6.913
  602    HB2  ARG  84           2HB      ARG  84 -10.118   6.136   7.292
  603    HB3  ARG  84           3HB      ARG  84  -9.057   5.968   8.688
  604    HG2  ARG  84           2HG      ARG  84  -7.215   6.929   7.395
  605    HG3  ARG  84           3HG      ARG  84  -8.292   7.114   6.010
  606    HD2  ARG  84           2HD      ARG  84  -9.608   8.727   7.141
  607    HD3  ARG  84           3HD      ARG  84  -8.839   8.372   8.688
  608    HE   ARG  84           HE       ARG  84  -7.021   9.660   8.076
  609   HH11  ARG  84          1HH1      ARG  84  -9.201   9.290   5.349
  610   HH12  ARG  84          2HH1      ARG  84  -8.408  10.505   4.393
  611   HH21  ARG  84          1HH2      ARG  84  -5.962  11.241   6.814
  612   HH22  ARG  84          2HH2      ARG  84  -6.573  11.622   5.227
  613    H    CYS  85           H        CYS  85  -7.512   2.381   7.223
  614    HA   CYS  85           HA       CYS  85  -8.524   1.706   9.888
  615    HB2  CYS  85           2HB      CYS  85  -9.765   0.379   8.183
  616    HB3  CYS  85           3HB      CYS  85  -8.233  -0.246   7.584
  617    HG   CYS  85           HG       CYS  85  -9.376  -2.292   9.030
  618    H    MET  86           H        MET  86  -6.986   0.585  11.170
  619    HA   MET  86           HA       MET  86  -4.414   1.681  10.603
  620    HB2  MET  86           2HB      MET  86  -5.498   1.686  12.853
  621    HB3  MET  86           3HB      MET  86  -5.203  -0.045  12.944
  622    HG2  MET  86           2HG      MET  86  -2.815   0.323  12.827
  623    HG3  MET  86           3HG      MET  86  -3.071   2.057  12.640
  624    HE1  MET  86           3HE      MET  86  -4.777  -0.627  15.000
  625    HE2  MET  86           1HE      MET  86  -3.857  -0.368  16.481
  626    HE3  MET  86           2HE      MET  86  -3.052  -0.996  15.043
  627    H    PHE  87           H        PHE  87  -2.686   0.797   9.847
  628    HA   PHE  87           HA       PHE  87  -2.335  -2.126   9.962
  629    HB2  PHE  87           2HB      PHE  87  -2.599  -1.529   7.643
  630    HB3  PHE  87           3HB      PHE  87  -1.503  -0.164   7.811
  631    HD1  PHE  87           HD1      PHE  87  -1.692  -3.851   7.746
  632    HD2  PHE  87           HD2      PHE  87   0.829  -0.427   7.559
  633    HE1  PHE  87           HE1      PHE  87   0.186  -5.274   7.038
  634    HE2  PHE  87           HE2      PHE  87   2.711  -1.847   6.855
  635    HZ   PHE  87           HZ       PHE  87   2.391  -4.273   6.593
  636    HA   PRO  88           HA       PRO  88  -0.745  -3.614   9.990
  637    HB2  PRO  88           2HB      PRO  88   0.443  -4.473  12.517
  638    HB3  PRO  88           3HB      PRO  88   0.876  -4.932  10.869
  639    HG2  PRO  88           2HG      PRO  88   2.475  -3.393  12.412
  640    HG3  PRO  88           3HG      PRO  88   2.397  -3.222  10.648
  641    HD2  PRO  88           2HD      PRO  88   1.073  -1.571  12.773
  642    HD3  PRO  88           3HD      PRO  88   1.891  -1.044  11.284
  643    HA   PRO  89           HA       PRO  89  -4.482  -3.937  12.294
  644    HB2  PRO  89           2HB      PRO  89  -4.702  -6.690  12.471
  645    HB3  PRO  89           3HB      PRO  89  -5.192  -5.725  11.076
  646    HG2  PRO  89           2HG      PRO  89  -2.678  -7.276  11.523
  647    HG3  PRO  89           3HG      PRO  89  -3.640  -7.097  10.044
  648    HD2  PRO  89           2HD      PRO  89  -1.356  -5.738  10.406
  649    HD3  PRO  89           3HD      PRO  89  -2.742  -5.015   9.562
  650    HA   PRO  90           HA       PRO  90  -3.099  -4.149  16.478
  651    HB2  PRO  90           2HB      PRO  90  -5.559  -4.146  17.688
  652    HB3  PRO  90           3HB      PRO  90  -4.773  -2.702  17.043
  653    HG2  PRO  90           2HG      PRO  90  -6.894  -4.414  15.813
  654    HG3  PRO  90           3HG      PRO  90  -6.744  -2.646  15.823
  655    HD2  PRO  90           2HD      PRO  90  -6.071  -4.120  13.672
  656    HD3  PRO  90           3HD      PRO  90  -5.193  -2.641  14.111
  657    H    LEU  91           H        LEU  91  -2.970  -5.556  18.225
  658    HA   LEU  91           HA       LEU  91  -4.085  -8.235  17.737
  659    HB2  LEU  91           2HB      LEU  91  -1.561  -7.474  19.216
  660    HB3  LEU  91           3HB      LEU  91  -2.165  -9.105  19.010
  661    HG   LEU  91           HG       LEU  91  -1.245  -7.301  16.770
  662   HD11  LEU  91          1HD1      LEU  91   0.600  -8.012  18.197
  663   HD12  LEU  91          2HD1      LEU  91   0.669  -8.811  16.625
  664   HD13  LEU  91          3HD1      LEU  91   0.087  -9.691  18.038
  665   HD21  LEU  91          3HD2      LEU  91  -2.980  -8.874  16.075
  666   HD22  LEU  91          1HD2      LEU  91  -2.054 -10.208  16.761
  667   HD23  LEU  91          2HD2      LEU  91  -1.416  -9.305  15.386
  Start of MODEL   18
    1    H1   MET   1           1H       MET   1  -2.592  14.636 -14.552
    2    H2   MET   1           2H       MET   1  -1.471  13.518 -15.162
    3    H3   MET   1           3H       MET   1  -2.166  13.277 -13.634
    4    HA   MET   1           HA       MET   1  -3.629  13.285 -16.207
    5    HB2  MET   1           2HB      MET   1  -3.845  10.895 -15.964
    6    HB3  MET   1           3HB      MET   1  -2.142  11.322 -15.926
    7    HG2  MET   1           2HG      MET   1  -2.130  11.106 -13.501
    8    HG3  MET   1           3HG      MET   1  -3.846  10.703 -13.525
    9    HE1  MET   1           3HE      MET   1  -1.000   9.587 -16.027
   10    HE2  MET   1           1HE      MET   1  -0.518   8.048 -15.310
   11    HE3  MET   1           2HE      MET   1  -0.220   9.557 -14.445
   12    H    GLY   2           H        GLY   2  -3.715  13.655 -12.816
   13    HA2  GLY   2           2HA      GLY   2  -6.541  12.968 -12.630
   14    HA3  GLY   2           3HA      GLY   2  -5.506  13.489 -11.308
   15    H    HIS   3           H        HIS   3  -7.771  14.441 -13.673
   16    HA   HIS   3           HA       HIS   3  -7.090  17.217 -13.737
   17    HB2  HIS   3           2HB      HIS   3  -8.322  16.033 -15.567
   18    HB3  HIS   3           3HB      HIS   3  -9.721  15.932 -14.503
   19    HD1  HIS   3           HD1      HIS   3 -11.307  17.472 -15.707
   20    HD2  HIS   3           HD2      HIS   3  -7.574  19.198 -15.049
   21    HE1  HIS   3           HE1      HIS   3 -11.544  19.894 -16.361
   22    HE2  HIS   3           HE2      HIS   3  -9.315  20.948 -15.824
   23    H    HIS   4           H        HIS   4  -9.250  15.221 -11.837
   24    HA   HIS   4           HA       HIS   4  -9.464  17.318  -9.869
   25    HB2  HIS   4           2HB      HIS   4 -11.774  16.536 -11.574
   26    HB3  HIS   4           3HB      HIS   4 -12.082  16.748  -9.855
   27    HD1  HIS   4           HD1      HIS   4 -11.187  19.174  -8.901
   28    HD2  HIS   4           HD2      HIS   4 -11.890  18.847 -12.986
   29    HE1  HIS   4           HE1      HIS   4 -11.453  21.533  -9.733
   30    HE2  HIS   4           HE2      HIS   4 -11.747  21.320 -12.225
   31    H    HIS   5           H        HIS   5 -10.335  16.564  -7.853
   32    HA   HIS   5           HA       HIS   5 -11.134  13.864  -7.476
   33    HB2  HIS   5           2HB      HIS   5  -8.416  14.077  -7.745
   34    HB3  HIS   5           3HB      HIS   5  -8.608  14.260  -6.004
   35    HD1  HIS   5           HD1      HIS   5 -10.256  11.921  -8.527
   36    HD2  HIS   5           HD2      HIS   5  -8.230  11.829  -4.892
   37    HE1  HIS   5           HE1      HIS   5 -10.171   9.500  -7.858
   38    HE2  HIS   5           HE2      HIS   5  -9.116   9.488  -5.573
   39    H    HIS   6           H        HIS   6 -11.919  13.533  -5.379
   40    HA   HIS   6           HA       HIS   6 -12.699  15.940  -4.048
   41    HB2  HIS   6           2HB      HIS   6 -14.079  13.817  -4.257
   42    HB3  HIS   6           3HB      HIS   6 -13.029  13.106  -3.039
   43    HD1  HIS   6           HD1      HIS   6 -16.129  14.885  -3.393
   44    HD2  HIS   6           HD2      HIS   6 -13.147  14.704  -0.495
   45    HE1  HIS   6           HE1      HIS   6 -17.189  15.725  -1.277
   46    HE2  HIS   6           HE2      HIS   6 -15.321  15.789   0.411
   47    H    HIS   7           H        HIS   7 -11.189  17.040  -2.925
   48    HA   HIS   7           HA       HIS   7  -9.750  15.553  -0.867
   49    HB2  HIS   7           2HB      HIS   7  -7.723  17.058  -1.307
   50    HB3  HIS   7           3HB      HIS   7  -8.001  15.699  -2.382
   51    HD1  HIS   7           HD1      HIS   7  -7.415  16.313  -4.665
   52    HD2  HIS   7           HD2      HIS   7  -9.135  19.509  -2.640
   53    HE1  HIS   7           HE1      HIS   7  -7.482  18.203  -6.320
   54    HE2  HIS   7           HE2      HIS   7  -8.713  20.054  -5.135
   55    H    HIS   8           H        HIS   8 -11.378  16.410   0.470
   56    HA   HIS   8           HA       HIS   8 -10.344  18.894   1.642
   57    HB2  HIS   8           2HB      HIS   8 -13.205  18.081   1.260
   58    HB3  HIS   8           3HB      HIS   8 -12.769  18.980   2.708
   59    HD1  HIS   8           HD1      HIS   8 -14.665  20.244   0.676
   60    HD2  HIS   8           HD2      HIS   8 -10.534  20.765   0.616
   61    HE1  HIS   8           HE1      HIS   8 -14.266  22.403  -0.555
   62    HE2  HIS   8           HE2      HIS   8 -11.760  22.634  -0.689
   63    H    SER   9           H        SER   9  -9.022  16.902   2.282
   64    HA   SER   9           HA       SER   9 -10.338  15.220   4.278
   65    HB2  SER   9           2HB      SER   9  -8.228  13.828   3.947
   66    HB3  SER   9           3HB      SER   9  -9.303  13.957   2.555
   67    HG   SER   9           HG       SER   9  -6.997  15.578   2.987
   68    H    HIS  10           H        HIS  10  -8.595  14.355   5.906
   69    HA   HIS  10           HA       HIS  10  -6.869  16.509   6.867
   70    HB2  HIS  10           2HB      HIS  10  -7.599  16.026   9.223
   71    HB3  HIS  10           3HB      HIS  10  -8.830  16.793   8.231
   72    HD1  HIS  10           HD1      HIS  10  -8.149  13.791  10.257
   73    HD2  HIS  10           HD2      HIS  10 -10.980  15.039   7.477
   74    HE1  HIS  10           HE1      HIS  10 -10.075  12.186  10.480
   75    HE2  HIS  10           HE2      HIS  10 -11.845  13.066   8.909
   76    H    MET  11           H        MET  11  -4.890  15.760   7.179
   77    HA   MET  11           HA       MET  11  -4.323  12.976   6.892
   78    HB2  MET  11           2HB      MET  11  -2.827  14.841   6.120
   79    HB3  MET  11           3HB      MET  11  -2.441  15.157   7.806
   80    HG2  MET  11           2HG      MET  11  -1.589  12.836   7.991
   81    HG3  MET  11           3HG      MET  11  -1.859  12.643   6.260
   82    HE1  MET  11           3HE      MET  11   1.217  15.500   8.166
   83    HE2  MET  11           1HE      MET  11   0.288  14.298   9.061
   84    HE3  MET  11           2HE      MET  11  -0.523  15.700   8.364
   85    H    VAL  12           H        VAL  12  -4.630  11.544   8.437
   86    HA   VAL  12           HA       VAL  12  -5.099  12.254  11.128
   87    HB   VAL  12           HB       VAL  12  -5.130   9.802  11.563
   88   HG11  VAL  12          1HG1      VAL  12  -7.087   9.334  10.148
   89   HG12  VAL  12          2HG1      VAL  12  -6.694  10.741   9.159
   90   HG13  VAL  12          3HG1      VAL  12  -7.146  10.949  10.851
   91   HG21  VAL  12          3HG2      VAL  12  -4.467   9.586   8.623
   92   HG22  VAL  12          1HG2      VAL  12  -4.931   8.251   9.678
   93   HG23  VAL  12          2HG2      VAL  12  -3.418   9.111   9.959
   94    H    ALA  13           H        ALA  13  -3.737  12.597  12.732
   95    HA   ALA  13           HA       ALA  13  -0.934  11.896  12.484
   96    HB1  ALA  13           3HB      ALA  13  -1.549  14.038  13.498
   97    HB2  ALA  13           1HB      ALA  13  -0.674  13.021  14.643
   98    HB3  ALA  13           2HB      ALA  13  -2.425  13.189  14.772
   99    H    ASN  14           H        ASN  14  -0.977   9.672  12.445
  100    HA   ASN  14           HA       ASN  14  -1.952   8.326  14.875
  101    HB2  ASN  14           2HB      ASN  14  -3.549   8.089  12.970
  102    HB3  ASN  14           3HB      ASN  14  -2.265   7.346  12.024
  103   HD21  ASN  14          1HD2      ASN  14  -1.609   5.261  12.508
  104   HD22  ASN  14          2HD2      ASN  14  -2.531   4.217  13.531
  105    HA   PRO  15           HA       PRO  15   2.003   6.309  15.312
  106    HB2  PRO  15           2HB      PRO  15   0.842   3.693  15.431
  107    HB3  PRO  15           3HB      PRO  15   1.425   4.683  16.769
  108    HG2  PRO  15           2HG      PRO  15  -1.328   4.321  15.746
  109    HG3  PRO  15           3HG      PRO  15  -0.777   4.755  17.373
  110    HD2  PRO  15           2HD      PRO  15  -1.935   6.556  15.765
  111    HD3  PRO  15           3HD      PRO  15  -0.595   7.010  16.842
  112    HA   PRO  16           HA       PRO  16   2.514   5.053  11.095
  113    HB2  PRO  16           2HB      PRO  16   5.155   5.390  10.960
  114    HB3  PRO  16           3HB      PRO  16   4.062   6.768  11.141
  115    HG2  PRO  16           2HG      PRO  16   5.788   5.438  13.171
  116    HG3  PRO  16           3HG      PRO  16   5.372   7.151  12.997
  117    HD2  PRO  16           2HD      PRO  16   4.178   5.324  14.762
  118    HD3  PRO  16           3HD      PRO  16   3.551   6.926  14.330
  119    H    ALA  17           H        ALA  17   3.426   3.387   9.860
  120    HA   ALA  17           HA       ALA  17   4.047   0.969  11.342
  121    HB1  ALA  17           3HB      ALA  17   3.756   1.409   8.369
  122    HB2  ALA  17           1HB      ALA  17   2.476   0.876   9.458
  123    HB3  ALA  17           2HB      ALA  17   3.885  -0.150   9.183
  124    H    SER  18           H        SER  18   5.970  -0.173  11.146
  125    HA   SER  18           HA       SER  18   8.305   1.400  10.728
  126    HB2  SER  18           2HB      SER  18   8.113  -1.598  11.098
  127    HB3  SER  18           3HB      SER  18   9.515  -0.575  11.410
  128    HG   SER  18           HG       SER  18   8.270  -1.162  13.306
  129    H    LYS  19           H        LYS  19   9.750   1.353   9.070
  130    HA   LYS  19           HA       LYS  19   8.918   0.902   6.471
  131    HB2  LYS  19           2HB      LYS  19  10.792   2.328   6.995
  132    HB3  LYS  19           3HB      LYS  19  11.705   0.972   7.633
  133    HG2  LYS  19           2HG      LYS  19  11.648  -0.015   5.320
  134    HG3  LYS  19           3HG      LYS  19  10.992   1.530   4.772
  135    HD2  LYS  19           2HD      LYS  19  13.387   1.524   4.460
  136    HD3  LYS  19           3HD      LYS  19  12.957   2.664   5.738
  137    HE2  LYS  19           2HE      LYS  19  13.505   0.932   7.415
  138    HE3  LYS  19           3HE      LYS  19  14.033  -0.128   6.109
  139    HZ1  LYS  19           3HZ      LYS  19  15.199   2.543   6.670
  140    HZ2  LYS  19           1HZ      LYS  19  15.769   1.398   5.556
  141    HZ3  LYS  19           2HZ      LYS  19  15.858   1.082   7.223
  142    H    GLU  20           H        GLU  20  10.855  -1.200   8.564
  143    HA   GLU  20           HA       GLU  20  11.327  -3.258   6.715
  144    HB2  GLU  20           2HB      GLU  20  11.076  -3.380   9.726
  145    HB3  GLU  20           3HB      GLU  20  11.742  -4.660   8.722
  146    HG2  GLU  20           2HG      GLU  20  13.600  -3.340   8.103
  147    HG3  GLU  20           3HG      GLU  20  12.871  -1.876   8.763
  148    H    SER  21           H        SER  21   8.648  -2.696   8.941
  149    HA   SER  21           HA       SER  21   7.337  -5.169   8.544
  150    HB2  SER  21           2HB      SER  21   6.046  -2.545   9.314
  151    HB3  SER  21           3HB      SER  21   5.490  -4.172   9.706
  152    HG   SER  21           HG       SER  21   7.547  -4.390  10.875
  153    H    ILE  22           H        ILE  22   7.251  -2.094   6.868
  154    HA   ILE  22           HA       ILE  22   5.016  -2.737   5.198
  155    HB   ILE  22           HB       ILE  22   7.193  -0.700   4.691
  156   HG12  ILE  22          2HG1      ILE  22   4.511  -0.262   6.019
  157   HG13  ILE  22          3HG1      ILE  22   6.018  -0.453   6.908
  158   HG21  ILE  22          1HG2      ILE  22   5.841  -1.228   2.730
  159   HG22  ILE  22          2HG2      ILE  22   5.503   0.405   3.308
  160   HG23  ILE  22          3HG2      ILE  22   4.370  -0.904   3.647
  161   HD11  ILE  22          3HD1      ILE  22   6.915   1.534   5.817
  162   HD12  ILE  22          1HD1      ILE  22   5.420   1.885   6.682
  163   HD13  ILE  22          2HD1      ILE  22   5.404   1.724   4.926
  164    H    ASP  23           H        ASP  23   8.526  -2.937   4.909
  165    HA   ASP  23           HA       ASP  23   8.522  -3.776   2.191
  166    HB2  ASP  23           2HB      ASP  23  10.496  -2.762   3.275
  167    HB3  ASP  23           3HB      ASP  23  10.656  -4.187   4.298
  168    H    ALA  24           H        ALA  24   7.974  -5.376   5.176
  169    HA   ALA  24           HA       ALA  24   8.513  -8.036   4.321
  170    HB1  ALA  24           3HB      ALA  24   7.354  -8.714   6.342
  171    HB2  ALA  24           1HB      ALA  24   6.706  -7.087   6.542
  172    HB3  ALA  24           2HB      ALA  24   8.441  -7.369   6.691
  173    H    LEU  25           H        LEU  25   5.986  -5.847   3.670
  174    HA   LEU  25           HA       LEU  25   3.836  -7.662   3.340
  175    HB2  LEU  25           2HB      LEU  25   4.345  -4.957   2.101
  176    HB3  LEU  25           3HB      LEU  25   2.837  -5.839   1.956
  177    HG   LEU  25           HG       LEU  25   4.029  -4.862   4.553
  178   HD11  LEU  25          1HD1      LEU  25   1.703  -3.811   2.946
  179   HD12  LEU  25          2HD1      LEU  25   3.268  -3.022   3.139
  180   HD13  LEU  25          3HD1      LEU  25   2.210  -3.236   4.534
  181   HD21  LEU  25          3HD2      LEU  25   1.854  -5.479   5.497
  182   HD22  LEU  25          1HD2      LEU  25   2.698  -6.878   4.831
  183   HD23  LEU  25          2HD2      LEU  25   1.369  -6.142   3.936
  184    HA   PRO  26           HA       PRO  26   4.866  -9.842  -0.336
  185    HB2  PRO  26           2HB      PRO  26   2.336 -10.041  -1.432
  186    HB3  PRO  26           3HB      PRO  26   2.974 -11.101  -0.173
  187    HG2  PRO  26           2HG      PRO  26   1.201  -8.705   0.085
  188    HG3  PRO  26           3HG      PRO  26   1.116 -10.258   0.938
  189    HD2  PRO  26           2HD      PRO  26   2.133  -8.086   2.123
  190    HD3  PRO  26           3HD      PRO  26   2.844  -9.693   2.390
  191    H    GLU  27           H        GLU  27   5.552  -9.296  -2.314
  192    HA   GLU  27           HA       GLU  27   4.659  -6.726  -3.406
  193    HB2  GLU  27           2HB      GLU  27   7.096  -8.343  -4.162
  194    HB3  GLU  27           3HB      GLU  27   6.733  -6.692  -4.651
  195    HG2  GLU  27           2HG      GLU  27   6.938  -5.952  -2.346
  196    HG3  GLU  27           3HG      GLU  27   7.265  -7.608  -1.834
  197    H    ILE  28           H        ILE  28   3.284  -6.754  -5.021
  198    HA   ILE  28           HA       ILE  28   3.239  -9.092  -6.817
  199    HB   ILE  28           HB       ILE  28   1.022  -7.087  -6.345
  200   HG12  ILE  28          2HG1      ILE  28   1.273  -9.927  -5.320
  201   HG13  ILE  28          3HG1      ILE  28   1.477  -8.479  -4.339
  202   HG21  ILE  28          1HG2      ILE  28   0.987  -8.131  -8.556
  203   HG22  ILE  28          2HG2      ILE  28  -0.369  -8.677  -7.568
  204   HG23  ILE  28          3HG2      ILE  28   1.029  -9.726  -7.805
  205   HD11  ILE  28          3HD1      ILE  28  -1.048  -9.326  -5.741
  206   HD12  ILE  28          1HD1      ILE  28  -0.848  -7.870  -4.766
  207   HD13  ILE  28          2HD1      ILE  28  -0.712  -9.459  -4.014
  208    H    LEU  29           H        LEU  29   4.332  -8.654  -8.634
  209    HA   LEU  29           HA       LEU  29   4.797  -6.029  -9.612
  210    HB2  LEU  29           2HB      LEU  29   6.299  -7.879 -10.133
  211    HB3  LEU  29           3HB      LEU  29   5.015  -8.705 -10.996
  212    HG   LEU  29           HG       LEU  29   4.987  -6.897 -12.675
  213   HD11  LEU  29          1HD1      LEU  29   6.750  -5.225 -12.703
  214   HD12  LEU  29          2HD1      LEU  29   7.373  -5.834 -11.170
  215   HD13  LEU  29          3HD1      LEU  29   5.780  -5.080 -11.236
  216   HD21  LEU  29          3HD2      LEU  29   6.348  -8.884 -13.043
  217   HD22  LEU  29          1HD2      LEU  29   7.701  -8.123 -12.207
  218   HD23  LEU  29          2HD2      LEU  29   7.117  -7.454 -13.731
  219    H    VAL  30           H        VAL  30   3.393  -4.737 -10.580
  220    HA   VAL  30           HA       VAL  30   0.818  -5.650 -11.389
  221    HB   VAL  30           HB       VAL  30   2.109  -2.972 -11.947
  222   HG11  VAL  30          1HG1      VAL  30  -0.787  -3.820 -11.967
  223   HG12  VAL  30          2HG1      VAL  30   0.189  -3.417 -13.379
  224   HG13  VAL  30          3HG1      VAL  30  -0.199  -2.173 -12.190
  225   HG21  VAL  30          3HG2      VAL  30   2.059  -3.415  -9.558
  226   HG22  VAL  30          1HG2      VAL  30   0.349  -3.844  -9.654
  227   HG23  VAL  30          2HG2      VAL  30   0.863  -2.187  -9.975
  228    H    THR  31           H        THR  31   0.450  -6.732 -13.171
  229    HA   THR  31           HA       THR  31   2.189  -6.361 -15.483
  230    HB   THR  31           HB       THR  31   0.875  -8.343 -16.389
  231    HG1  THR  31           HG1      THR  31  -0.499  -9.390 -15.066
  232   HG21  THR  31          3HG2      THR  31   3.113  -8.580 -15.421
  233   HG22  THR  31          1HG2      THR  31   2.099  -9.970 -15.028
  234   HG23  THR  31          2HG2      THR  31   2.404  -8.730 -13.813
  235    H    GLU  32           H        GLU  32   1.370  -5.886 -17.530
  236    HA   GLU  32           HA       GLU  32  -0.573  -3.821 -17.478
  237    HB2  GLU  32           2HB      GLU  32   1.524  -4.150 -18.978
  238    HB3  GLU  32           3HB      GLU  32   0.458  -5.116 -19.988
  239    HG2  GLU  32           2HG      GLU  32   0.586  -2.876 -20.842
  240    HG3  GLU  32           3HG      GLU  32  -1.038  -3.183 -20.225
  241    H    ASP  33           H        ASP  33  -0.839  -7.177 -17.832
  242    HA   ASP  33           HA       ASP  33  -3.040  -7.214 -19.681
  243    HB2  ASP  33           2HB      ASP  33  -2.286  -9.499 -17.876
  244    HB3  ASP  33           3HB      ASP  33  -2.987  -9.557 -19.488
  245    H    HIS  34           H        HIS  34  -2.650  -7.660 -16.182
  246    HA   HIS  34           HA       HIS  34  -5.408  -8.302 -15.775
  247    HB2  HIS  34           2HB      HIS  34  -3.571  -9.129 -14.304
  248    HB3  HIS  34           3HB      HIS  34  -3.349  -7.487 -13.712
  249    HD1  HIS  34           HD1      HIS  34  -6.240  -9.976 -13.950
  250    HD2  HIS  34           HD2      HIS  34  -4.694  -7.066 -11.403
  251    HE1  HIS  34           HE1      HIS  34  -7.715 -10.002 -11.913
  252    HE2  HIS  34           HE2      HIS  34  -6.799  -8.202 -10.404
  253    H    GLY  35           H        GLY  35  -3.413  -5.433 -15.083
  254    HA2  GLY  35           2HA      GLY  35  -4.020  -3.210 -15.071
  255    HA3  GLY  35           3HA      GLY  35  -5.608  -3.686 -15.650
  256    H    ALA  36           H        ALA  36  -7.217  -4.294 -14.103
  257    HA   ALA  36           HA       ALA  36  -7.105  -2.630 -11.772
  258    HB1  ALA  36           3HB      ALA  36  -9.166  -2.884 -13.076
  259    HB2  ALA  36           1HB      ALA  36  -9.399  -3.340 -11.388
  260    HB3  ALA  36           2HB      ALA  36  -9.236  -4.588 -12.624
  261    H    VAL  37           H        VAL  37  -5.755  -3.327 -10.216
  262    HA   VAL  37           HA       VAL  37  -5.783  -6.144  -9.446
  263    HB   VAL  37           HB       VAL  37  -3.984  -3.926  -8.450
  264   HG11  VAL  37          1HG1      VAL  37  -3.781  -6.920  -8.178
  265   HG12  VAL  37          2HG1      VAL  37  -4.151  -5.774  -6.888
  266   HG13  VAL  37          3HG1      VAL  37  -2.561  -5.759  -7.655
  267   HG21  VAL  37          3HG2      VAL  37  -3.466  -6.020 -10.556
  268   HG22  VAL  37          1HG2      VAL  37  -2.276  -4.884  -9.920
  269   HG23  VAL  37          2HG2      VAL  37  -3.662  -4.290 -10.836
  270    H    GLY  38           H        GLY  38  -7.133  -6.765  -7.908
  271    HA2  GLY  38           2HA      GLY  38  -7.793  -6.848  -5.655
  272    HA3  GLY  38           3HA      GLY  38  -7.288  -5.177  -5.463
  273    H    GLN  39           H        GLN  39  -8.645  -3.645  -6.967
  274    HA   GLN  39           HA       GLN  39 -11.426  -4.416  -7.147
  275    HB2  GLN  39           2HB      GLN  39 -11.239  -3.854  -4.767
  276    HB3  GLN  39           3HB      GLN  39 -10.561  -2.287  -5.183
  277    HG2  GLN  39           2HG      GLN  39 -12.652  -1.665  -6.276
  278    HG3  GLN  39           3HG      GLN  39 -13.331  -3.239  -5.876
  279   HE21  GLN  39          1HE2      GLN  39 -11.264  -1.434  -3.712
  280   HE22  GLN  39          2HE2      GLN  39 -12.479  -1.086  -2.534
  281    H    GLU  40           H        GLU  40  -9.327  -1.536  -6.967
  282    HA   GLU  40           HA       GLU  40 -10.835  -0.385  -9.202
  283    HB2  GLU  40           2HB      GLU  40 -10.524   0.880  -7.005
  284    HB3  GLU  40           3HB      GLU  40  -8.829   1.034  -7.445
  285    HG2  GLU  40           2HG      GLU  40  -9.467   2.235  -9.476
  286    HG3  GLU  40           3HG      GLU  40 -11.163   2.081  -9.032
  287    H    MET  41           H        MET  41  -9.662   0.637 -10.936
  288    HA   MET  41           HA       MET  41  -7.237  -0.841 -11.597
  289    HB2  MET  41           2HB      MET  41  -7.589  -0.093 -13.871
  290    HB3  MET  41           3HB      MET  41  -9.100  -0.730 -13.241
  291    HG2  MET  41           2HG      MET  41  -8.405   2.196 -13.377
  292    HG3  MET  41           3HG      MET  41  -9.351   1.335 -14.588
  293    HE1  MET  41           3HE      MET  41 -11.791   0.433 -14.211
  294    HE2  MET  41           1HE      MET  41 -12.596   0.410 -12.642
  295    HE3  MET  41           2HE      MET  41 -11.175  -0.596 -12.918
  296    H    CYS  42           H        CYS  42  -7.770   1.773  -9.882
  297    HA   CYS  42           HA       CYS  42  -5.446   3.223 -10.935
  298    HB2  CYS  42           2HB      CYS  42  -7.642   4.336 -11.516
  299    HB3  CYS  42           3HB      CYS  42  -7.915   4.549  -9.793
  300    HG   CYS  42           HG       CYS  42  -6.648   6.679 -11.700
  301    H    CYS  43           H        CYS  43  -4.307   4.453  -9.316
  302    HA   CYS  43           HA       CYS  43  -4.632   3.323  -6.618
  303    HB2  CYS  43           2HB      CYS  43  -2.483   2.779  -7.577
  304    HB3  CYS  43           3HB      CYS  43  -2.216   4.451  -8.051
  305    HA   PRO  44           HA       PRO  44  -6.297   7.454  -5.824
  306    HB2  PRO  44           2HB      PRO  44  -6.512   6.951  -3.092
  307    HB3  PRO  44           3HB      PRO  44  -7.767   6.655  -4.297
  308    HG2  PRO  44           2HG      PRO  44  -5.824   4.752  -3.074
  309    HG3  PRO  44           3HG      PRO  44  -7.516   4.491  -3.538
  310    HD2  PRO  44           2HD      PRO  44  -5.495   3.554  -5.031
  311    HD3  PRO  44           3HD      PRO  44  -6.983   4.176  -5.775
  312    H    ILE  45           H        ILE  45  -3.646   5.888  -4.143
  313    HA   ILE  45           HA       ILE  45  -2.710   8.174  -2.746
  314    HB   ILE  45           HB       ILE  45  -1.105   5.753  -3.598
  315   HG12  ILE  45          2HG1      ILE  45  -2.681   6.204  -1.050
  316   HG13  ILE  45          3HG1      ILE  45  -3.152   5.123  -2.357
  317   HG21  ILE  45          1HG2      ILE  45   0.282   6.298  -1.636
  318   HG22  ILE  45          2HG2      ILE  45  -0.685   7.750  -1.373
  319   HG23  ILE  45          3HG2      ILE  45   0.286   7.590  -2.837
  320   HD11  ILE  45          3HD1      ILE  45  -0.680   4.855  -0.661
  321   HD12  ILE  45          1HD1      ILE  45  -1.176   3.762  -1.952
  322   HD13  ILE  45          2HD1      ILE  45  -2.159   3.909  -0.496
  323    H    CYS  46           H        CYS  46  -2.324   7.028  -6.002
  324    HA   CYS  46           HA       CYS  46  -0.131   8.929  -6.491
  325    HB2  CYS  46           2HB      CYS  46  -1.150   6.600  -8.131
  326    HB3  CYS  46           3HB      CYS  46   0.103   7.709  -8.672
  327    H    CYS  47           H        CYS  47  -3.463   8.396  -7.031
  328    HA   CYS  47           HA       CYS  47  -5.051   9.223  -8.418
  329    HB2  CYS  47           2HB      CYS  47  -4.130  11.422  -7.591
  330    HB3  CYS  47           3HB      CYS  47  -3.094  11.459  -9.013
  331    HG   CYS  47           HG       CYS  47  -5.456  11.276 -10.722
  332    H    SER  48           H        SER  48  -2.860   7.472  -9.248
  333    HA   SER  48           HA       SER  48  -3.033   7.788 -12.157
  334    HB2  SER  48           2HB      SER  48  -0.557   6.867 -10.672
  335    HB3  SER  48           3HB      SER  48  -0.713   7.139 -12.408
  336    HG   SER  48           HG       SER  48  -1.440   9.382 -11.342
  337    H    GLU  49           H        GLU  49  -2.990   5.781 -13.311
  338    HA   GLU  49           HA       GLU  49  -4.399   3.766 -11.810
  339    HB2  GLU  49           2HB      GLU  49  -4.780   2.751 -14.043
  340    HB3  GLU  49           3HB      GLU  49  -5.311   4.421 -13.922
  341    HG2  GLU  49           2HG      GLU  49  -3.123   5.069 -14.992
  342    HG3  GLU  49           3HG      GLU  49  -2.880   3.354 -15.324
  343    H    TYR  50           H        TYR  50  -3.956   1.422 -12.802
  344    HA   TYR  50           HA       TYR  50  -1.259   0.769 -11.923
  345    HB2  TYR  50           2HB      TYR  50  -3.766  -0.841 -12.359
  346    HB3  TYR  50           3HB      TYR  50  -2.205  -1.630 -12.171
  347    HD1  TYR  50           HD2      TYR  50  -4.600   0.649 -10.469
  348    HD2  TYR  50           HD1      TYR  50  -1.274  -1.967 -10.048
  349    HE1  TYR  50           HE2      TYR  50  -4.808   0.786  -8.021
  350    HE2  TYR  50           HE1      TYR  50  -1.472  -1.836  -7.602
  351    HH   TYR  50           HH       TYR  50  -4.165  -0.604  -6.027
  352    H    VAL  51           H        VAL  51   0.301   0.602 -13.337
  353    HA   VAL  51           HA       VAL  51  -0.212  -0.682 -15.927
  354    HB   VAL  51           HB       VAL  51   1.426   0.818 -16.999
  355   HG11  VAL  51          1HG1      VAL  51  -0.931   1.364 -17.189
  356   HG12  VAL  51          2HG1      VAL  51   0.029   2.840 -17.089
  357   HG13  VAL  51          3HG1      VAL  51  -0.864   2.271 -15.678
  358   HG21  VAL  51          3HG2      VAL  51   1.371   2.316 -14.376
  359   HG22  VAL  51          1HG2      VAL  51   2.158   2.868 -15.854
  360   HG23  VAL  51          2HG2      VAL  51   2.739   1.418 -15.035
  361    H    LYS  52           H        LYS  52   1.899  -1.485 -16.905
  362    HA   LYS  52           HA       LYS  52   3.248  -3.097 -15.007
  363    HB2  LYS  52           2HB      LYS  52   2.989  -3.733 -17.383
  364    HB3  LYS  52           3HB      LYS  52   4.093  -2.441 -17.836
  365    HG2  LYS  52           2HG      LYS  52   5.840  -3.537 -16.437
  366    HG3  LYS  52           3HG      LYS  52   4.726  -4.884 -16.197
  367    HD2  LYS  52           2HD      LYS  52   6.255  -5.431 -17.973
  368    HD3  LYS  52           3HD      LYS  52   4.643  -5.192 -18.652
  369    HE2  LYS  52           2HE      LYS  52   5.238  -2.998 -19.434
  370    HE3  LYS  52           3HE      LYS  52   6.794  -3.079 -18.608
  371    HZ1  LYS  52           3HZ      LYS  52   6.869  -3.537 -21.047
  372    HZ2  LYS  52           1HZ      LYS  52   5.987  -4.955 -20.761
  373    HZ3  LYS  52           2HZ      LYS  52   7.530  -4.766 -20.084
  374    H    GLY  53           H        GLY  53   5.030  -2.779 -13.845
  375    HA2  GLY  53           2HA      GLY  53   7.370  -1.848 -13.993
  376    HA3  GLY  53           3HA      GLY  53   6.581  -0.318 -14.353
  377    H    ASP  54           H        ASP  54   4.419  -0.697 -12.505
  378    HA   ASP  54           HA       ASP  54   5.808   0.095 -10.079
  379    HB2  ASP  54           2HB      ASP  54   3.668   1.185 -11.176
  380    HB3  ASP  54           3HB      ASP  54   2.822  -0.081 -10.295
  381    H    VAL  55           H        VAL  55   5.037  -0.785  -7.971
  382    HA   VAL  55           HA       VAL  55   4.556  -3.689  -8.216
  383    HB   VAL  55           HB       VAL  55   6.112  -2.275  -6.038
  384   HG11  VAL  55          1HG1      VAL  55   5.029  -4.293  -5.242
  385   HG12  VAL  55          2HG1      VAL  55   6.771  -4.546  -5.361
  386   HG13  VAL  55          3HG1      VAL  55   5.696  -5.211  -6.592
  387   HG21  VAL  55          3HG2      VAL  55   8.100  -3.324  -7.018
  388   HG22  VAL  55          1HG2      VAL  55   7.330  -2.208  -8.145
  389   HG23  VAL  55          2HG2      VAL  55   7.116  -3.947  -8.342
  390    H    ALA  56           H        ALA  56   2.745  -4.405  -7.283
  391    HA   ALA  56           HA       ALA  56   1.258  -2.600  -5.523
  392    HB1  ALA  56           3HB      ALA  56   0.382  -5.177  -6.828
  393    HB2  ALA  56           1HB      ALA  56   0.087  -3.558  -7.462
  394    HB3  ALA  56           2HB      ALA  56  -0.646  -4.055  -5.936
  395    H    THR  57           H        THR  57   0.121  -3.604  -3.672
  396    HA   THR  57           HA       THR  57   1.365  -5.990  -2.570
  397    HB   THR  57           HB       THR  57   2.701  -3.994  -1.766
  398    HG1  THR  57           HG1      THR  57   2.679  -5.913  -0.559
  399   HG21  THR  57          3HG2      THR  57   1.712  -2.601  -0.005
  400   HG22  THR  57          1HG2      THR  57   0.151  -3.382  -0.265
  401   HG23  THR  57          2HG2      THR  57   0.865  -2.395  -1.539
  402    H    GLU  58           H        GLU  58   0.222  -6.420  -0.336
  403    HA   GLU  58           HA       GLU  58  -2.649  -5.879  -0.709
  404    HB2  GLU  58           2HB      GLU  58  -1.655  -8.226  -1.377
  405    HB3  GLU  58           3HB      GLU  58  -1.654  -8.503   0.356
  406    HG2  GLU  58           2HG      GLU  58  -4.070  -7.794  -1.290
  407    HG3  GLU  58           3HG      GLU  58  -3.634  -9.415  -0.760
  408    H    LEU  59           H        LEU  59  -3.401  -4.824   1.016
  409    HA   LEU  59           HA       LEU  59  -1.999  -5.018   3.562
  410    HB2  LEU  59           2HB      LEU  59  -4.330  -3.293   2.722
  411    HB3  LEU  59           3HB      LEU  59  -3.515  -3.198   4.271
  412    HG   LEU  59           HG       LEU  59  -2.291  -2.572   1.580
  413   HD11  LEU  59          1HD1      LEU  59  -3.035  -0.796   3.899
  414   HD12  LEU  59          2HD1      LEU  59  -3.847  -0.866   2.335
  415   HD13  LEU  59          3HD1      LEU  59  -2.186  -0.286   2.441
  416   HD21  LEU  59          3HD2      LEU  59  -1.098  -2.417   4.345
  417   HD22  LEU  59          1HD2      LEU  59  -0.343  -1.833   2.862
  418   HD23  LEU  59          2HD2      LEU  59  -0.646  -3.556   3.077
  419    HA   PRO  60           HA       PRO  60  -4.512  -8.180   5.190
  420    HB2  PRO  60           2HB      PRO  60  -4.441  -7.573   7.855
  421    HB3  PRO  60           3HB      PRO  60  -3.101  -8.307   6.969
  422    HG2  PRO  60           2HG      PRO  60  -3.539  -5.437   7.694
  423    HG3  PRO  60           3HG      PRO  60  -2.055  -6.403   7.797
  424    HD2  PRO  60           2HD      PRO  60  -2.469  -4.686   5.781
  425    HD3  PRO  60           3HD      PRO  60  -1.643  -6.238   5.521
  426    H    CYS  61           H        CYS  61  -5.792  -5.263   4.804
  427    HA   CYS  61           HA       CYS  61  -8.272  -5.949   6.241
  428    HB2  CYS  61           2HB      CYS  61  -8.848  -3.564   6.145
  429    HB3  CYS  61           3HB      CYS  61  -7.314  -3.805   6.973
  430    H    HIS  62           H        HIS  62  -7.051  -6.671   3.545
  431    HA   HIS  62           HA       HIS  62  -7.729  -7.126   1.443
  432    HB2  HIS  62           2HB      HIS  62 -10.460  -6.343   2.479
  433    HB3  HIS  62           3HB      HIS  62 -10.163  -7.050   0.896
  434    HD1  HIS  62           HD1      HIS  62  -9.520  -9.568   0.817
  435    HD2  HIS  62           HD2      HIS  62 -10.381  -8.116   4.621
  436    HE1  HIS  62           HE1      HIS  62  -9.804 -11.597   2.271
  437    HE2  HIS  62           HE2      HIS  62 -10.168 -10.697   4.598
  438    H    HIS  63           H        HIS  63  -6.370  -5.296   0.938
  439    HA   HIS  63           HA       HIS  63  -7.733  -3.429  -0.755
  440    HB2  HIS  63           2HB      HIS  63  -6.801  -2.556   1.918
  441    HB3  HIS  63           3HB      HIS  63  -6.332  -1.519   0.574
  442    HD2  HIS  63           HD2      HIS  63  -9.206  -1.777  -1.089
  443    HE1  HIS  63           HE1      HIS  63 -10.824  -0.026   2.416
  444    HE2  HIS  63           HE2      HIS  63 -11.272  -0.693   0.030
  445    H    TYR  64           H        TYR  64  -6.505  -3.263  -2.482
  446    HA   TYR  64           HA       TYR  64  -3.661  -3.895  -2.256
  447    HB2  TYR  64           2HB      TYR  64  -5.547  -3.859  -4.612
  448    HB3  TYR  64           3HB      TYR  64  -3.810  -4.074  -4.778
  449    HD1  TYR  64           HD1      TYR  64  -6.766  -5.552  -3.038
  450    HD2  TYR  64           HD2      TYR  64  -2.919  -6.205  -4.727
  451    HE1  TYR  64           HE1      TYR  64  -7.046  -7.972  -2.722
  452    HE2  TYR  64           HE2      TYR  64  -3.186  -8.626  -4.414
  453    HH   TYR  64           HH       TYR  64  -4.454 -10.176  -3.056
  454    H    PHE  65           H        PHE  65  -2.124  -2.474  -2.650
  455    HA   PHE  65           HA       PHE  65  -2.663  -0.006  -4.115
  456    HB2  PHE  65           2HB      PHE  65  -1.469  -0.070  -1.326
  457    HB3  PHE  65           3HB      PHE  65  -1.459   1.336  -2.383
  458    HD1  PHE  65           HD2      PHE  65  -3.681   2.306  -3.099
  459    HD2  PHE  65           HD1      PHE  65  -3.280  -0.513   0.061
  460    HE1  PHE  65           HE2      PHE  65  -5.879   2.976  -2.226
  461    HE2  PHE  65           HE1      PHE  65  -5.477   0.151   0.938
  462    HZ   PHE  65           HZ       PHE  65  -6.780   1.898  -0.205
  463    H    HIS  66           H        HIS  66  -0.381   1.182  -4.325
  464    HA   HIS  66           HA       HIS  66   1.500  -0.855  -5.170
  465    HB2  HIS  66           2HB      HIS  66   1.759   2.155  -5.192
  466    HB3  HIS  66           3HB      HIS  66   2.924   1.036  -5.880
  467    HD2  HIS  66           HD2      HIS  66   1.136  -0.766  -7.796
  468    HE1  HIS  66           HE1      HIS  66  -0.347   2.896  -9.350
  469    HE2  HIS  66           HE2      HIS  66   0.121   0.471  -9.826
  470    H    LYS  67           H        LYS  67   3.209  -1.533  -4.020
  471    HA   LYS  67           HA       LYS  67   3.298  -1.111  -1.273
  472    HB2  LYS  67           2HB      LYS  67   4.217  -3.111  -2.268
  473    HB3  LYS  67           3HB      LYS  67   5.448  -2.180  -3.103
  474    HG2  LYS  67           2HG      LYS  67   6.430  -1.548  -0.956
  475    HG3  LYS  67           3HG      LYS  67   5.196  -2.492  -0.119
  476    HD2  LYS  67           2HD      LYS  67   6.015  -4.529  -1.085
  477    HD3  LYS  67           3HD      LYS  67   7.131  -3.641  -2.126
  478    HE2  LYS  67           2HE      LYS  67   8.342  -2.847  -0.161
  479    HE3  LYS  67           3HE      LYS  67   7.218  -3.711   0.889
  480    HZ1  LYS  67           3HZ      LYS  67   8.010  -5.771   0.132
  481    HZ2  LYS  67           1HZ      LYS  67   9.399  -4.841   0.417
  482    HZ3  LYS  67           2HZ      LYS  67   8.849  -5.085  -1.173
  483    HA   PRO  68           HA       PRO  68   7.188   1.777  -1.962
  484    HB2  PRO  68           2HB      PRO  68   6.448   2.957  -4.584
  485    HB3  PRO  68           3HB      PRO  68   8.041   2.543  -3.942
  486    HG2  PRO  68           2HG      PRO  68   6.909   1.028  -5.808
  487    HG3  PRO  68           3HG      PRO  68   7.815   0.293  -4.472
  488    HD2  PRO  68           2HD      PRO  68   4.856   0.531  -4.853
  489    HD3  PRO  68           3HD      PRO  68   5.807  -0.830  -4.229
  490    H    CYS  69           H        CYS  69   4.073   2.755  -3.441
  491    HA   CYS  69           HA       CYS  69   4.368   5.413  -2.368
  492    HB2  CYS  69           2HB      CYS  69   2.216   5.914  -3.400
  493    HB3  CYS  69           3HB      CYS  69   3.295   5.131  -4.542
  494    H    VAL  70           H        VAL  70   2.583   2.498  -1.486
  495    HA   VAL  70           HA       VAL  70   1.041   3.836   0.531
  496    HB   VAL  70           HB       VAL  70   0.400   1.625  -0.531
  497   HG11  VAL  70          1HG1      VAL  70   2.524   0.467  -0.360
  498   HG12  VAL  70          2HG1      VAL  70   1.265  -0.422   0.497
  499   HG13  VAL  70          3HG1      VAL  70   2.440   0.534   1.401
  500   HG21  VAL  70          3HG2      VAL  70   0.436   1.783   2.480
  501   HG22  VAL  70          1HG2      VAL  70  -0.623   0.751   1.518
  502   HG23  VAL  70          2HG2      VAL  70  -0.763   2.505   1.407
  503    H    SER  71           H        SER  71   4.177   2.319   0.356
  504    HA   SER  71           HA       SER  71   4.795   2.127   3.068
  505    HB2  SER  71           2HB      SER  71   6.214   1.227   1.234
  506    HB3  SER  71           3HB      SER  71   6.666   2.875   0.800
  507    HG   SER  71           HG       SER  71   8.267   2.304   2.124
  508    H    ILE  72           H        ILE  72   5.045   4.847   0.821
  509    HA   ILE  72           HA       ILE  72   6.278   6.725   2.460
  510    HB   ILE  72           HB       ILE  72   4.116   7.219   0.402
  511   HG12  ILE  72          2HG1      ILE  72   7.127   7.277   0.096
  512   HG13  ILE  72          3HG1      ILE  72   6.092   5.959  -0.443
  513   HG21  ILE  72          1HG2      ILE  72   4.425   9.151   1.827
  514   HG22  ILE  72          2HG2      ILE  72   5.099   9.470   0.229
  515   HG23  ILE  72          3HG2      ILE  72   6.170   9.088   1.576
  516   HD11  ILE  72          3HD1      ILE  72   6.712   7.416  -2.285
  517   HD12  ILE  72          1HD1      ILE  72   5.998   8.793  -1.448
  518   HD13  ILE  72          2HD1      ILE  72   4.972   7.468  -1.996
  519    H    TRP  73           H        TRP  73   2.835   5.993   2.073
  520    HA   TRP  73           HA       TRP  73   1.940   7.940   3.936
  521    HB2  TRP  73           2HB      TRP  73   0.513   7.060   2.136
  522    HB3  TRP  73           3HB      TRP  73   0.549   5.466   2.879
  523    HD1  TRP  73           HD1      TRP  73  -0.843   5.163   5.177
  524    HE1  TRP  73           HE1      TRP  73  -2.875   6.445   6.110
  525    HE3  TRP  73           HE3      TRP  73  -0.585   9.335   2.231
  526    HZ2  TRP  73           HZ2      TRP  73  -4.194   8.895   5.640
  527    HZ3  TRP  73           HZ3      TRP  73  -2.275  11.097   2.535
  528    HH2  TRP  73           HH2      TRP  73  -4.040  10.879   4.203
  529    H    LEU  74           H        LEU  74   2.466   4.430   4.147
  530    HA   LEU  74           HA       LEU  74   1.447   4.101   6.746
  531    HB2  LEU  74           2HB      LEU  74   3.475   2.473   5.225
  532    HB3  LEU  74           3HB      LEU  74   2.777   1.983   6.756
  533    HG   LEU  74           HG       LEU  74   1.208   2.449   4.217
  534   HD11  LEU  74          1HD1      LEU  74   0.958   0.014   4.182
  535   HD12  LEU  74          2HD1      LEU  74   2.035  -0.116   5.572
  536   HD13  LEU  74          3HD1      LEU  74   2.649   0.494   4.035
  537   HD21  LEU  74          3HD2      LEU  74  -0.633   1.417   5.444
  538   HD22  LEU  74          1HD2      LEU  74  -0.082   2.887   6.246
  539   HD23  LEU  74          2HD2      LEU  74   0.378   1.307   6.883
  540    H    GLN  75           H        GLN  75   4.686   4.940   5.627
  541    HA   GLN  75           HA       GLN  75   6.028   4.555   8.078
  542    HB2  GLN  75           2HB      GLN  75   6.629   6.281   5.690
  543    HB3  GLN  75           3HB      GLN  75   7.685   6.238   7.094
  544    HG2  GLN  75           2HG      GLN  75   8.104   3.897   6.776
  545    HG3  GLN  75           3HG      GLN  75   6.923   3.827   5.467
  546   HE21  GLN  75          1HE2      GLN  75   7.421   4.730   3.485
  547   HE22  GLN  75          2HE2      GLN  75   9.041   5.130   3.026
  548    H    LYS  76           H        LYS  76   3.770   6.935   7.186
  549    HA   LYS  76           HA       LYS  76   4.704   8.683   9.367
  550    HB2  LYS  76           2HB      LYS  76   3.199   9.454   6.864
  551    HB3  LYS  76           3HB      LYS  76   3.591  10.549   8.181
  552    HG2  LYS  76           2HG      LYS  76   5.944  10.312   7.750
  553    HG3  LYS  76           3HG      LYS  76   5.633   9.076   6.530
  554    HD2  LYS  76           2HD      LYS  76   4.771  11.967   6.398
  555    HD3  LYS  76           3HD      LYS  76   6.085  11.228   5.480
  556    HE2  LYS  76           2HE      LYS  76   4.495   9.748   4.372
  557    HE3  LYS  76           3HE      LYS  76   3.177  10.446   5.310
  558    HZ1  LYS  76           3HZ      LYS  76   3.233  11.402   3.124
  559    HZ2  LYS  76           1HZ      LYS  76   4.855  11.864   3.310
  560    HZ3  LYS  76           2HZ      LYS  76   3.647  12.593   4.257
  561    H    SER  77           H        SER  77   1.727   7.889   7.559
  562    HA   SER  77           HA       SER  77   0.134   8.739   9.832
  563    HB2  SER  77           2HB      SER  77  -0.815   7.674   7.169
  564    HB3  SER  77           3HB      SER  77  -1.734   8.632   8.331
  565    HG   SER  77           HG       SER  77  -0.039  10.289   7.960
  566    H    GLY  78           H        GLY  78   1.182   5.796   8.328
  567    HA2  GLY  78           2HA      GLY  78   0.896   3.588   8.875
  568    HA3  GLY  78           3HA      GLY  78   0.545   4.170  10.495
  569    H    THR  79           H        THR  79  -1.269   4.620   7.472
  570    HA   THR  79           HA       THR  79  -3.441   2.997   8.564
  571    HB   THR  79           HB       THR  79  -4.961   4.946   7.596
  572    HG1  THR  79           HG1      THR  79  -2.901   6.508   8.723
  573   HG21  THR  79          3HG2      THR  79  -3.674   5.033  10.328
  574   HG22  THR  79          1HG2      THR  79  -5.093   4.088   9.874
  575   HG23  THR  79          2HG2      THR  79  -5.169   5.850   9.871
  576    H    CYS  80           H        CYS  80  -5.146   2.571   6.960
  577    HA   CYS  80           HA       CYS  80  -4.056   2.336   4.250
  578    HB2  CYS  80           2HB      CYS  80  -5.058   0.357   5.390
  579    HB3  CYS  80           3HB      CYS  80  -6.594   1.196   5.441
  580    HA   PRO  81           HA       PRO  81  -5.820   6.442   3.659
  581    HB2  PRO  81           2HB      PRO  81  -5.751   5.349   0.868
  582    HB3  PRO  81           3HB      PRO  81  -5.320   6.961   1.451
  583    HG2  PRO  81           2HG      PRO  81  -3.439   5.128   0.971
  584    HG3  PRO  81           3HG      PRO  81  -3.304   6.254   2.332
  585    HD2  PRO  81           2HD      PRO  81  -3.841   3.354   2.342
  586    HD3  PRO  81           3HD      PRO  81  -3.206   4.390   3.635
  587    H    VAL  82           H        VAL  82  -7.269   3.774   1.760
  588    HA   VAL  82           HA       VAL  82  -9.639   5.239   1.198
  589    HB   VAL  82           HB       VAL  82  -9.100   2.279   0.911
  590   HG11  VAL  82          1HG1      VAL  82 -11.499   2.760   0.917
  591   HG12  VAL  82          2HG1      VAL  82 -10.946   2.280  -0.688
  592   HG13  VAL  82          3HG1      VAL  82 -11.259   3.979  -0.335
  593   HG21  VAL  82          3HG2      VAL  82  -7.545   3.646  -0.361
  594   HG22  VAL  82          1HG2      VAL  82  -8.889   4.542  -1.069
  595   HG23  VAL  82          2HG2      VAL  82  -8.677   2.831  -1.442
  596    H    CYS  83           H        CYS  83  -8.753   3.198   3.884
  597    HA   CYS  83           HA       CYS  83 -11.572   3.265   4.751
  598    HB2  CYS  83           2HB      CYS  83 -11.226   1.141   5.934
  599    HB3  CYS  83           3HB      CYS  83 -10.943   0.969   4.207
  600    H    ARG  84           H        ARG  84  -8.254   3.750   5.580
  601    HA   ARG  84           HA       ARG  84  -7.267   4.987   7.164
  602    HB2  ARG  84           2HB      ARG  84 -10.113   5.723   7.761
  603    HB3  ARG  84           3HB      ARG  84  -8.810   6.265   8.811
  604    HG2  ARG  84           2HG      ARG  84  -7.768   7.451   7.028
  605    HG3  ARG  84           3HG      ARG  84  -8.871   6.751   5.845
  606    HD2  ARG  84           2HD      ARG  84  -9.789   8.474   8.132
  607    HD3  ARG  84           3HD      ARG  84  -9.351   9.127   6.553
  608    HE   ARG  84           HE       ARG  84 -11.608   7.305   7.082
  609   HH11  ARG  84          1HH1      ARG  84  -9.967   9.633   5.065
  610   HH12  ARG  84          2HH1      ARG  84 -11.293   9.831   3.966
  611   HH21  ARG  84          1HH2      ARG  84 -13.372   7.534   5.630
  612   HH22  ARG  84          2HH2      ARG  84 -13.227   8.627   4.274
  613    H    CYS  85           H        CYS  85  -8.558   2.169   7.605
  614    HA   CYS  85           HA       CYS  85  -8.298   1.816  10.413
  615    HB2  CYS  85           2HB      CYS  85  -7.841  -0.196   8.196
  616    HB3  CYS  85           3HB      CYS  85  -8.121  -0.566   9.895
  617    HG   CYS  85           HG       CYS  85 -10.740   0.678   9.781
  618    H    MET  86           H        MET  86  -6.465   1.084  11.569
  619    HA   MET  86           HA       MET  86  -4.065   2.323  10.581
  620    HB2  MET  86           2HB      MET  86  -4.764   2.615  12.906
  621    HB3  MET  86           3HB      MET  86  -4.603   0.886  13.182
  622    HG2  MET  86           2HG      MET  86  -2.214   1.024  12.772
  623    HG3  MET  86           3HG      MET  86  -2.358   2.745  12.436
  624    HE1  MET  86           3HE      MET  86  -3.061   0.812  16.556
  625    HE2  MET  86           1HE      MET  86  -2.493  -0.065  15.137
  626    HE3  MET  86           2HE      MET  86  -4.138   0.568  15.182
  627    H    PHE  87           H        PHE  87  -2.084   1.408  10.239
  628    HA   PHE  87           HA       PHE  87  -1.855  -1.520  10.353
  629    HB2  PHE  87           2HB      PHE  87  -2.199  -0.911   7.996
  630    HB3  PHE  87           3HB      PHE  87  -0.887   0.259   8.093
  631    HD1  PHE  87           HD1      PHE  87  -1.707  -3.330   8.174
  632    HD2  PHE  87           HD2      PHE  87   1.365  -0.408   7.844
  633    HE1  PHE  87           HE1      PHE  87  -0.115  -5.084   7.511
  634    HE2  PHE  87           HE2      PHE  87   2.965  -2.153   7.179
  635    HZ   PHE  87           HZ       PHE  87   2.225  -4.497   7.011
  636    HA   PRO  88           HA       PRO  88  -0.337  -3.093  10.773
  637    HB2  PRO  88           2HB      PRO  88   0.271  -3.913  13.307
  638    HB3  PRO  88           3HB      PRO  88   1.429  -3.916  11.972
  639    HG2  PRO  88           2HG      PRO  88   1.071  -1.915  14.166
  640    HG3  PRO  88           3HG      PRO  88   2.570  -2.569  13.479
  641    HD2  PRO  88           2HD      PRO  88   1.624  -0.131  12.802
  642    HD3  PRO  88           3HD      PRO  88   2.496  -1.161  11.648
  643    HA   PRO  89           HA       PRO  89  -4.434  -2.623  12.162
  644    HB2  PRO  89           2HB      PRO  89  -4.947  -5.272  12.869
  645    HB3  PRO  89           3HB      PRO  89  -5.110  -4.585  11.251
  646    HG2  PRO  89           2HG      PRO  89  -2.857  -6.150  12.428
  647    HG3  PRO  89           3HG      PRO  89  -3.523  -6.198  10.785
  648    HD2  PRO  89           2HD      PRO  89  -1.227  -4.937  11.303
  649    HD3  PRO  89           3HD      PRO  89  -2.393  -4.268  10.141
  650    HA   PRO  90           HA       PRO  90  -4.166  -2.253  16.585
  651    HB2  PRO  90           2HB      PRO  90  -6.675  -1.336  17.007
  652    HB3  PRO  90           3HB      PRO  90  -5.399  -0.326  16.315
  653    HG2  PRO  90           2HG      PRO  90  -7.632  -1.765  14.945
  654    HG3  PRO  90           3HG      PRO  90  -6.986  -0.145  14.633
  655    HD2  PRO  90           2HD      PRO  90  -6.358  -2.336  13.130
  656    HD3  PRO  90           3HD      PRO  90  -5.277  -0.945  13.334
  657    H    LEU  91           H        LEU  91  -4.890  -3.344  18.413
  658    HA   LEU  91           HA       LEU  91  -6.587  -5.679  17.883
  659    HB2  LEU  91           2HB      LEU  91  -4.700  -5.175  20.187
  660    HB3  LEU  91           3HB      LEU  91  -5.590  -6.656  19.891
  661    HG   LEU  91           HG       LEU  91  -3.383  -5.539  18.159
  662   HD11  LEU  91          1HD1      LEU  91  -2.570  -6.454  20.258
  663   HD12  LEU  91          2HD1      LEU  91  -2.135  -7.503  18.908
  664   HD13  LEU  91          3HD1      LEU  91  -3.469  -7.945  19.972
  665   HD21  LEU  91          3HD2      LEU  91  -5.063  -6.704  16.827
  666   HD22  LEU  91          1HD2      LEU  91  -4.955  -8.101  17.899
  667   HD23  LEU  91          2HD2      LEU  91  -3.567  -7.633  16.915
  Start of MODEL   19
    1    H1   MET   1           1H       MET   1 -11.130  25.366  28.686
    2    H2   MET   1           2H       MET   1 -11.993  23.929  28.465
    3    H3   MET   1           3H       MET   1 -12.611  25.388  27.863
    4    HA   MET   1           HA       MET   1 -11.659  24.022  26.102
    5    HB2  MET   1           2HB      MET   1 -10.098  26.538  26.745
    6    HB3  MET   1           3HB      MET   1 -10.098  25.735  25.183
    7    HG2  MET   1           2HG      MET   1 -12.513  26.924  26.523
    8    HG3  MET   1           3HG      MET   1 -11.564  27.698  25.256
    9    HE1  MET   1           3HE      MET   1 -13.784  28.061  23.830
   10    HE2  MET   1           1HE      MET   1 -14.720  27.290  25.110
   11    HE3  MET   1           2HE      MET   1 -14.911  26.763  23.437
   12    H    GLY   2           H        GLY   2  -9.430  23.598  25.048
   13    HA2  GLY   2           2HA      GLY   2  -7.773  22.177  26.956
   14    HA3  GLY   2           3HA      GLY   2  -7.555  22.220  25.209
   15    H    HIS   3           H        HIS   3  -5.239  22.444  26.087
   16    HA   HIS   3           HA       HIS   3  -4.338  24.814  27.248
   17    HB2  HIS   3           2HB      HIS   3  -3.096  22.613  25.734
   18    HB3  HIS   3           3HB      HIS   3  -2.226  24.144  25.668
   19    HD1  HIS   3           HD1      HIS   3  -1.694  21.292  27.341
   20    HD2  HIS   3           HD2      HIS   3  -2.589  25.106  28.743
   21    HE1  HIS   3           HE1      HIS   3  -0.835  21.369  29.709
   22    HE2  HIS   3           HE2      HIS   3  -1.167  23.764  30.430
   23    H    HIS   4           H        HIS   4  -3.858  24.029  23.794
   24    HA   HIS   4           HA       HIS   4  -5.125  26.486  23.025
   25    HB2  HIS   4           2HB      HIS   4  -2.840  27.272  23.640
   26    HB3  HIS   4           3HB      HIS   4  -2.178  26.195  22.412
   27    HD1  HIS   4           HD1      HIS   4  -2.134  27.038  20.039
   28    HD2  HIS   4           HD2      HIS   4  -4.457  29.408  22.553
   29    HE1  HIS   4           HE1      HIS   4  -2.789  29.050  18.670
   30    HE2  HIS   4           HE2      HIS   4  -4.305  30.400  20.167
   31    H    HIS   5           H        HIS   5  -6.254  25.982  21.353
   32    HA   HIS   5           HA       HIS   5  -5.215  25.074  18.928
   33    HB2  HIS   5           2HB      HIS   5  -6.288  22.859  18.732
   34    HB3  HIS   5           3HB      HIS   5  -5.052  22.864  19.981
   35    HD1  HIS   5           HD1      HIS   5  -5.741  22.108  22.271
   36    HD2  HIS   5           HD2      HIS   5  -8.997  22.834  19.779
   37    HE1  HIS   5           HE1      HIS   5  -7.754  21.263  23.516
   38    HE2  HIS   5           HE2      HIS   5  -9.682  21.554  21.924
   39    H    HIS   6           H        HIS   6  -6.808  25.179  17.273
   40    HA   HIS   6           HA       HIS   6  -9.148  26.665  18.061
   41    HB2  HIS   6           2HB      HIS   6  -9.666  26.658  15.585
   42    HB3  HIS   6           3HB      HIS   6  -8.165  27.439  16.052
   43    HD1  HIS   6           HD1      HIS   6  -5.938  26.214  15.399
   44    HD2  HIS   6           HD2      HIS   6  -9.415  24.506  13.873
   45    HE1  HIS   6           HE1      HIS   6  -5.188  24.662  13.565
   46    HE2  HIS   6           HE2      HIS   6  -7.314  23.745  12.567
   47    H    HIS   7           H        HIS   7 -11.303  25.977  16.909
   48    HA   HIS   7           HA       HIS   7 -11.995  23.727  18.516
   49    HB2  HIS   7           2HB      HIS   7 -13.630  25.490  16.703
   50    HB3  HIS   7           3HB      HIS   7 -14.327  24.176  17.642
   51    HD1  HIS   7           HD1      HIS   7 -15.662  25.461  19.327
   52    HD2  HIS   7           HD2      HIS   7 -11.747  26.825  19.036
   53    HE1  HIS   7           HE1      HIS   7 -15.385  27.122  21.189
   54    HE2  HIS   7           HE2      HIS   7 -13.098  28.119  20.821
   55    H    HIS   8           H        HIS   8 -10.585  23.523  15.650
   56    HA   HIS   8           HA       HIS   8 -11.936  20.986  15.088
   57    HB2  HIS   8           2HB      HIS   8 -11.112  23.024  13.015
   58    HB3  HIS   8           3HB      HIS   8 -11.490  21.351  12.632
   59    HD1  HIS   8           HD1      HIS   8 -14.042  20.734  13.892
   60    HD2  HIS   8           HD2      HIS   8 -13.247  24.557  12.448
   61    HE1  HIS   8           HE1      HIS   8 -16.290  21.802  13.518
   62    HE2  HIS   8           HE2      HIS   8 -15.789  24.079  12.553
   63    H    SER   9           H        SER   9 -10.498  19.470  15.541
   64    HA   SER   9           HA       SER   9  -7.833  19.685  14.386
   65    HB2  SER   9           2HB      SER   9  -7.816  20.514  16.810
   66    HB3  SER   9           3HB      SER   9  -8.179  18.852  17.272
   67    HG   SER   9           HG       SER   9  -6.116  18.524  17.134
   68    H    HIS  10           H        HIS  10  -7.133  17.784  13.583
   69    HA   HIS  10           HA       HIS  10  -8.935  15.506  13.777
   70    HB2  HIS  10           2HB      HIS  10  -6.495  16.042  12.075
   71    HB3  HIS  10           3HB      HIS  10  -7.371  14.518  12.049
   72    HD1  HIS  10           HD1      HIS  10  -8.065  14.785   9.600
   73    HD2  HIS  10           HD2      HIS  10  -9.345  17.897  12.046
   74    HE1  HIS  10           HE1      HIS  10  -9.732  16.084   8.237
   75    HE2  HIS  10           HE2      HIS  10 -10.273  18.106   9.638
   76    H    MET  11           H        MET  11  -8.657  13.995  15.255
   77    HA   MET  11           HA       MET  11  -6.218  13.748  16.744
   78    HB2  MET  11           2HB      MET  11  -8.819  12.239  16.720
   79    HB3  MET  11           3HB      MET  11  -7.443  11.645  17.637
   80    HG2  MET  11           2HG      MET  11  -8.889  12.880  19.093
   81    HG3  MET  11           3HG      MET  11  -7.386  13.772  18.878
   82    HE1  MET  11           3HE      MET  11 -10.041  15.036  20.114
   83    HE2  MET  11           1HE      MET  11 -10.045  16.610  19.319
   84    HE3  MET  11           2HE      MET  11  -8.531  15.925  19.912
   85    H    VAL  12           H        VAL  12  -4.784  11.976  16.747
   86    HA   VAL  12           HA       VAL  12  -4.824  10.442  14.237
   87    HB   VAL  12           HB       VAL  12  -2.381  11.165  15.862
   88   HG11  VAL  12          1HG1      VAL  12  -2.119   9.131  14.553
   89   HG12  VAL  12          2HG1      VAL  12  -1.143  10.435  13.878
   90   HG13  VAL  12          3HG1      VAL  12  -2.660   9.978  13.103
   91   HG21  VAL  12          3HG2      VAL  12  -1.864  12.774  14.087
   92   HG22  VAL  12          1HG2      VAL  12  -3.365  13.181  14.918
   93   HG23  VAL  12          2HG2      VAL  12  -3.416  12.426  13.324
   94    H    ALA  13           H        ALA  13  -6.014   8.719  15.115
   95    HA   ALA  13           HA       ALA  13  -4.790   7.207  17.298
   96    HB1  ALA  13           3HB      ALA  13  -6.791   5.813  17.200
   97    HB2  ALA  13           1HB      ALA  13  -7.344   6.692  15.775
   98    HB3  ALA  13           2HB      ALA  13  -7.219   7.520  17.327
   99    H    ASN  14           H        ASN  14  -4.201   7.514  14.163
  100    HA   ASN  14           HA       ASN  14  -3.804   4.666  13.603
  101    HB2  ASN  14           2HB      ASN  14  -3.624   7.085  11.786
  102    HB3  ASN  14           3HB      ASN  14  -3.334   5.423  11.279
  103   HD21  ASN  14          1HD2      ASN  14  -5.056   4.043  11.002
  104   HD22  ASN  14          2HD2      ASN  14  -6.696   4.585  10.986
  105    HA   PRO  15           HA       PRO  15   0.437   5.604  14.812
  106    HB2  PRO  15           2HB      PRO  15   1.246   3.032  15.015
  107    HB3  PRO  15           3HB      PRO  15   0.288   3.826  16.270
  108    HG2  PRO  15           2HG      PRO  15  -0.597   1.949  14.114
  109    HG3  PRO  15           3HG      PRO  15  -1.085   2.009  15.817
  110    HD2  PRO  15           2HD      PRO  15  -2.590   3.042  13.793
  111    HD3  PRO  15           3HD      PRO  15  -2.616   3.681  15.449
  112    HA   PRO  16           HA       PRO  16   2.448   5.183  10.846
  113    HB2  PRO  16           2HB      PRO  16   4.982   5.278  12.343
  114    HB3  PRO  16           3HB      PRO  16   4.351   6.401  11.134
  115    HG2  PRO  16           2HG      PRO  16   4.495   7.055  13.737
  116    HG3  PRO  16           3HG      PRO  16   3.180   7.632  12.697
  117    HD2  PRO  16           2HD      PRO  16   3.178   5.399  14.692
  118    HD3  PRO  16           3HD      PRO  16   1.930   6.623  14.368
  119    H    ALA  17           H        ALA  17   3.460   3.570   9.675
  120    HA   ALA  17           HA       ALA  17   3.466   0.983  10.933
  121    HB1  ALA  17           3HB      ALA  17   2.592   1.339   8.653
  122    HB2  ALA  17           1HB      ALA  17   3.851   0.105   8.720
  123    HB3  ALA  17           2HB      ALA  17   4.229   1.716   8.114
  124    H    SER  18           H        SER  18   5.202  -0.416  11.143
  125    HA   SER  18           HA       SER  18   7.729   0.811  11.673
  126    HB2  SER  18           2HB      SER  18   6.874  -1.085  13.018
  127    HB3  SER  18           3HB      SER  18   6.962  -2.124  11.597
  128    HG   SER  18           HG       SER  18   9.030  -1.042  13.164
  129    H    LYS  19           H        LYS  19   9.722   0.295  10.653
  130    HA   LYS  19           HA       LYS  19   9.700   0.356   7.853
  131    HB2  LYS  19           2HB      LYS  19  11.580   0.956   9.544
  132    HB3  LYS  19           3HB      LYS  19  12.010  -0.745   9.434
  133    HG2  LYS  19           2HG      LYS  19  12.092  -0.362   6.901
  134    HG3  LYS  19           3HG      LYS  19  12.112   1.356   7.302
  135    HD2  LYS  19           2HD      LYS  19  14.122  -0.753   8.056
  136    HD3  LYS  19           3HD      LYS  19  14.378   0.683   7.068
  137    HE2  LYS  19           2HE      LYS  19  13.714   0.671  10.008
  138    HE3  LYS  19           3HE      LYS  19  15.319   0.921   9.326
  139    HZ1  LYS  19           3HZ      LYS  19  14.314   3.011   9.900
  140    HZ2  LYS  19           1HZ      LYS  19  12.953   2.684   8.944
  141    HZ3  LYS  19           2HZ      LYS  19  14.467   2.913   8.218
  142    H    GLU  20           H        GLU  20   9.991  -2.288  10.138
  143    HA   GLU  20           HA       GLU  20  10.614  -4.304   8.238
  144    HB2  GLU  20           2HB      GLU  20   9.396  -4.563  10.993
  145    HB3  GLU  20           3HB      GLU  20  10.091  -5.876  10.055
  146    HG2  GLU  20           2HG      GLU  20  11.532  -3.500  11.198
  147    HG3  GLU  20           3HG      GLU  20  11.670  -5.184  11.705
  148    H    SER  21           H        SER  21   7.646  -2.898   9.406
  149    HA   SER  21           HA       SER  21   5.892  -4.938   8.528
  150    HB2  SER  21           2HB      SER  21   5.274  -1.983   8.771
  151    HB3  SER  21           3HB      SER  21   4.129  -3.324   8.845
  152    HG   SER  21           HG       SER  21   5.650  -3.992  10.701
  153    H    ILE  22           H        ILE  22   7.261  -2.072   7.017
  154    HA   ILE  22           HA       ILE  22   5.836  -2.401   4.542
  155    HB   ILE  22           HB       ILE  22   8.330  -0.775   5.083
  156   HG12  ILE  22          2HG1      ILE  22   5.428   0.091   5.174
  157   HG13  ILE  22          3HG1      ILE  22   6.439  -0.187   6.587
  158   HG21  ILE  22          1HG2      ILE  22   6.259  -0.584   2.896
  159   HG22  ILE  22          2HG2      ILE  22   7.918  -1.155   2.714
  160   HG23  ILE  22          3HG2      ILE  22   7.607   0.530   3.131
  161   HD11  ILE  22          3HD1      ILE  22   7.919   1.622   5.882
  162   HD12  ILE  22          1HD1      ILE  22   6.258   2.177   6.093
  163   HD13  ILE  22          2HD1      ILE  22   6.896   1.905   4.473
  164    H    ASP  23           H        ASP  23   8.969  -3.277   5.832
  165    HA   ASP  23           HA       ASP  23  10.230  -4.118   3.471
  166    HB2  ASP  23           2HB      ASP  23  11.455  -3.743   5.541
  167    HB3  ASP  23           3HB      ASP  23  10.590  -5.059   6.323
  168    H    ALA  24           H        ALA  24   8.046  -5.774   5.671
  169    HA   ALA  24           HA       ALA  24   8.417  -8.314   4.309
  170    HB1  ALA  24           3HB      ALA  24   7.006  -9.247   6.046
  171    HB2  ALA  24           1HB      ALA  24   6.636  -7.629   6.641
  172    HB3  ALA  24           2HB      ALA  24   8.282  -8.254   6.752
  173    H    LEU  25           H        LEU  25   6.697  -5.693   3.500
  174    HA   LEU  25           HA       LEU  25   4.119  -6.794   2.988
  175    HB2  LEU  25           2HB      LEU  25   5.551  -4.385   1.888
  176    HB3  LEU  25           3HB      LEU  25   3.941  -4.839   1.366
  177    HG   LEU  25           HG       LEU  25   4.738  -4.096   4.181
  178   HD11  LEU  25          1HD1      LEU  25   4.720  -2.193   2.665
  179   HD12  LEU  25          2HD1      LEU  25   3.362  -2.115   3.788
  180   HD13  LEU  25          3HD1      LEU  25   3.099  -2.627   2.121
  181   HD21  LEU  25          3HD2      LEU  25   2.322  -4.168   4.636
  182   HD22  LEU  25          1HD2      LEU  25   2.962  -5.749   4.187
  183   HD23  LEU  25          2HD2      LEU  25   2.048  -4.803   3.013
  184    HA   PRO  26           HA       PRO  26   5.117  -9.432  -0.438
  185    HB2  PRO  26           2HB      PRO  26   2.556  -9.480  -1.496
  186    HB3  PRO  26           3HB      PRO  26   3.144 -10.537  -0.209
  187    HG2  PRO  26           2HG      PRO  26   1.523  -8.040  -0.020
  188    HG3  PRO  26           3HG      PRO  26   1.400  -9.533   0.927
  189    HD2  PRO  26           2HD      PRO  26   2.554  -7.319   1.919
  190    HD3  PRO  26           3HD      PRO  26   3.156  -8.942   2.314
  191    H    GLU  27           H        GLU  27   5.281  -9.330  -2.732
  192    HA   GLU  27           HA       GLU  27   4.861  -6.620  -3.803
  193    HB2  GLU  27           2HB      GLU  27   7.303  -8.337  -4.285
  194    HB3  GLU  27           3HB      GLU  27   7.040  -6.693  -4.860
  195    HG2  GLU  27           2HG      GLU  27   6.994  -5.905  -2.539
  196    HG3  GLU  27           3HG      GLU  27   7.306  -7.548  -1.987
  197    H    ILE  28           H        ILE  28   3.606  -6.657  -5.501
  198    HA   ILE  28           HA       ILE  28   3.602  -9.037  -7.249
  199    HB   ILE  28           HB       ILE  28   1.279  -7.181  -6.688
  200   HG12  ILE  28          2HG1      ILE  28   1.689 -10.023  -5.733
  201   HG13  ILE  28          3HG1      ILE  28   1.934  -8.595  -4.731
  202   HG21  ILE  28          1HG2      ILE  28   1.221  -8.191  -8.907
  203   HG22  ILE  28          2HG2      ILE  28  -0.053  -8.846  -7.879
  204   HG23  ILE  28          3HG2      ILE  28   1.402  -9.792  -8.192
  205   HD11  ILE  28          3HD1      ILE  28  -0.217  -9.617  -4.290
  206   HD12  ILE  28          1HD1      ILE  28  -0.660  -9.457  -5.990
  207   HD13  ILE  28          2HD1      ILE  28  -0.426  -8.016  -4.999
  208    H    LEU  29           H        LEU  29   4.468  -8.561  -9.185
  209    HA   LEU  29           HA       LEU  29   4.750  -5.915 -10.180
  210    HB2  LEU  29           2HB      LEU  29   6.248  -7.752 -10.838
  211    HB3  LEU  29           3HB      LEU  29   4.913  -8.555 -11.643
  212    HG   LEU  29           HG       LEU  29   4.752  -6.677 -13.235
  213   HD11  LEU  29          1HD1      LEU  29   7.218  -5.650 -11.837
  214   HD12  LEU  29          2HD1      LEU  29   5.618  -4.912 -11.782
  215   HD13  LEU  29          3HD1      LEU  29   6.503  -4.985 -13.305
  216   HD21  LEU  29          3HD2      LEU  29   7.497  -7.899 -13.003
  217   HD22  LEU  29          1HD2      LEU  29   6.827  -7.148 -14.450
  218   HD23  LEU  29          2HD2      LEU  29   6.100  -8.620 -13.802
  219    H    VAL  30           H        VAL  30   3.261  -4.675 -11.097
  220    HA   VAL  30           HA       VAL  30   0.662  -5.812 -11.695
  221    HB   VAL  30           HB       VAL  30   1.557  -2.931 -11.876
  222   HG11  VAL  30          1HG1      VAL  30  -1.193  -4.164 -11.791
  223   HG12  VAL  30          2HG1      VAL  30  -0.437  -3.387 -13.183
  224   HG13  VAL  30          3HG1      VAL  30  -0.844  -2.436 -11.756
  225   HG21  VAL  30          3HG2      VAL  30   1.822  -3.788  -9.608
  226   HG22  VAL  30          1HG2      VAL  30   0.159  -4.378  -9.628
  227   HG23  VAL  30          2HG2      VAL  30   0.482  -2.644  -9.696
  228    H    THR  31           H        THR  31  -0.050  -6.311 -13.646
  229    HA   THR  31           HA       THR  31   1.238  -5.089 -15.989
  230    HB   THR  31           HB       THR  31   0.316  -7.109 -17.238
  231    HG1  THR  31           HG1      THR  31  -0.468  -8.787 -16.099
  232   HG21  THR  31          3HG2      THR  31   2.397  -7.605 -15.105
  233   HG22  THR  31          1HG2      THR  31   2.690  -6.906 -16.696
  234   HG23  THR  31          2HG2      THR  31   2.159  -8.581 -16.554
  235    H    GLU  32           H        GLU  32  -0.096  -4.193 -17.565
  236    HA   GLU  32           HA       GLU  32  -2.582  -3.185 -16.626
  237    HB2  GLU  32           2HB      GLU  32  -1.205  -3.035 -19.305
  238    HB3  GLU  32           3HB      GLU  32  -2.742  -2.244 -18.976
  239    HG2  GLU  32           2HG      GLU  32  -1.760  -0.868 -17.301
  240    HG3  GLU  32           3HG      GLU  32  -0.249  -1.769 -17.376
  241    H    ASP  33           H        ASP  33  -1.651  -5.864 -18.593
  242    HA   ASP  33           HA       ASP  33  -4.293  -6.319 -19.651
  243    HB2  ASP  33           2HB      ASP  33  -3.306  -8.343 -20.638
  244    HB3  ASP  33           3HB      ASP  33  -2.333  -6.916 -20.980
  245    H    HIS  34           H        HIS  34  -2.847  -6.855 -16.702
  246    HA   HIS  34           HA       HIS  34  -4.073  -9.353 -16.014
  247    HB2  HIS  34           2HB      HIS  34  -2.084  -8.509 -14.824
  248    HB3  HIS  34           3HB      HIS  34  -3.012  -7.137 -14.236
  249    HD1  HIS  34           HD1      HIS  34  -2.117 -10.597 -13.456
  250    HD2  HIS  34           HD2      HIS  34  -5.030  -7.868 -12.285
  251    HE1  HIS  34           HE1      HIS  34  -3.090 -11.514 -11.326
  252    HE2  HIS  34           HE2      HIS  34  -4.680  -9.732 -10.521
  253    H    GLY  35           H        GLY  35  -4.810  -5.944 -15.409
  254    HA2  GLY  35           2HA      GLY  35  -7.128  -5.212 -15.513
  255    HA3  GLY  35           3HA      GLY  35  -7.576  -6.745 -14.774
  256    H    ALA  36           H        ALA  36  -8.708  -5.439 -13.191
  257    HA   ALA  36           HA       ALA  36  -7.218  -3.711 -11.450
  258    HB1  ALA  36           3HB      ALA  36  -9.605  -3.361 -11.894
  259    HB2  ALA  36           1HB      ALA  36  -9.278  -3.550 -10.170
  260    HB3  ALA  36           2HB      ALA  36  -9.973  -4.886 -11.090
  261    H    VAL  37           H        VAL  37  -5.835  -4.424 -10.001
  262    HA   VAL  37           HA       VAL  37  -5.746  -7.149  -9.159
  263    HB   VAL  37           HB       VAL  37  -4.207  -4.789  -8.056
  264   HG11  VAL  37          1HG1      VAL  37  -4.150  -6.705  -6.568
  265   HG12  VAL  37          2HG1      VAL  37  -2.579  -6.487  -7.340
  266   HG13  VAL  37          3HG1      VAL  37  -3.670  -7.753  -7.902
  267   HG21  VAL  37          3HG2      VAL  37  -2.408  -5.491  -9.570
  268   HG22  VAL  37          1HG2      VAL  37  -3.857  -5.003 -10.451
  269   HG23  VAL  37          2HG2      VAL  37  -3.477  -6.714 -10.259
  270    H    GLY  38           H        GLY  38  -7.560  -7.683  -8.022
  271    HA2  GLY  38           2HA      GLY  38  -8.605  -8.071  -5.987
  272    HA3  GLY  38           3HA      GLY  38  -7.618  -6.808  -5.268
  273    H    GLN  39           H        GLN  39  -9.185  -5.679  -4.240
  274    HA   GLN  39           HA       GLN  39 -11.652  -5.008  -5.593
  275    HB2  GLN  39           2HB      GLN  39 -12.389  -4.112  -3.489
  276    HB3  GLN  39           3HB      GLN  39 -11.606  -5.652  -3.184
  277    HG2  GLN  39           2HG      GLN  39 -10.270  -2.978  -2.823
  278    HG3  GLN  39           3HG      GLN  39 -11.079  -3.861  -1.534
  279   HE21  GLN  39          1HE2      GLN  39 -10.179  -6.470  -2.426
  280   HE22  GLN  39          2HE2      GLN  39  -8.492  -6.556  -2.042
  281    H    GLU  40           H        GLU  40  -8.617  -3.494  -4.890
  282    HA   GLU  40           HA       GLU  40  -9.705  -0.835  -5.432
  283    HB2  GLU  40           2HB      GLU  40  -7.864  -1.666  -3.590
  284    HB3  GLU  40           3HB      GLU  40  -6.820  -1.111  -4.891
  285    HG2  GLU  40           2HG      GLU  40  -7.185   0.678  -3.333
  286    HG3  GLU  40           3HG      GLU  40  -7.976   1.061  -4.863
  287    H    MET  41           H        MET  41  -9.458   0.114  -7.358
  288    HA   MET  41           HA       MET  41  -7.795  -1.306  -9.331
  289    HB2  MET  41           2HB      MET  41  -9.272  -0.412 -11.050
  290    HB3  MET  41           3HB      MET  41 -10.194  -1.296  -9.843
  291    HG2  MET  41           2HG      MET  41 -10.912   0.779  -8.828
  292    HG3  MET  41           3HG      MET  41  -9.910   1.698  -9.950
  293    HE1  MET  41           3HE      MET  41 -13.085  -0.586  -9.548
  294    HE2  MET  41           1HE      MET  41 -12.093  -1.492 -10.691
  295    HE3  MET  41           2HE      MET  41 -13.606  -0.762 -11.223
  296    H    CYS  42           H        CYS  42  -7.635   1.331  -7.435
  297    HA   CYS  42           HA       CYS  42  -5.866   2.694  -9.313
  298    HB2  CYS  42           2HB      CYS  42  -8.075   4.105  -7.804
  299    HB3  CYS  42           3HB      CYS  42  -6.827   4.897  -8.762
  300    HG   CYS  42           HG       CYS  42  -8.065   2.826 -10.832
  301    H    CYS  43           H        CYS  43  -4.395   4.167  -8.298
  302    HA   CYS  43           HA       CYS  43  -4.022   3.653  -5.418
  303    HB2  CYS  43           2HB      CYS  43  -2.260   2.612  -6.749
  304    HB3  CYS  43           3HB      CYS  43  -1.958   4.127  -7.584
  305    HA   PRO  44           HA       PRO  44  -5.287   8.028  -5.760
  306    HB2  PRO  44           2HB      PRO  44  -5.471   8.308  -3.003
  307    HB3  PRO  44           3HB      PRO  44  -6.783   7.799  -4.069
  308    HG2  PRO  44           2HG      PRO  44  -4.941   6.139  -2.402
  309    HG3  PRO  44           3HG      PRO  44  -6.677   5.934  -2.704
  310    HD2  PRO  44           2HD      PRO  44  -4.871   4.412  -3.952
  311    HD3  PRO  44           3HD      PRO  44  -6.325   4.986  -4.796
  312    H    ILE  45           H        ILE  45  -2.709   6.647  -3.862
  313    HA   ILE  45           HA       ILE  45  -1.511   8.976  -2.887
  314    HB   ILE  45           HB       ILE  45  -0.102   6.425  -3.687
  315   HG12  ILE  45          2HG1      ILE  45  -1.381   7.175  -1.044
  316   HG13  ILE  45          3HG1      ILE  45  -2.052   6.032  -2.201
  317   HG21  ILE  45          1HG2      ILE  45   0.632   8.552  -1.672
  318   HG22  ILE  45          2HG2      ILE  45   1.415   8.284  -3.229
  319   HG23  ILE  45          3HG2      ILE  45   1.522   7.058  -1.966
  320   HD11  ILE  45          3HD1      ILE  45  -0.113   4.584  -1.892
  321   HD12  ILE  45          1HD1      ILE  45  -0.957   4.888  -0.373
  322   HD13  ILE  45          2HD1      ILE  45   0.550   5.731  -0.728
  323    H    CYS  46           H        CYS  46  -1.248   7.383  -6.022
  324    HA   CYS  46           HA       CYS  46   0.404   9.643  -6.940
  325    HB2  CYS  46           2HB      CYS  46   1.162   8.153  -8.787
  326    HB3  CYS  46           3HB      CYS  46   1.636   7.577  -7.195
  327    H    CYS  47           H        CYS  47  -2.603   8.939  -6.714
  328    HA   CYS  47           HA       CYS  47  -4.537   8.939  -7.912
  329    HB2  CYS  47           2HB      CYS  47  -4.858  11.045  -9.204
  330    HB3  CYS  47           3HB      CYS  47  -4.221  11.285  -7.584
  331    HG   CYS  47           HG       CYS  47  -1.752  11.054  -9.764
  332    H    SER  48           H        SER  48  -3.031   7.024  -9.013
  333    HA   SER  48           HA       SER  48  -3.754   7.229 -11.835
  334    HB2  SER  48           2HB      SER  48  -1.341   7.786 -11.678
  335    HB3  SER  48           3HB      SER  48  -1.049   6.241 -10.880
  336    HG   SER  48           HG       SER  48  -0.782   6.504 -13.331
  337    H    GLU  49           H        GLU  49  -4.020   5.177 -12.860
  338    HA   GLU  49           HA       GLU  49  -5.138   3.211 -11.085
  339    HB2  GLU  49           2HB      GLU  49  -5.763   2.049 -13.195
  340    HB3  GLU  49           3HB      GLU  49  -6.317   3.715 -13.124
  341    HG2  GLU  49           2HG      GLU  49  -4.435   4.393 -14.538
  342    HG3  GLU  49           3HG      GLU  49  -3.913   2.712 -14.631
  343    H    TYR  50           H        TYR  50  -4.665   0.822 -12.296
  344    HA   TYR  50           HA       TYR  50  -1.941   0.337 -11.450
  345    HB2  TYR  50           2HB      TYR  50  -4.313  -1.413 -11.956
  346    HB3  TYR  50           3HB      TYR  50  -2.697  -2.118 -11.904
  347    HD1  TYR  50           HD2      TYR  50  -5.222  -0.267  -9.945
  348    HD2  TYR  50           HD1      TYR  50  -1.514  -2.341  -9.867
  349    HE1  TYR  50           HE2      TYR  50  -5.276  -0.261  -7.487
  350    HE2  TYR  50           HE1      TYR  50  -1.555  -2.340  -7.412
  351    HH   TYR  50           HH       TYR  50  -4.318  -1.465  -5.613
  352    H    VAL  51           H        VAL  51  -0.666   1.097 -13.006
  353    HA   VAL  51           HA       VAL  51  -0.929   0.094 -15.729
  354    HB   VAL  51           HB       VAL  51   0.922   1.625 -16.268
  355   HG11  VAL  51          1HG1      VAL  51  -0.272   3.735 -15.860
  356   HG12  VAL  51          2HG1      VAL  51  -1.309   2.910 -14.695
  357   HG13  VAL  51          3HG1      VAL  51  -1.357   2.454 -16.399
  358   HG21  VAL  51          3HG2      VAL  51   2.138   1.529 -14.159
  359   HG22  VAL  51          1HG2      VAL  51   0.815   2.361 -13.341
  360   HG23  VAL  51          2HG2      VAL  51   1.756   3.200 -14.576
  361    H    LYS  52           H        LYS  52   1.105  -0.705 -16.803
  362    HA   LYS  52           HA       LYS  52   2.101  -2.852 -15.157
  363    HB2  LYS  52           2HB      LYS  52   1.457  -3.314 -17.473
  364    HB3  LYS  52           3HB      LYS  52   2.681  -2.189 -18.052
  365    HG2  LYS  52           2HG      LYS  52   4.444  -3.594 -17.289
  366    HG3  LYS  52           3HG      LYS  52   3.322  -4.632 -16.414
  367    HD2  LYS  52           2HD      LYS  52   3.953  -5.784 -18.396
  368    HD3  LYS  52           3HD      LYS  52   2.296  -5.230 -18.622
  369    HE2  LYS  52           2HE      LYS  52   4.649  -3.661 -19.631
  370    HE3  LYS  52           3HE      LYS  52   3.931  -4.966 -20.571
  371    HZ1  LYS  52           3HZ      LYS  52   1.767  -3.734 -20.292
  372    HZ2  LYS  52           1HZ      LYS  52   2.913  -3.008 -21.302
  373    HZ3  LYS  52           2HZ      LYS  52   2.680  -2.416 -19.739
  374    H    GLY  53           H        GLY  53   4.049  -3.065 -14.273
  375    HA2  GLY  53           2HA      GLY  53   6.456  -2.640 -14.391
  376    HA3  GLY  53           3HA      GLY  53   6.070  -1.002 -14.900
  377    H    ASP  54           H        ASP  54   3.798  -1.218 -12.811
  378    HA   ASP  54           HA       ASP  54   5.380  -0.139 -10.627
  379    HB2  ASP  54           2HB      ASP  54   3.072   0.740 -11.564
  380    HB3  ASP  54           3HB      ASP  54   2.400  -0.488 -10.503
  381    H    VAL  55           H        VAL  55   4.883  -0.875  -8.382
  382    HA   VAL  55           HA       VAL  55   4.538  -3.802  -8.335
  383    HB   VAL  55           HB       VAL  55   6.132  -2.103  -6.403
  384   HG11  VAL  55          1HG1      VAL  55   5.821  -5.096  -6.615
  385   HG12  VAL  55          2HG1      VAL  55   5.199  -4.063  -5.326
  386   HG13  VAL  55          3HG1      VAL  55   6.939  -4.261  -5.536
  387   HG21  VAL  55          3HG2      VAL  55   7.219  -2.216  -8.580
  388   HG22  VAL  55          1HG2      VAL  55   7.083  -3.974  -8.570
  389   HG23  VAL  55          2HG2      VAL  55   8.109  -3.162  -7.387
  390    H    ALA  56           H        ALA  56   2.754  -4.474  -7.362
  391    HA   ALA  56           HA       ALA  56   1.344  -2.644  -5.561
  392    HB1  ALA  56           3HB      ALA  56   0.061  -3.564  -7.428
  393    HB2  ALA  56           1HB      ALA  56  -0.587  -4.096  -5.877
  394    HB3  ALA  56           2HB      ALA  56   0.389  -5.197  -6.849
  395    H    THR  57           H        THR  57   0.483  -3.411  -3.577
  396    HA   THR  57           HA       THR  57   1.661  -5.875  -2.531
  397    HB   THR  57           HB       THR  57   3.081  -3.929  -1.833
  398    HG1  THR  57           HG1      THR  57   3.149  -5.676  -0.492
  399   HG21  THR  57          3HG2      THR  57   1.332  -2.233  -1.633
  400   HG22  THR  57          1HG2      THR  57   2.219  -2.404  -0.118
  401   HG23  THR  57          2HG2      THR  57   0.616  -3.119  -0.286
  402    H    GLU  58           H        GLU  58   0.515  -6.705  -0.672
  403    HA   GLU  58           HA       GLU  58  -2.268  -5.765  -0.578
  404    HB2  GLU  58           2HB      GLU  58  -1.945  -8.066  -1.480
  405    HB3  GLU  58           3HB      GLU  58  -1.217  -8.531   0.053
  406    HG2  GLU  58           2HG      GLU  58  -3.331  -7.941   1.187
  407    HG3  GLU  58           3HG      GLU  58  -4.045  -7.604  -0.389
  408    H    LEU  59           H        LEU  59  -2.713  -4.700   1.205
  409    HA   LEU  59           HA       LEU  59  -1.144  -4.969   3.599
  410    HB2  LEU  59           2HB      LEU  59  -3.768  -3.531   3.162
  411    HB3  LEU  59           3HB      LEU  59  -2.697  -3.331   4.536
  412    HG   LEU  59           HG       LEU  59  -2.021  -2.585   1.686
  413   HD11  LEU  59          1HD1      LEU  59  -2.214  -0.279   2.472
  414   HD12  LEU  59          2HD1      LEU  59  -2.750  -0.860   4.049
  415   HD13  LEU  59          3HD1      LEU  59  -3.745  -1.142   2.620
  416   HD21  LEU  59          3HD2      LEU  59  -0.540  -2.077   4.264
  417   HD22  LEU  59          1HD2      LEU  59  -0.076  -1.494   2.666
  418   HD23  LEU  59          2HD2      LEU  59  -0.064  -3.223   3.011
  419    HA   PRO  60           HA       PRO  60  -3.490  -8.199   5.645
  420    HB2  PRO  60           2HB      PRO  60  -3.358  -7.169   8.216
  421    HB3  PRO  60           3HB      PRO  60  -2.120  -8.175   7.459
  422    HG2  PRO  60           2HG      PRO  60  -2.231  -5.205   7.758
  423    HG3  PRO  60           3HG      PRO  60  -0.841  -6.298   7.896
  424    HD2  PRO  60           2HD      PRO  60  -1.237  -4.807   5.706
  425    HD3  PRO  60           3HD      PRO  60  -0.577  -6.452   5.598
  426    H    CYS  61           H        CYS  61  -4.304  -4.887   5.657
  427    HA   CYS  61           HA       CYS  61  -6.909  -5.152   6.854
  428    HB2  CYS  61           2HB      CYS  61  -5.709  -3.023   6.946
  429    HB3  CYS  61           3HB      CYS  61  -5.634  -2.960   5.191
  430    H    HIS  62           H        HIS  62  -5.680  -6.440   4.201
  431    HA   HIS  62           HA       HIS  62  -6.364  -7.180   2.201
  432    HB2  HIS  62           2HB      HIS  62  -9.025  -6.964   3.589
  433    HB3  HIS  62           3HB      HIS  62  -8.868  -7.601   1.952
  434    HD1  HIS  62           HD1      HIS  62  -7.240  -9.735   1.715
  435    HD2  HIS  62           HD2      HIS  62  -8.504  -8.788   5.564
  436    HE1  HIS  62           HE1      HIS  62  -6.737 -11.765   3.110
  437    HE2  HIS  62           HE2      HIS  62  -7.711 -11.250   5.375
  438    H    HIS  63           H        HIS  63  -5.468  -5.027   1.695
  439    HA   HIS  63           HA       HIS  63  -7.251  -3.752  -0.193
  440    HB2  HIS  63           2HB      HIS  63  -6.315  -2.450   2.278
  441    HB3  HIS  63           3HB      HIS  63  -6.021  -1.520   0.812
  442    HD2  HIS  63           HD2      HIS  63  -8.697  -1.863  -0.817
  443    HE1  HIS  63           HE1      HIS  63 -10.769  -0.809   2.715
  444    HE2  HIS  63           HE2      HIS  63 -10.858  -0.917   0.208
  445    H    TYR  64           H        TYR  64  -6.211  -3.558  -2.043
  446    HA   TYR  64           HA       TYR  64  -3.329  -3.976  -2.066
  447    HB2  TYR  64           2HB      TYR  64  -5.395  -3.927  -4.272
  448    HB3  TYR  64           3HB      TYR  64  -3.671  -4.131  -4.559
  449    HD1  TYR  64           HD1      TYR  64  -6.707  -5.702  -3.242
  450    HD2  TYR  64           HD2      TYR  64  -2.552  -6.203  -3.997
  451    HE1  TYR  64           HE1      TYR  64  -6.943  -8.124  -2.903
  452    HE2  TYR  64           HE2      TYR  64  -2.778  -8.628  -3.660
  453    HH   TYR  64           HH       TYR  64  -4.341 -10.167  -2.407
  454    H    PHE  65           H        PHE  65  -1.883  -2.475  -2.514
  455    HA   PHE  65           HA       PHE  65  -2.624  -0.077  -3.991
  456    HB2  PHE  65           2HB      PHE  65  -1.377  -0.010  -1.229
  457    HB3  PHE  65           3HB      PHE  65  -1.382   1.361  -2.331
  458    HD1  PHE  65           HD2      PHE  65  -3.650   2.242  -3.103
  459    HD2  PHE  65           HD1      PHE  65  -3.166  -0.386   0.209
  460    HE1  PHE  65           HE2      PHE  65  -5.854   2.920  -2.246
  461    HE2  PHE  65           HE1      PHE  65  -5.370   0.286   1.068
  462    HZ   PHE  65           HZ       PHE  65  -6.717   1.940  -0.161
  463    H    HIS  66           H        HIS  66  -0.580   1.179  -4.544
  464    HA   HIS  66           HA       HIS  66   1.451  -0.654  -5.416
  465    HB2  HIS  66           2HB      HIS  66   1.279   2.361  -5.537
  466    HB3  HIS  66           3HB      HIS  66   2.638   1.447  -6.172
  467    HD2  HIS  66           HD2      HIS  66   0.771  -0.867  -7.726
  468    HE1  HIS  66           HE1      HIS  66  -0.604   2.510  -9.896
  469    HE2  HIS  66           HE2      HIS  66  -0.235   0.021  -9.932
  470    H    LYS  67           H        LYS  67   3.176  -1.279  -4.312
  471    HA   LYS  67           HA       LYS  67   3.509  -0.626  -1.614
  472    HB2  LYS  67           2HB      LYS  67   4.244  -2.757  -2.609
  473    HB3  LYS  67           3HB      LYS  67   5.527  -1.910  -3.463
  474    HG2  LYS  67           2HG      LYS  67   6.569  -1.305  -1.367
  475    HG3  LYS  67           3HG      LYS  67   5.248  -2.050  -0.467
  476    HD2  LYS  67           2HD      LYS  67   5.835  -4.229  -1.366
  477    HD3  LYS  67           3HD      LYS  67   7.112  -3.503  -2.343
  478    HE2  LYS  67           2HE      LYS  67   8.270  -2.790  -0.315
  479    HE3  LYS  67           3HE      LYS  67   6.984  -3.483   0.672
  480    HZ1  LYS  67           3HZ      LYS  67   7.561  -5.661  -0.062
  481    HZ2  LYS  67           1HZ      LYS  67   8.987  -4.904   0.451
  482    HZ3  LYS  67           2HZ      LYS  67   8.661  -5.059  -1.204
  483    HA   PRO  68           HA       PRO  68   7.395   2.050  -2.938
  484    HB2  PRO  68           2HB      PRO  68   7.129   3.189  -5.434
  485    HB3  PRO  68           3HB      PRO  68   8.115   1.768  -5.078
  486    HG2  PRO  68           2HG      PRO  68   5.351   1.923  -6.206
  487    HG3  PRO  68           3HG      PRO  68   6.696   0.866  -6.675
  488    HD2  PRO  68           2HD      PRO  68   4.684  -0.035  -5.161
  489    HD3  PRO  68           3HD      PRO  68   6.357  -0.568  -4.884
  490    H    CYS  69           H        CYS  69   4.086   2.628  -3.812
  491    HA   CYS  69           HA       CYS  69   4.251   5.490  -3.422
  492    HB2  CYS  69           2HB      CYS  69   1.810   3.723  -3.675
  493    HB3  CYS  69           3HB      CYS  69   1.832   5.479  -3.762
  494    H    VAL  70           H        VAL  70   2.876   2.693  -1.740
  495    HA   VAL  70           HA       VAL  70   1.705   4.291   0.314
  496    HB   VAL  70           HB       VAL  70   0.812   2.086  -0.503
  497   HG11  VAL  70          1HG1      VAL  70   1.676   0.035   0.515
  498   HG12  VAL  70          2HG1      VAL  70   3.009   0.949   1.219
  499   HG13  VAL  70          3HG1      VAL  70   2.870   0.802  -0.533
  500   HG21  VAL  70          3HG2      VAL  70   1.230   2.373   2.465
  501   HG22  VAL  70          1HG2      VAL  70  -0.004   1.382   1.690
  502   HG23  VAL  70          2HG2      VAL  70  -0.040   3.136   1.510
  503    H    SER  71           H        SER  71   4.777   2.742  -0.110
  504    HA   SER  71           HA       SER  71   5.535   2.373   2.557
  505    HB2  SER  71           2HB      SER  71   7.896   2.591   1.615
  506    HB3  SER  71           3HB      SER  71   6.870   1.358   0.884
  507    HG   SER  71           HG       SER  71   8.145   3.224  -0.379
  508    H    ILE  72           H        ILE  72   5.462   5.252   0.588
  509    HA   ILE  72           HA       ILE  72   7.081   6.839   2.345
  510    HB   ILE  72           HB       ILE  72   5.116   7.786   0.249
  511   HG12  ILE  72          2HG1      ILE  72   8.073   7.209  -0.053
  512   HG13  ILE  72          3HG1      ILE  72   6.778   6.185  -0.664
  513   HG21  ILE  72          1HG2      ILE  72   5.836   9.523   1.801
  514   HG22  ILE  72          2HG2      ILE  72   6.496   9.799   0.190
  515   HG23  ILE  72          3HG2      ILE  72   7.524   9.140   1.462
  516   HD11  ILE  72          3HD1      ILE  72   7.707   7.547  -2.433
  517   HD12  ILE  72          1HD1      ILE  72   7.361   9.012  -1.516
  518   HD13  ILE  72          2HD1      ILE  72   6.036   8.014  -2.115
  519    H    TRP  73           H        TRP  73   3.664   6.211   1.914
  520    HA   TRP  73           HA       TRP  73   2.755   8.293   3.653
  521    HB2  TRP  73           2HB      TRP  73   1.332   7.491   1.857
  522    HB3  TRP  73           3HB      TRP  73   1.370   5.857   2.507
  523    HD1  TRP  73           HD1      TRP  73  -0.426   5.236   4.274
  524    HE1  TRP  73           HE1      TRP  73  -2.366   6.500   5.391
  525    HE3  TRP  73           HE3      TRP  73   0.697   9.979   2.724
  526    HZ2  TRP  73           HZ2      TRP  73  -3.300   9.158   5.593
  527    HZ3  TRP  73           HZ3      TRP  73  -0.774  11.827   3.422
  528    HH2  TRP  73           HH2      TRP  73  -2.730  11.422   4.827
  529    H    LEU  74           H        LEU  74   3.349   4.836   3.961
  530    HA   LEU  74           HA       LEU  74   2.082   4.439   6.432
  531    HB2  LEU  74           2HB      LEU  74   4.383   2.933   5.200
  532    HB3  LEU  74           3HB      LEU  74   3.426   2.374   6.557
  533    HG   LEU  74           HG       LEU  74   2.400   2.858   3.763
  534   HD11  LEU  74          1HD1      LEU  74   2.899   0.297   5.268
  535   HD12  LEU  74          2HD1      LEU  74   3.816   0.897   3.888
  536   HD13  LEU  74          3HD1      LEU  74   2.129   0.428   3.688
  537   HD21  LEU  74          3HD2      LEU  74   0.995   1.781   6.205
  538   HD22  LEU  74          1HD2      LEU  74   0.323   1.849   4.576
  539   HD23  LEU  74          2HD2      LEU  74   0.701   3.340   5.437
  540    H    GLN  75           H        GLN  75   5.234   5.712   5.669
  541    HA   GLN  75           HA       GLN  75   6.459   5.326   8.189
  542    HB2  GLN  75           2HB      GLN  75   6.959   7.512   6.162
  543    HB3  GLN  75           3HB      GLN  75   8.030   7.075   7.485
  544    HG2  GLN  75           2HG      GLN  75   8.389   4.890   6.494
  545    HG3  GLN  75           3HG      GLN  75   7.272   5.286   5.189
  546   HE21  GLN  75          1HE2      GLN  75   8.777   5.068   3.583
  547   HE22  GLN  75          2HE2      GLN  75  10.084   6.183   3.351
  548    H    LYS  76           H        LYS  76   4.119   7.570   7.029
  549    HA   LYS  76           HA       LYS  76   4.482   9.333   9.334
  550    HB2  LYS  76           2HB      LYS  76   2.650   9.614   6.942
  551    HB3  LYS  76           3HB      LYS  76   2.916  10.827   8.187
  552    HG2  LYS  76           2HG      LYS  76   5.244  11.032   7.521
  553    HG3  LYS  76           3HG      LYS  76   5.013   9.782   6.299
  554    HD2  LYS  76           2HD      LYS  76   3.355  11.202   5.175
  555    HD3  LYS  76           3HD      LYS  76   3.623  12.456   6.387
  556    HE2  LYS  76           2HE      LYS  76   4.874  12.970   4.387
  557    HE3  LYS  76           3HE      LYS  76   5.983  12.584   5.701
  558    HZ1  LYS  76           3HZ      LYS  76   6.279  10.378   4.780
  559    HZ2  LYS  76           1HZ      LYS  76   6.637  11.547   3.606
  560    HZ3  LYS  76           2HZ      LYS  76   5.162  10.707   3.544
  561    H    SER  77           H        SER  77   2.133   7.197   7.814
  562    HA   SER  77           HA       SER  77   0.907   6.604  10.330
  563    HB2  SER  77           2HB      SER  77  -1.406   7.330   9.519
  564    HB3  SER  77           3HB      SER  77  -0.314   8.625  10.015
  565    HG   SER  77           HG       SER  77  -0.449   7.790   7.319
  566    H    GLY  78           H        GLY  78   0.367   4.509  10.245
  567    HA2  GLY  78           2HA      GLY  78   0.272   3.137   7.701
  568    HA3  GLY  78           3HA      GLY  78   0.088   2.410   9.295
  569    H    THR  79           H        THR  79  -1.543   3.936   6.629
  570    HA   THR  79           HA       THR  79  -4.082   2.878   7.592
  571    HB   THR  79           HB       THR  79  -3.999   5.760   6.717
  572    HG1  THR  79           HG1      THR  79  -3.056   4.715   9.068
  573   HG21  THR  79          3HG2      THR  79  -6.085   5.900   7.887
  574   HG22  THR  79          1HG2      THR  79  -5.883   4.268   8.525
  575   HG23  THR  79          2HG2      THR  79  -6.133   4.512   6.797
  576    H    CYS  80           H        CYS  80  -5.469   2.308   5.879
  577    HA   CYS  80           HA       CYS  80  -4.569   2.613   3.162
  578    HB2  CYS  80           2HB      CYS  80  -7.340   1.905   4.172
  579    HB3  CYS  80           3HB      CYS  80  -6.792   1.759   2.512
  580    HA   PRO  81           HA       PRO  81  -5.897   6.894   2.929
  581    HB2  PRO  81           2HB      PRO  81  -5.815   7.040   0.163
  582    HB3  PRO  81           3HB      PRO  81  -4.439   7.315   1.236
  583    HG2  PRO  81           2HG      PRO  81  -5.195   4.859  -0.287
  584    HG3  PRO  81           3HG      PRO  81  -3.588   5.555  -0.004
  585    HD2  PRO  81           2HD      PRO  81  -4.448   3.421   1.371
  586    HD3  PRO  81           3HD      PRO  81  -3.451   4.674   2.140
  587    H    VAL  82           H        VAL  82  -7.421   4.218   1.329
  588    HA   VAL  82           HA       VAL  82  -9.699   5.760   0.440
  589    HB   VAL  82           HB       VAL  82  -9.269   2.768   0.411
  590   HG11  VAL  82          1HG1      VAL  82 -11.313   4.449  -1.039
  591   HG12  VAL  82          2HG1      VAL  82 -11.637   3.376   0.322
  592   HG13  VAL  82          3HG1      VAL  82 -11.083   2.708  -1.215
  593   HG21  VAL  82          3HG2      VAL  82  -7.616   3.945  -0.934
  594   HG22  VAL  82          1HG2      VAL  82  -8.899   4.819  -1.769
  595   HG23  VAL  82          2HG2      VAL  82  -8.753   3.072  -1.963
  596    H    CYS  83           H        CYS  83  -9.134   3.193   2.866
  597    HA   CYS  83           HA       CYS  83 -11.909   3.448   3.743
  598    HB2  CYS  83           2HB      CYS  83 -11.601   1.365   4.893
  599    HB3  CYS  83           3HB      CYS  83 -10.899   1.195   3.289
  600    H    ARG  84           H        ARG  84  -8.746   4.332   4.699
  601    HA   ARG  84           HA       ARG  84  -7.819   5.286   6.498
  602    HB2  ARG  84           2HB      ARG  84 -10.639   6.107   7.147
  603    HB3  ARG  84           3HB      ARG  84  -9.192   6.786   7.872
  604    HG2  ARG  84           2HG      ARG  84  -8.468   7.468   5.577
  605    HG3  ARG  84           3HG      ARG  84 -10.055   6.965   4.996
  606    HD2  ARG  84           2HD      ARG  84 -11.056   8.566   6.657
  607    HD3  ARG  84           3HD      ARG  84  -9.421   9.163   6.954
  608    HE   ARG  84           HE       ARG  84 -10.410   9.149   4.199
  609   HH11  ARG  84          1HH1      ARG  84  -9.592  11.013   7.073
  610   HH12  ARG  84          2HH1      ARG  84  -9.537  12.527   6.215
  611   HH21  ARG  84          1HH2      ARG  84 -10.347  11.135   3.097
  612   HH22  ARG  84          2HH2      ARG  84  -9.967  12.597   3.955
  613    H    CYS  85           H        CYS  85  -8.819   2.495   6.677
  614    HA   CYS  85           HA       CYS  85  -9.148   2.152   9.543
  615    HB2  CYS  85           2HB      CYS  85  -8.743   0.062   7.389
  616    HB3  CYS  85           3HB      CYS  85  -9.228  -0.239   9.055
  617    HG   CYS  85           HG       CYS  85 -11.542   1.643   8.396
  618    H    MET  86           H        MET  86  -7.616   0.610  10.664
  619    HA   MET  86           HA       MET  86  -5.080   1.940  10.533
  620    HB2  MET  86           2HB      MET  86  -6.271   1.387  12.650
  621    HB3  MET  86           3HB      MET  86  -5.951  -0.313  12.345
  622    HG2  MET  86           2HG      MET  86  -3.510   0.239  12.346
  623    HG3  MET  86           3HG      MET  86  -3.944   1.857  12.888
  624    HE1  MET  86           3HE      MET  86  -6.538   0.968  14.704
  625    HE2  MET  86           1HE      MET  86  -5.413   2.253  15.145
  626    HE3  MET  86           2HE      MET  86  -5.776   0.968  16.296
  627    H    PHE  87           H        PHE  87  -3.139   1.202   9.941
  628    HA   PHE  87           HA       PHE  87  -2.767  -1.668   9.456
  629    HB2  PHE  87           2HB      PHE  87  -2.863  -0.783   7.244
  630    HB3  PHE  87           3HB      PHE  87  -1.901   0.624   7.689
  631    HD1  PHE  87           HD1      PHE  87  -1.746  -3.047   7.214
  632    HD2  PHE  87           HD2      PHE  87   0.433   0.595   7.512
  633    HE1  PHE  87           HE1      PHE  87   0.303  -4.215   6.513
  634    HE2  PHE  87           HE2      PHE  87   2.481  -0.568   6.807
  635    HZ   PHE  87           HZ       PHE  87   2.419  -2.976   6.309
  636    HA   PRO  88           HA       PRO  88  -1.496  -3.246   9.840
  637    HB2  PRO  88           2HB      PRO  88  -0.736  -4.026  12.571
  638    HB3  PRO  88           3HB      PRO  88  -0.237  -4.726  11.029
  639    HG2  PRO  88           2HG      PRO  88   1.461  -3.309  12.553
  640    HG3  PRO  88           3HG      PRO  88   1.525  -3.256  10.780
  641    HD2  PRO  88           2HD      PRO  88   0.323  -1.284  12.691
  642    HD3  PRO  88           3HD      PRO  88   1.313  -0.989  11.245
  643    HA   PRO  89           HA       PRO  89  -5.550  -3.108  11.581
  644    HB2  PRO  89           2HB      PRO  89  -5.789  -5.797  12.367
  645    HB3  PRO  89           3HB      PRO  89  -6.236  -5.124  10.798
  646    HG2  PRO  89           2HG      PRO  89  -3.754  -6.557  11.609
  647    HG3  PRO  89           3HG      PRO  89  -4.625  -6.598  10.063
  648    HD2  PRO  89           2HD      PRO  89  -2.347  -5.226  10.331
  649    HD3  PRO  89           3HD      PRO  89  -3.685  -4.595   9.345
  650    HA   PRO  90           HA       PRO  90  -5.008  -2.380  15.841
  651    HB2  PRO  90           2HB      PRO  90  -7.557  -2.599  16.750
  652    HB3  PRO  90           3HB      PRO  90  -7.001  -1.231  15.774
  653    HG2  PRO  90           2HG      PRO  90  -8.435  -3.713  14.904
  654    HG3  PRO  90           3HG      PRO  90  -8.801  -2.023  14.495
  655    HD2  PRO  90           2HD      PRO  90  -7.458  -3.579  12.789
  656    HD3  PRO  90           3HD      PRO  90  -7.006  -1.873  13.006
  657    H    LEU  91           H        LEU  91  -4.412  -3.518  17.536
  658    HA   LEU  91           HA       LEU  91  -5.030  -6.363  17.618
  659    HB2  LEU  91           2HB      LEU  91  -3.046  -4.718  19.199
  660    HB3  LEU  91           3HB      LEU  91  -3.225  -6.459  19.307
  661    HG   LEU  91           HG       LEU  91  -2.429  -5.003  16.784
  662   HD11  LEU  91          1HD1      LEU  91  -0.727  -4.719  18.515
  663   HD12  LEU  91          2HD1      LEU  91  -0.169  -5.787  17.227
  664   HD13  LEU  91          3HD1      LEU  91  -0.694  -6.465  18.769
  665   HD21  LEU  91          3HD2      LEU  91  -3.502  -7.171  16.428
  666   HD22  LEU  91          1HD2      LEU  91  -2.346  -7.925  17.527
  667   HD23  LEU  91          2HD2      LEU  91  -1.790  -7.222  16.008
  Start of MODEL   20
    1    H1   MET   1           1H       MET   1  -9.855  13.797  -7.715
    2    H2   MET   1           2H       MET   1 -10.843  12.748  -8.613
    3    H3   MET   1           3H       MET   1  -9.165  12.741  -8.851
    4    HA   MET   1           HA       MET   1  -9.938  10.842  -7.542
    5    HB2  MET   1           2HB      MET   1  -8.257  11.012  -5.809
    6    HB3  MET   1           3HB      MET   1  -7.645  11.762  -7.277
    7    HG2  MET   1           2HG      MET   1  -8.114  13.967  -6.374
    8    HG3  MET   1           3HG      MET   1  -8.810  13.246  -4.925
    9    HE1  MET   1           3HE      MET   1  -5.531  13.889  -6.986
   10    HE2  MET   1           1HE      MET   1  -5.617  12.129  -6.937
   11    HE3  MET   1           2HE      MET   1  -4.342  12.972  -6.058
   12    H    GLY   2           H        GLY   2 -11.951  13.139  -7.207
   13    HA2  GLY   2           2HA      GLY   2 -12.324  13.372  -4.359
   14    HA3  GLY   2           3HA      GLY   2 -13.354  14.045  -5.610
   15    H    HIS   3           H        HIS   3 -12.425  10.833  -4.371
   16    HA   HIS   3           HA       HIS   3 -15.300  10.187  -4.310
   17    HB2  HIS   3           2HB      HIS   3 -12.940   8.434  -4.962
   18    HB3  HIS   3           3HB      HIS   3 -14.452   7.744  -4.379
   19    HD1  HIS   3           HD1      HIS   3 -12.809   8.261  -7.435
   20    HD2  HIS   3           HD2      HIS   3 -16.698   8.953  -6.122
   21    HE1  HIS   3           HE1      HIS   3 -14.218   8.404  -9.515
   22    HE2  HIS   3           HE2      HIS   3 -16.551   8.912  -8.700
   23    H    HIS   4           H        HIS   4 -15.651  10.881  -2.249
   24    HA   HIS   4           HA       HIS   4 -13.896  10.129  -0.094
   25    HB2  HIS   4           2HB      HIS   4 -16.478  11.664  -0.237
   26    HB3  HIS   4           3HB      HIS   4 -15.829  11.143   1.312
   27    HD1  HIS   4           HD1      HIS   4 -13.552  12.218   2.067
   28    HD2  HIS   4           HD2      HIS   4 -15.244  13.867  -1.363
   29    HE1  HIS   4           HE1      HIS   4 -12.366  14.411   1.706
   30    HE2  HIS   4           HE2      HIS   4 -13.549  15.480  -0.249
   31    H    HIS   5           H        HIS   5 -13.968   8.304   0.987
   32    HA   HIS   5           HA       HIS   5 -16.446   6.735   0.996
   33    HB2  HIS   5           2HB      HIS   5 -13.589   6.036   1.686
   34    HB3  HIS   5           3HB      HIS   5 -14.939   4.979   2.083
   35    HD1  HIS   5           HD1      HIS   5 -15.776   3.461   0.277
   36    HD2  HIS   5           HD2      HIS   5 -13.184   6.380  -1.158
   37    HE1  HIS   5           HE1      HIS   5 -15.331   2.852  -2.123
   38    HE2  HIS   5           HE2      HIS   5 -13.629   4.532  -2.921
   39    H    HIS   6           H        HIS   6 -17.757   7.025   2.675
   40    HA   HIS   6           HA       HIS   6 -16.796   8.425   5.008
   41    HB2  HIS   6           2HB      HIS   6 -19.512   7.470   4.143
   42    HB3  HIS   6           3HB      HIS   6 -19.234   8.097   5.764
   43    HD1  HIS   6           HD1      HIS   6 -21.169   9.629   4.040
   44    HD2  HIS   6           HD2      HIS   6 -17.074  10.386   4.065
   45    HE1  HIS   6           HE1      HIS   6 -20.907  11.999   3.235
   46    HE2  HIS   6           HE2      HIS   6 -18.430  12.465   3.335
   47    H    HIS   7           H        HIS   7 -16.225   7.616   6.857
   48    HA   HIS   7           HA       HIS   7 -16.999   4.905   7.618
   49    HB2  HIS   7           2HB      HIS   7 -14.764   4.932   6.310
   50    HB3  HIS   7           3HB      HIS   7 -14.098   5.739   7.723
   51    HD1  HIS   7           HD1      HIS   7 -12.857   4.116   9.108
   52    HD2  HIS   7           HD2      HIS   7 -16.214   2.405   7.352
   53    HE1  HIS   7           HE1      HIS   7 -12.871   1.720   9.867
   54    HE2  HIS   7           HE2      HIS   7 -14.979   0.740   8.894
   55    H    HIS   8           H        HIS   8 -17.891   5.241   9.573
   56    HA   HIS   8           HA       HIS   8 -17.501   7.614  11.024
   57    HB2  HIS   8           2HB      HIS   8 -18.906   6.709  12.732
   58    HB3  HIS   8           3HB      HIS   8 -19.536   6.177  11.182
   59    HD1  HIS   8           HD1      HIS   8 -18.980   4.972  14.443
   60    HD2  HIS   8           HD2      HIS   8 -18.477   3.357  10.642
   61    HE1  HIS   8           HE1      HIS   8 -18.950   2.475  14.761
   62    HE2  HIS   8           HE2      HIS   8 -18.846   1.522  12.428
   63    H    SER   9           H        SER   9 -15.769   4.609  11.108
   64    HA   SER   9           HA       SER   9 -14.108   5.587  13.293
   65    HB2  SER   9           2HB      SER   9 -14.544   3.155  13.152
   66    HB3  SER   9           3HB      SER   9 -13.802   3.117  11.554
   67    HG   SER   9           HG       SER   9 -11.838   3.678  12.492
   68    H    HIS  10           H        HIS  10 -13.633   7.554  12.120
   69    HA   HIS  10           HA       HIS  10 -12.509   7.528   9.526
   70    HB2  HIS  10           2HB      HIS  10 -12.091   9.918   9.862
   71    HB3  HIS  10           3HB      HIS  10 -13.716   9.472  10.357
   72    HD1  HIS  10           HD1      HIS  10 -11.015  11.493  11.396
   73    HD2  HIS  10           HD2      HIS  10 -13.725   9.039  13.376
   74    HE1  HIS  10           HE1      HIS  10 -10.990  12.250  13.795
   75    HE2  HIS  10           HE2      HIS  10 -12.559  10.683  14.995
   76    H    MET  11           H        MET  11 -11.129   7.370  12.696
   77    HA   MET  11           HA       MET  11  -9.006   7.131  13.463
   78    HB2  MET  11           2HB      MET  11  -9.655   4.937  12.514
   79    HB3  MET  11           3HB      MET  11  -8.814   5.365  11.030
   80    HG2  MET  11           2HG      MET  11  -6.714   5.468  12.190
   81    HG3  MET  11           3HG      MET  11  -7.517   5.197  13.735
   82    HE1  MET  11           3HE      MET  11  -9.680   2.990  12.963
   83    HE2  MET  11           1HE      MET  11  -8.686   2.906  14.417
   84    HE3  MET  11           2HE      MET  11  -8.796   1.512  13.343
   85    H    VAL  12           H        VAL  12  -8.160   9.211  13.191
   86    HA   VAL  12           HA       VAL  12  -6.065   9.310  11.120
   87    HB   VAL  12           HB       VAL  12  -6.197  11.788  11.195
   88   HG11  VAL  12          1HG1      VAL  12  -7.306  10.560   9.408
   89   HG12  VAL  12          2HG1      VAL  12  -8.231  11.997   9.846
   90   HG13  VAL  12          3HG1      VAL  12  -8.758  10.406  10.398
   91   HG21  VAL  12          3HG2      VAL  12  -8.697  11.298  12.814
   92   HG22  VAL  12          1HG2      VAL  12  -8.196  12.853  12.148
   93   HG23  VAL  12          2HG2      VAL  12  -7.215  12.066  13.384
   94    H    ALA  13           H        ALA  13  -4.358  11.064  11.847
   95    HA   ALA  13           HA       ALA  13  -2.683  11.660  13.252
   96    HB1  ALA  13           3HB      ALA  13  -4.456  12.645  14.623
   97    HB2  ALA  13           1HB      ALA  13  -3.145  12.006  15.614
   98    HB3  ALA  13           2HB      ALA  13  -4.655  11.108  15.467
   99    H    ASN  14           H        ASN  14  -3.403   8.749  12.600
  100    HA   ASN  14           HA       ASN  14  -2.403   7.128  14.683
  101    HB2  ASN  14           2HB      ASN  14  -2.747   6.712  11.726
  102    HB3  ASN  14           3HB      ASN  14  -1.943   5.502  12.715
  103   HD21  ASN  14          1HD2      ASN  14  -3.531   3.985  12.324
  104   HD22  ASN  14          2HD2      ASN  14  -5.103   4.083  13.034
  105    HA   PRO  15           HA       PRO  15   1.959   7.893  14.381
  106    HB2  PRO  15           2HB      PRO  15   2.813   5.587  15.563
  107    HB3  PRO  15           3HB      PRO  15   2.160   6.957  16.469
  108    HG2  PRO  15           2HG      PRO  15   0.801   4.430  15.617
  109    HG3  PRO  15           3HG      PRO  15   0.712   5.280  17.171
  110    HD2  PRO  15           2HD      PRO  15  -1.229   5.494  15.311
  111    HD3  PRO  15           3HD      PRO  15  -0.789   6.846  16.375
  112    HA   PRO  16           HA       PRO  16   3.486   5.747  10.808
  113    HB2  PRO  16           2HB      PRO  16   6.100   5.500  12.170
  114    HB3  PRO  16           3HB      PRO  16   5.694   6.311  10.655
  115    HG2  PRO  16           2HG      PRO  16   6.267   7.700  12.866
  116    HG3  PRO  16           3HG      PRO  16   5.035   8.255  11.717
  117    HD2  PRO  16           2HD      PRO  16   4.691   6.906  14.364
  118    HD3  PRO  16           3HD      PRO  16   3.750   8.226  13.639
  119    H    ALA  17           H        ALA  17   3.813   3.683  10.080
  120    HA   ALA  17           HA       ALA  17   3.628   1.555  12.042
  121    HB1  ALA  17           3HB      ALA  17   3.317   0.091  10.107
  122    HB2  ALA  17           1HB      ALA  17   3.665   1.441   9.027
  123    HB3  ALA  17           2HB      ALA  17   2.224   1.474  10.045
  124    H    SER  18           H        SER  18   5.041  -0.366  11.829
  125    HA   SER  18           HA       SER  18   7.769   0.355  11.981
  126    HB2  SER  18           2HB      SER  18   6.610  -2.426  11.715
  127    HB3  SER  18           3HB      SER  18   8.166  -1.982  12.418
  128    HG   SER  18           HG       SER  18   6.768  -0.638  13.897
  129    H    LYS  19           H        LYS  19   9.290   0.447  10.468
  130    HA   LYS  19           HA       LYS  19   8.654   0.487   7.758
  131    HB2  LYS  19           2HB      LYS  19  10.543   1.728   8.674
  132    HB3  LYS  19           3HB      LYS  19  11.351   0.221   9.090
  133    HG2  LYS  19           2HG      LYS  19  10.676   0.338   6.285
  134    HG3  LYS  19           3HG      LYS  19  11.720   1.671   6.793
  135    HD2  LYS  19           2HD      LYS  19  13.452   0.301   7.321
  136    HD3  LYS  19           3HD      LYS  19  12.392  -1.019   7.820
  137    HE2  LYS  19           2HE      LYS  19  13.553  -1.679   5.842
  138    HE3  LYS  19           3HE      LYS  19  11.856  -1.421   5.452
  139    HZ1  LYS  19           3HZ      LYS  19  14.031   0.536   4.945
  140    HZ2  LYS  19           1HZ      LYS  19  12.402   0.709   4.498
  141    HZ3  LYS  19           2HZ      LYS  19  13.358  -0.491   3.777
  142    H    GLU  20           H        GLU  20  10.291  -2.033   9.655
  143    HA   GLU  20           HA       GLU  20  10.869  -3.726   7.476
  144    HB2  GLU  20           2HB      GLU  20  10.477  -4.349  10.401
  145    HB3  GLU  20           3HB      GLU  20  11.051  -5.519   9.220
  146    HG2  GLU  20           2HG      GLU  20  12.962  -4.038   8.735
  147    HG3  GLU  20           3HG      GLU  20  12.402  -2.948  10.003
  148    H    SER  21           H        SER  21   8.029  -3.417   9.520
  149    HA   SER  21           HA       SER  21   6.705  -5.748   8.611
  150    HB2  SER  21           2HB      SER  21   6.126  -4.496  10.700
  151    HB3  SER  21           3HB      SER  21   5.463  -3.206   9.696
  152    HG   SER  21           HG       SER  21   4.583  -5.909   9.798
  153    H    ILE  22           H        ILE  22   6.876  -2.445   7.463
  154    HA   ILE  22           HA       ILE  22   4.790  -2.685   5.524
  155    HB   ILE  22           HB       ILE  22   7.056  -0.684   5.606
  156   HG12  ILE  22          2HG1      ILE  22   4.255  -0.389   6.709
  157   HG13  ILE  22          3HG1      ILE  22   5.661  -0.778   7.693
  158   HG21  ILE  22          1HG2      ILE  22   4.370  -0.583   4.234
  159   HG22  ILE  22          2HG2      ILE  22   5.938  -0.769   3.448
  160   HG23  ILE  22          3HG2      ILE  22   5.545   0.732   4.288
  161   HD11  ILE  22          3HD1      ILE  22   6.688   1.340   7.080
  162   HD12  ILE  22          1HD1      ILE  22   5.104   1.585   7.817
  163   HD13  ILE  22          2HD1      ILE  22   5.295   1.729   6.070
  164    H    ASP  23           H        ASP  23   8.312  -2.985   5.464
  165    HA   ASP  23           HA       ASP  23   8.382  -3.255   2.596
  166    HB2  ASP  23           2HB      ASP  23  10.215  -2.218   4.008
  167    HB3  ASP  23           3HB      ASP  23  10.632  -3.852   4.513
  168    H    ALA  24           H        ALA  24   7.781  -5.335   5.184
  169    HA   ALA  24           HA       ALA  24   8.718  -7.760   3.966
  170    HB1  ALA  24           3HB      ALA  24   7.512  -8.893   5.753
  171    HB2  ALA  24           1HB      ALA  24   6.737  -7.374   6.209
  172    HB3  ALA  24           2HB      ALA  24   8.480  -7.565   6.396
  173    H    LEU  25           H        LEU  25   6.082  -5.717   3.471
  174    HA   LEU  25           HA       LEU  25   4.114  -7.590   2.683
  175    HB2  LEU  25           2HB      LEU  25   4.523  -4.699   1.921
  176    HB3  LEU  25           3HB      LEU  25   3.110  -5.637   1.478
  177    HG   LEU  25           HG       LEU  25   3.964  -4.982   4.301
  178   HD11  LEU  25          1HD1      LEU  25   1.704  -3.916   2.614
  179   HD12  LEU  25          2HD1      LEU  25   3.139  -3.025   3.124
  180   HD13  LEU  25          3HD1      LEU  25   1.963  -3.566   4.322
  181   HD21  LEU  25          3HD2      LEU  25   1.788  -5.927   4.932
  182   HD22  LEU  25          1HD2      LEU  25   2.833  -7.132   4.178
  183   HD23  LEU  25          2HD2      LEU  25   1.518  -6.405   3.256
  184    HA   PRO  26           HA       PRO  26   5.769  -9.243  -0.989
  185    HB2  PRO  26           2HB      PRO  26   3.434  -9.629  -2.404
  186    HB3  PRO  26           3HB      PRO  26   4.014 -10.697  -1.120
  187    HG2  PRO  26           2HG      PRO  26   2.010  -8.473  -0.972
  188    HG3  PRO  26           3HG      PRO  26   1.929 -10.096  -0.258
  189    HD2  PRO  26           2HD      PRO  26   2.591  -7.995   1.236
  190    HD3  PRO  26           3HD      PRO  26   3.431  -9.548   1.444
  191    H    GLU  27           H        GLU  27   6.716  -8.366  -2.709
  192    HA   GLU  27           HA       GLU  27   5.696  -5.923  -3.883
  193    HB2  GLU  27           2HB      GLU  27   8.086  -7.616  -4.649
  194    HB3  GLU  27           3HB      GLU  27   7.713  -6.023  -5.291
  195    HG2  GLU  27           2HG      GLU  27   7.947  -5.094  -3.021
  196    HG3  GLU  27           3HG      GLU  27   8.417  -6.690  -2.445
  197    H    ILE  28           H        ILE  28   3.946  -6.215  -5.112
  198    HA   ILE  28           HA       ILE  28   3.717  -8.605  -6.764
  199    HB   ILE  28           HB       ILE  28   1.718  -6.391  -6.262
  200   HG12  ILE  28          2HG1      ILE  28   1.858  -9.202  -5.144
  201   HG13  ILE  28          3HG1      ILE  28   2.266  -7.739  -4.255
  202   HG21  ILE  28          1HG2      ILE  28   0.081  -7.939  -7.250
  203   HG22  ILE  28          2HG2      ILE  28   1.388  -9.061  -7.631
  204   HG23  ILE  28          3HG2      ILE  28   1.335  -7.477  -8.405
  205   HD11  ILE  28          3HD1      ILE  28  -0.442  -8.419  -5.373
  206   HD12  ILE  28          1HD1      ILE  28  -0.032  -6.968  -4.459
  207   HD13  ILE  28          2HD1      ILE  28   0.046  -8.550  -3.683
  208    H    LEU  29           H        LEU  29   4.480  -8.580  -8.740
  209    HA   LEU  29           HA       LEU  29   4.928  -6.145 -10.208
  210    HB2  LEU  29           2HB      LEU  29   6.434  -8.073 -10.442
  211    HB3  LEU  29           3HB      LEU  29   5.112  -9.039 -11.067
  212    HG   LEU  29           HG       LEU  29   4.955  -7.454 -13.000
  213   HD11  LEU  29          1HD1      LEU  29   7.546  -6.404 -11.873
  214   HD12  LEU  29          2HD1      LEU  29   6.019  -5.527 -11.968
  215   HD13  LEU  29          3HD1      LEU  29   6.860  -5.994 -13.446
  216   HD21  LEU  29          3HD2      LEU  29   7.586  -8.865 -12.599
  217   HD22  LEU  29          1HD2      LEU  29   6.916  -8.352 -14.148
  218   HD23  LEU  29          2HD2      LEU  29   6.094  -9.589 -13.197
  219    H    VAL  30           H        VAL  30   3.243  -5.088 -11.035
  220    HA   VAL  30           HA       VAL  30   0.797  -6.491 -11.662
  221    HB   VAL  30           HB       VAL  30   1.458  -3.562 -12.010
  222   HG11  VAL  30          1HG1      VAL  30  -1.193  -5.002 -11.981
  223   HG12  VAL  30          2HG1      VAL  30  -0.422  -4.264 -13.385
  224   HG13  VAL  30          3HG1      VAL  30  -0.977  -3.253 -12.051
  225   HG21  VAL  30          3HG2      VAL  30   1.669  -4.230  -9.682
  226   HG22  VAL  30          1HG2      VAL  30   0.077  -4.989  -9.738
  227   HG23  VAL  30          2HG2      VAL  30   0.227  -3.241  -9.910
  228    H    THR  31           H        THR  31   0.339  -7.333 -13.575
  229    HA   THR  31           HA       THR  31   1.638  -6.240 -15.966
  230    HB   THR  31           HB       THR  31   0.513  -8.270 -17.075
  231    HG1  THR  31           HG1      THR  31  -0.757  -9.336 -15.761
  232   HG21  THR  31          3HG2      THR  31   2.325  -9.767 -16.353
  233   HG22  THR  31          1HG2      THR  31   2.666  -8.689 -14.999
  234   HG23  THR  31          2HG2      THR  31   2.910  -8.130 -16.653
  235    H    GLU  32           H        GLU  32   0.220  -5.851 -17.883
  236    HA   GLU  32           HA       GLU  32  -1.938  -4.189 -16.865
  237    HB2  GLU  32           2HB      GLU  32  -1.828  -3.040 -18.980
  238    HB3  GLU  32           3HB      GLU  32  -0.203  -3.236 -18.338
  239    HG2  GLU  32           2HG      GLU  32   0.190  -5.095 -19.851
  240    HG3  GLU  32           3HG      GLU  32  -1.457  -4.953 -20.468
  241    H    ASP  33           H        ASP  33  -3.696  -3.814 -18.671
  242    HA   ASP  33           HA       ASP  33  -5.443  -4.523 -19.939
  243    HB2  ASP  33           2HB      ASP  33  -3.761  -5.975 -21.131
  244    HB3  ASP  33           3HB      ASP  33  -4.196  -7.276 -20.027
  245    H    HIS  34           H        HIS  34  -4.683  -5.431 -16.950
  246    HA   HIS  34           HA       HIS  34  -6.577  -7.478 -16.386
  247    HB2  HIS  34           2HB      HIS  34  -6.113  -6.941 -14.005
  248    HB3  HIS  34           3HB      HIS  34  -4.652  -7.208 -14.950
  249    HD1  HIS  34           HD1      HIS  34  -2.921  -5.414 -14.865
  250    HD2  HIS  34           HD2      HIS  34  -6.612  -4.105 -13.471
  251    HE1  HIS  34           HE1      HIS  34  -2.537  -3.085 -14.009
  252    HE2  HIS  34           HE2      HIS  34  -4.823  -2.237 -13.379
  253    H    GLY  35           H        GLY  35  -6.886  -4.072 -16.763
  254    HA2  GLY  35           2HA      GLY  35  -8.792  -2.751 -16.618
  255    HA3  GLY  35           3HA      GLY  35  -9.678  -4.152 -16.027
  256    H    ALA  36           H        ALA  36  -9.536  -4.705 -13.795
  257    HA   ALA  36           HA       ALA  36  -8.461  -2.554 -12.077
  258    HB1  ALA  36           3HB      ALA  36 -10.906  -2.650 -11.973
  259    HB2  ALA  36           1HB      ALA  36 -10.187  -3.133 -10.437
  260    HB3  ALA  36           2HB      ALA  36 -10.824  -4.357 -11.535
  261    H    VAL  37           H        VAL  37  -7.513  -3.259 -10.065
  262    HA   VAL  37           HA       VAL  37  -6.337  -5.933 -10.285
  263    HB   VAL  37           HB       VAL  37  -5.603  -3.726  -8.353
  264   HG11  VAL  37          1HG1      VAL  37  -3.534  -4.999  -8.052
  265   HG12  VAL  37          2HG1      VAL  37  -4.143  -6.244  -9.143
  266   HG13  VAL  37          3HG1      VAL  37  -4.950  -5.951  -7.603
  267   HG21  VAL  37          3HG2      VAL  37  -5.225  -3.005 -10.652
  268   HG22  VAL  37          1HG2      VAL  37  -4.305  -4.476 -10.969
  269   HG23  VAL  37          2HG2      VAL  37  -3.697  -3.285  -9.818
  270    H    GLY  38           H        GLY  38  -7.702  -3.855  -7.748
  271    HA2  GLY  38           2HA      GLY  38  -9.400  -5.962  -6.790
  272    HA3  GLY  38           3HA      GLY  38  -8.054  -5.615  -5.709
  273    H    GLN  39           H        GLN  39 -11.127  -4.719  -6.745
  274    HA   GLN  39           HA       GLN  39 -12.602  -3.101  -6.364
  275    HB2  GLN  39           2HB      GLN  39 -12.741  -2.101  -4.138
  276    HB3  GLN  39           3HB      GLN  39 -12.489  -3.834  -4.080
  277    HG2  GLN  39           2HG      GLN  39 -10.030  -3.286  -3.701
  278    HG3  GLN  39           3HG      GLN  39 -10.575  -1.637  -3.390
  279   HE21  GLN  39          1HE2      GLN  39 -10.587  -4.926  -2.289
  280   HE22  GLN  39          2HE2      GLN  39 -11.197  -4.603  -0.695
  281    H    GLU  40           H        GLU  40  -9.675  -1.490  -5.063
  282    HA   GLU  40           HA       GLU  40 -10.307   0.893  -6.553
  283    HB2  GLU  40           2HB      GLU  40  -8.327   0.094  -4.525
  284    HB3  GLU  40           3HB      GLU  40  -7.719   1.229  -5.721
  285    HG2  GLU  40           2HG      GLU  40  -8.603   2.318  -3.697
  286    HG3  GLU  40           3HG      GLU  40  -9.427   2.818  -5.172
  287    H    MET  41           H        MET  41 -10.086   0.827  -8.677
  288    HA   MET  41           HA       MET  41  -8.138  -0.869  -9.964
  289    HB2  MET  41           2HB      MET  41  -9.083  -0.010 -12.060
  290    HB3  MET  41           3HB      MET  41 -10.341  -0.586 -10.976
  291    HG2  MET  41           2HG      MET  41 -10.878   1.686 -10.341
  292    HG3  MET  41           3HG      MET  41  -9.566   2.299 -11.347
  293    HE1  MET  41           3HE      MET  41 -13.277   0.157 -13.068
  294    HE2  MET  41           1HE      MET  41 -13.038   0.434 -11.342
  295    HE3  MET  41           2HE      MET  41 -11.979  -0.674 -12.213
  296    H    CYS  42           H        CYS  42  -8.135   2.211  -8.670
  297    HA   CYS  42           HA       CYS  42  -5.659   2.859 -10.077
  298    HB2  CYS  42           2HB      CYS  42  -6.426   5.288 -10.081
  299    HB3  CYS  42           3HB      CYS  42  -7.204   4.225 -11.249
  300    HG   CYS  42           HG       CYS  42  -9.570   4.941 -10.585
  301    H    CYS  43           H        CYS  43  -4.200   4.083  -8.862
  302    HA   CYS  43           HA       CYS  43  -4.552   3.818  -5.987
  303    HB2  CYS  43           2HB      CYS  43  -2.455   3.057  -6.916
  304    HB3  CYS  43           3HB      CYS  43  -2.200   4.598  -7.724
  305    HA   PRO  44           HA       PRO  44  -6.180   8.021  -6.054
  306    HB2  PRO  44           2HB      PRO  44  -6.398   8.194  -3.304
  307    HB3  PRO  44           3HB      PRO  44  -7.625   7.514  -4.375
  308    HG2  PRO  44           2HG      PRO  44  -5.546   6.117  -2.750
  309    HG3  PRO  44           3HG      PRO  44  -7.236   5.665  -3.039
  310    HD2  PRO  44           2HD      PRO  44  -5.227   4.453  -4.333
  311    HD3  PRO  44           3HD      PRO  44  -6.774   4.791  -5.138
  312    H    ILE  45           H        ILE  45  -3.478   6.890  -4.139
  313    HA   ILE  45           HA       ILE  45  -2.538   9.382  -3.208
  314    HB   ILE  45           HB       ILE  45  -0.908   6.899  -3.787
  315   HG12  ILE  45          2HG1      ILE  45  -2.329   7.698  -1.236
  316   HG13  ILE  45          3HG1      ILE  45  -2.872   6.443  -2.343
  317   HG21  ILE  45          1HG2      ILE  45   0.451   8.886  -3.396
  318   HG22  ILE  45          2HG2      ILE  45   0.598   7.748  -2.058
  319   HG23  ILE  45          3HG2      ILE  45  -0.407   9.187  -1.884
  320   HD11  ILE  45          3HD1      ILE  45  -0.859   5.158  -1.891
  321   HD12  ILE  45          1HD1      ILE  45  -1.740   5.507  -0.404
  322   HD13  ILE  45          2HD1      ILE  45  -0.287   6.424  -0.804
  323    H    CYS  46           H        CYS  46  -2.333   7.818  -6.285
  324    HA   CYS  46           HA       CYS  46  -0.336   9.795  -7.188
  325    HB2  CYS  46           2HB      CYS  46  -0.780   7.060  -8.391
  326    HB3  CYS  46           3HB      CYS  46   0.542   8.174  -8.720
  327    H    CYS  47           H        CYS  47  -3.511   9.131  -7.307
  328    HA   CYS  47           HA       CYS  47  -5.188   8.912  -8.843
  329    HB2  CYS  47           2HB      CYS  47  -5.472  10.918 -10.253
  330    HB3  CYS  47           3HB      CYS  47  -5.060  11.319  -8.594
  331    HG   CYS  47           HG       CYS  47  -2.244  11.190 -10.154
  332    H    SER  48           H        SER  48  -3.304   7.132  -9.453
  333    HA   SER  48           HA       SER  48  -3.350   7.016 -12.366
  334    HB2  SER  48           2HB      SER  48  -1.165   8.008 -11.791
  335    HB3  SER  48           3HB      SER  48  -0.836   6.660 -10.704
  336    HG   SER  48           HG       SER  48   0.164   6.139 -12.575
  337    H    GLU  49           H        GLU  49  -3.277   4.893 -13.168
  338    HA   GLU  49           HA       GLU  49  -4.351   2.966 -11.311
  339    HB2  GLU  49           2HB      GLU  49  -4.848   1.626 -13.221
  340    HB3  GLU  49           3HB      GLU  49  -5.213   3.292 -13.645
  341    HG2  GLU  49           2HG      GLU  49  -3.319   3.474 -15.017
  342    HG3  GLU  49           3HG      GLU  49  -2.594   2.011 -14.349
  343    H    TYR  50           H        TYR  50  -3.532   0.572 -12.212
  344    HA   TYR  50           HA       TYR  50  -0.716   0.493 -11.405
  345    HB2  TYR  50           2HB      TYR  50  -2.812  -1.698 -11.409
  346    HB3  TYR  50           3HB      TYR  50  -1.162  -1.856 -10.806
  347    HD1  TYR  50           HD2      TYR  50  -4.461  -0.348 -10.176
  348    HD2  TYR  50           HD1      TYR  50  -0.507  -0.891  -8.704
  349    HE1  TYR  50           HE2      TYR  50  -5.160   0.534  -7.988
  350    HE2  TYR  50           HE1      TYR  50  -1.195  -0.009  -6.515
  351    HH   TYR  50           HH       TYR  50  -4.346   0.344  -5.557
  352    H    VAL  51           H        VAL  51   0.661   0.365 -13.047
  353    HA   VAL  51           HA       VAL  51  -0.357  -0.600 -15.619
  354    HB   VAL  51           HB       VAL  51   1.503   0.630 -16.640
  355   HG11  VAL  51          1HG1      VAL  51   0.727   2.897 -16.117
  356   HG12  VAL  51          2HG1      VAL  51  -0.101   2.279 -14.687
  357   HG13  VAL  51          3HG1      VAL  51  -0.621   1.773 -16.294
  358   HG21  VAL  51          3HG2      VAL  51   2.903   2.113 -15.269
  359   HG22  VAL  51          1HG2      VAL  51   3.146   0.415 -14.860
  360   HG23  VAL  51          2HG2      VAL  51   2.170   1.445 -13.812
  361    H    LYS  52           H        LYS  52   1.323  -1.565 -17.095
  362    HA   LYS  52           HA       LYS  52   2.305  -3.973 -16.096
  363    HB2  LYS  52           2HB      LYS  52   1.760  -3.281 -18.482
  364    HB3  LYS  52           3HB      LYS  52   3.335  -2.504 -18.516
  365    HG2  LYS  52           2HG      LYS  52   4.321  -4.748 -17.949
  366    HG3  LYS  52           3HG      LYS  52   2.719  -5.427 -18.256
  367    HD2  LYS  52           2HD      LYS  52   2.975  -3.964 -20.465
  368    HD3  LYS  52           3HD      LYS  52   4.684  -4.261 -20.139
  369    HE2  LYS  52           2HE      LYS  52   4.184  -6.676 -20.008
  370    HE3  LYS  52           3HE      LYS  52   2.518  -6.318 -20.467
  371    HZ1  LYS  52           3HZ      LYS  52   3.349  -5.361 -22.541
  372    HZ2  LYS  52           1HZ      LYS  52   3.817  -6.986 -22.390
  373    HZ3  LYS  52           2HZ      LYS  52   4.937  -5.749 -22.098
  374    H    GLY  53           H        GLY  53   3.849  -4.091 -14.558
  375    HA2  GLY  53           2HA      GLY  53   6.227  -4.208 -14.199
  376    HA3  GLY  53           3HA      GLY  53   6.404  -2.736 -15.141
  377    H    ASP  54           H        ASP  54   3.779  -2.238 -13.270
  378    HA   ASP  54           HA       ASP  54   5.253  -0.572 -11.418
  379    HB2  ASP  54           2HB      ASP  54   2.932  -0.141 -12.600
  380    HB3  ASP  54           3HB      ASP  54   2.298  -1.041 -11.228
  381    H    VAL  55           H        VAL  55   5.208  -0.810  -9.140
  382    HA   VAL  55           HA       VAL  55   4.888  -3.606  -8.322
  383    HB   VAL  55           HB       VAL  55   6.423  -1.362  -6.998
  384   HG11  VAL  55          1HG1      VAL  55   6.208  -4.270  -6.215
  385   HG12  VAL  55          2HG1      VAL  55   5.523  -2.907  -5.330
  386   HG13  VAL  55          3HG1      VAL  55   7.272  -3.077  -5.471
  387   HG21  VAL  55          3HG2      VAL  55   7.352  -3.838  -8.450
  388   HG22  VAL  55          1HG2      VAL  55   8.394  -2.681  -7.623
  389   HG23  VAL  55          2HG2      VAL  55   7.469  -2.179  -9.038
  390    H    ALA  56           H        ALA  56   3.081  -4.108  -7.359
  391    HA   ALA  56           HA       ALA  56   1.766  -2.106  -5.642
  392    HB1  ALA  56           3HB      ALA  56  -0.304  -3.343  -6.008
  393    HB2  ALA  56           1HB      ALA  56   0.563  -4.519  -6.996
  394    HB3  ALA  56           2HB      ALA  56   0.413  -2.849  -7.543
  395    H    THR  57           H        THR  57   0.368  -3.285  -3.912
  396    HA   THR  57           HA       THR  57   1.506  -5.761  -2.950
  397    HB   THR  57           HB       THR  57   2.938  -3.912  -1.973
  398    HG1  THR  57           HG1      THR  57   2.988  -5.799  -0.867
  399   HG21  THR  57          3HG2      THR  57   2.011  -2.639  -0.094
  400   HG22  THR  57          1HG2      THR  57   0.415  -3.312  -0.421
  401   HG23  THR  57          2HG2      THR  57   1.181  -2.249  -1.601
  402    H    GLU  58           H        GLU  58   0.290  -6.333  -0.793
  403    HA   GLU  58           HA       GLU  58  -2.545  -5.639  -1.211
  404    HB2  GLU  58           2HB      GLU  58  -1.495  -8.011  -1.916
  405    HB3  GLU  58           3HB      GLU  58  -1.829  -8.351  -0.226
  406    HG2  GLU  58           2HG      GLU  58  -3.856  -7.381  -2.225
  407    HG3  GLU  58           3HG      GLU  58  -3.625  -9.060  -1.745
  408    H    LEU  59           H        LEU  59  -3.398  -4.755   0.534
  409    HA   LEU  59           HA       LEU  59  -2.024  -4.911   3.080
  410    HB2  LEU  59           2HB      LEU  59  -4.472  -3.397   2.175
  411    HB3  LEU  59           3HB      LEU  59  -3.813  -3.302   3.799
  412    HG   LEU  59           HG       LEU  59  -2.434  -2.420   1.259
  413   HD11  LEU  59          1HD1      LEU  59  -2.631  -0.183   2.229
  414   HD12  LEU  59          2HD1      LEU  59  -3.522  -0.853   3.596
  415   HD13  LEU  59          3HD1      LEU  59  -4.213  -0.918   1.975
  416   HD21  LEU  59          3HD2      LEU  59  -1.486  -2.330   4.122
  417   HD22  LEU  59          1HD2      LEU  59  -0.674  -1.579   2.748
  418   HD23  LEU  59          2HD2      LEU  59  -0.822  -3.334   2.833
  419    HA   PRO  60           HA       PRO  60  -4.420  -8.087   4.958
  420    HB2  PRO  60           2HB      PRO  60  -4.642  -7.134   7.517
  421    HB3  PRO  60           3HB      PRO  60  -3.184  -7.888   6.865
  422    HG2  PRO  60           2HG      PRO  60  -3.841  -4.981   7.156
  423    HG3  PRO  60           3HG      PRO  60  -2.321  -5.826   7.508
  424    HD2  PRO  60           2HD      PRO  60  -2.644  -4.416   5.252
  425    HD3  PRO  60           3HD      PRO  60  -1.717  -5.931   5.270
  426    H    CYS  61           H        CYS  61  -5.620  -4.919   4.679
  427    HA   CYS  61           HA       CYS  61  -8.247  -5.617   5.760
  428    HB2  CYS  61           2HB      CYS  61  -8.807  -3.273   5.459
  429    HB3  CYS  61           3HB      CYS  61  -7.256  -3.388   6.282
  430    H    HIS  62           H        HIS  62  -6.778  -6.436   3.111
  431    HA   HIS  62           HA       HIS  62  -7.263  -6.875   0.951
  432    HB2  HIS  62           2HB      HIS  62 -10.086  -6.294   1.857
  433    HB3  HIS  62           3HB      HIS  62  -9.690  -6.785   0.215
  434    HD1  HIS  62           HD1      HIS  62  -9.561  -9.229  -0.218
  435    HD2  HIS  62           HD2      HIS  62  -9.383  -8.328   3.839
  436    HE1  HIS  62           HE1      HIS  62  -9.624 -11.441   0.973
  437    HE2  HIS  62           HE2      HIS  62  -9.708 -10.863   3.423
  438    H    HIS  63           H        HIS  63  -6.077  -5.299   0.048
  439    HA   HIS  63           HA       HIS  63  -7.347  -3.247  -1.388
  440    HB2  HIS  63           2HB      HIS  63  -6.716  -2.541   1.337
  441    HB3  HIS  63           3HB      HIS  63  -5.744  -1.577   0.229
  442    HD2  HIS  63           HD2      HIS  63  -7.840  -0.850  -2.054
  443    HE1  HIS  63           HE1      HIS  63 -10.417   0.420   1.062
  444    HE2  HIS  63           HE2      HIS  63  -9.989   0.436  -1.427
  445    H    TYR  64           H        TYR  64  -6.099  -3.048  -3.107
  446    HA   TYR  64           HA       TYR  64  -3.242  -3.589  -2.869
  447    HB2  TYR  64           2HB      TYR  64  -5.036  -3.269  -5.281
  448    HB3  TYR  64           3HB      TYR  64  -3.298  -3.518  -5.379
  449    HD1  TYR  64           HD1      TYR  64  -6.507  -5.074  -4.460
  450    HD2  TYR  64           HD2      TYR  64  -2.337  -5.680  -5.034
  451    HE1  TYR  64           HE1      TYR  64  -6.861  -7.504  -4.413
  452    HE2  TYR  64           HE2      TYR  64  -2.678  -8.115  -4.991
  453    HH   TYR  64           HH       TYR  64  -4.328  -9.740  -4.114
  454    H    PHE  65           H        PHE  65  -1.750  -2.072  -2.996
  455    HA   PHE  65           HA       PHE  65  -2.329   0.484  -4.300
  456    HB2  PHE  65           2HB      PHE  65  -1.161   0.180  -1.521
  457    HB3  PHE  65           3HB      PHE  65  -1.047   1.661  -2.464
  458    HD1  PHE  65           HD2      PHE  65  -3.151   2.865  -3.091
  459    HD2  PHE  65           HD1      PHE  65  -3.085  -0.338  -0.290
  460    HE1  PHE  65           HE2      PHE  65  -5.337   3.585  -2.222
  461    HE2  PHE  65           HE1      PHE  65  -5.270   0.377   0.584
  462    HZ   PHE  65           HZ       PHE  65  -6.398   2.339  -0.382
  463    H    HIS  66           H        HIS  66  -0.076   1.731  -4.464
  464    HA   HIS  66           HA       HIS  66   1.818  -0.199  -5.523
  465    HB2  HIS  66           2HB      HIS  66   2.058   2.812  -5.300
  466    HB3  HIS  66           3HB      HIS  66   3.191   1.759  -6.131
  467    HD2  HIS  66           HD2      HIS  66   1.590   0.230  -8.272
  468    HE1  HIS  66           HE1      HIS  66  -0.419   3.856  -9.166
  469    HE2  HIS  66           HE2      HIS  66   0.453   1.687 -10.080
  470    H    LYS  67           H        LYS  67   3.461  -1.010  -4.392
  471    HA   LYS  67           HA       LYS  67   3.652  -0.692  -1.651
  472    HB2  LYS  67           2HB      LYS  67   4.530  -2.638  -2.850
  473    HB3  LYS  67           3HB      LYS  67   5.811  -1.645  -3.531
  474    HG2  LYS  67           2HG      LYS  67   6.804  -1.325  -1.382
  475    HG3  LYS  67           3HG      LYS  67   5.434  -2.098  -0.579
  476    HD2  LYS  67           2HD      LYS  67   5.976  -4.216  -1.585
  477    HD3  LYS  67           3HD      LYS  67   7.242  -3.469  -2.560
  478    HE2  LYS  67           2HE      LYS  67   7.224  -3.588   0.453
  479    HE3  LYS  67           3HE      LYS  67   8.120  -4.688  -0.593
  480    HZ1  LYS  67           3HZ      LYS  67   8.519  -1.761  -0.342
  481    HZ2  LYS  67           1HZ      LYS  67   9.302  -2.728  -1.491
  482    HZ3  LYS  67           2HZ      LYS  67   9.584  -2.974   0.169
  483    HA   PRO  68           HA       PRO  68   7.518   2.312  -2.473
  484    HB2  PRO  68           2HB      PRO  68   6.839   3.971  -4.626
  485    HB3  PRO  68           3HB      PRO  68   8.092   2.728  -4.620
  486    HG2  PRO  68           2HG      PRO  68   5.290   2.591  -5.634
  487    HG3  PRO  68           3HG      PRO  68   6.764   1.853  -6.290
  488    HD2  PRO  68           2HD      PRO  68   4.980   0.389  -4.954
  489    HD3  PRO  68           3HD      PRO  68   6.724   0.111  -4.750
  490    H    CYS  69           H        CYS  69   4.290   3.407  -3.617
  491    HA   CYS  69           HA       CYS  69   4.626   5.914  -2.269
  492    HB2  CYS  69           2HB      CYS  69   2.337   6.424  -3.048
  493    HB3  CYS  69           3HB      CYS  69   3.393   5.894  -4.346
  494    H    VAL  70           H        VAL  70   2.883   2.925  -1.578
  495    HA   VAL  70           HA       VAL  70   1.435   4.058   0.621
  496    HB   VAL  70           HB       VAL  70   0.699   2.015  -0.669
  497   HG11  VAL  70          1HG1      VAL  70   1.547  -0.163   0.053
  498   HG12  VAL  70          2HG1      VAL  70   2.777   0.643   1.026
  499   HG13  VAL  70          3HG1      VAL  70   2.798   0.802  -0.730
  500   HG21  VAL  70          3HG2      VAL  70  -0.266   0.906   1.289
  501   HG22  VAL  70          1HG2      VAL  70  -0.364   2.662   1.412
  502   HG23  VAL  70          2HG2      VAL  70   0.857   1.781   2.330
  503    H    SER  71           H        SER  71   4.541   2.530   0.199
  504    HA   SER  71           HA       SER  71   5.142   1.940   2.869
  505    HB2  SER  71           2HB      SER  71   6.514   1.190   0.943
  506    HB3  SER  71           3HB      SER  71   7.046   2.853   0.691
  507    HG   SER  71           HG       SER  71   7.388   1.802   3.244
  508    H    ILE  72           H        ILE  72   5.768   4.874   0.962
  509    HA   ILE  72           HA       ILE  72   6.986   6.362   3.005
  510    HB   ILE  72           HB       ILE  72   5.350   7.426   0.694
  511   HG12  ILE  72          2HG1      ILE  72   8.321   6.864   0.858
  512   HG13  ILE  72          3HG1      ILE  72   7.152   5.869  -0.005
  513   HG21  ILE  72          1HG2      ILE  72   5.799   9.103   2.405
  514   HG22  ILE  72          2HG2      ILE  72   6.721   9.438   0.939
  515   HG23  ILE  72          3HG2      ILE  72   7.520   8.722   2.339
  516   HD11  ILE  72          3HD1      ILE  72   6.656   7.750  -1.486
  517   HD12  ILE  72          1HD1      ILE  72   8.363   7.310  -1.529
  518   HD13  ILE  72          2HD1      ILE  72   7.842   8.732  -0.627
  519    H    TRP  73           H        TRP  73   3.617   5.927   2.111
  520    HA   TRP  73           HA       TRP  73   2.547   7.919   3.817
  521    HB2  TRP  73           2HB      TRP  73   1.200   7.182   1.995
  522    HB3  TRP  73           3HB      TRP  73   1.336   5.497   2.486
  523    HD1  TRP  73           HD1      TRP  73  -0.509   4.572   4.031
  524    HE1  TRP  73           HE1      TRP  73  -2.537   5.577   5.255
  525    HE3  TRP  73           HE3      TRP  73   0.427   9.530   3.201
  526    HZ2  TRP  73           HZ2      TRP  73  -3.599   8.138   5.791
  527    HZ3  TRP  73           HZ3      TRP  73  -1.147  11.192   4.105
  528    HH2  TRP  73           HH2      TRP  73  -3.118  10.508   5.372
  529    H    LEU  74           H        LEU  74   2.818   4.380   4.172
  530    HA   LEU  74           HA       LEU  74   1.620   4.299   6.731
  531    HB2  LEU  74           2HB      LEU  74   3.485   2.351   5.381
  532    HB3  LEU  74           3HB      LEU  74   2.628   2.025   6.876
  533    HG   LEU  74           HG       LEU  74   1.329   2.582   4.206
  534   HD11  LEU  74          1HD1      LEU  74   1.652   0.017   5.753
  535   HD12  LEU  74          2HD1      LEU  74   2.448   0.427   4.234
  536   HD13  LEU  74          3HD1      LEU  74   0.697   0.216   4.284
  537   HD21  LEU  74          3HD2      LEU  74   0.132   1.765   6.855
  538   HD22  LEU  74          1HD2      LEU  74  -0.741   1.909   5.329
  539   HD23  LEU  74          2HD2      LEU  74  -0.038   3.341   6.081
  540    H    GLN  75           H        GLN  75   4.865   4.955   5.677
  541    HA   GLN  75           HA       GLN  75   6.079   4.658   8.253
  542    HB2  GLN  75           2HB      GLN  75   6.954   6.027   5.720
  543    HB3  GLN  75           3HB      GLN  75   7.936   6.032   7.178
  544    HG2  GLN  75           2HG      GLN  75   8.081   3.621   7.134
  545    HG3  GLN  75           3HG      GLN  75   7.002   3.555   5.745
  546   HE21  GLN  75          1HE2      GLN  75   8.237   5.858   4.435
  547   HE22  GLN  75          2HE2      GLN  75   9.750   5.303   3.822
  548    H    LYS  76           H        LYS  76   3.848   6.800   7.153
  549    HA   LYS  76           HA       LYS  76   4.739   8.901   9.020
  550    HB2  LYS  76           2HB      LYS  76   2.741   9.063   6.750
  551    HB3  LYS  76           3HB      LYS  76   3.144  10.382   7.839
  552    HG2  LYS  76           2HG      LYS  76   5.421  10.400   7.023
  553    HG3  LYS  76           3HG      LYS  76   5.074   9.021   5.977
  554    HD2  LYS  76           2HD      LYS  76   3.444  10.351   4.745
  555    HD3  LYS  76           3HD      LYS  76   3.745  11.726   5.810
  556    HE2  LYS  76           2HE      LYS  76   6.097  11.736   5.084
  557    HE3  LYS  76           3HE      LYS  76   5.740  10.415   3.973
  558    HZ1  LYS  76           3HZ      LYS  76   4.255  11.824   2.756
  559    HZ2  LYS  76           1HZ      LYS  76   5.744  12.622   2.919
  560    HZ3  LYS  76           2HZ      LYS  76   4.432  13.078   3.887
  561    H    SER  77           H        SER  77   1.895   7.125   7.864
  562    HA   SER  77           HA       SER  77   0.896   6.998  10.598
  563    HB2  SER  77           2HB      SER  77  -0.744   8.070   8.284
  564    HB3  SER  77           3HB      SER  77  -1.381   7.693   9.885
  565    HG   SER  77           HG       SER  77   0.538   9.224  10.476
  566    H    GLY  78           H        GLY  78   0.470   4.936  10.998
  567    HA2  GLY  78           2HA      GLY  78   0.242   3.014   8.877
  568    HA3  GLY  78           3HA      GLY  78   0.126   2.687  10.600
  569    H    THR  79           H        THR  79  -1.693   4.180   7.937
  570    HA   THR  79           HA       THR  79  -4.081   2.734   8.812
  571    HB   THR  79           HB       THR  79  -4.617   5.534   8.007
  572    HG1  THR  79           HG1      THR  79  -2.851   5.056   9.937
  573   HG21  THR  79          3HG2      THR  79  -5.685   3.756  10.200
  574   HG22  THR  79          1HG2      THR  79  -6.408   3.998   8.609
  575   HG23  THR  79          2HG2      THR  79  -6.326   5.338   9.754
  576    H    CYS  80           H        CYS  80  -5.377   2.137   7.116
  577    HA   CYS  80           HA       CYS  80  -4.437   2.507   4.436
  578    HB2  CYS  80           2HB      CYS  80  -5.674   0.478   5.237
  579    HB3  CYS  80           3HB      CYS  80  -7.121   1.461   5.376
  580    HA   PRO  81           HA       PRO  81  -6.071   6.636   4.293
  581    HB2  PRO  81           2HB      PRO  81  -5.721   7.025   1.586
  582    HB3  PRO  81           3HB      PRO  81  -4.464   7.232   2.808
  583    HG2  PRO  81           2HG      PRO  81  -5.000   4.902   1.012
  584    HG3  PRO  81           3HG      PRO  81  -3.448   5.617   1.490
  585    HD2  PRO  81           2HD      PRO  81  -4.350   3.350   2.605
  586    HD3  PRO  81           3HD      PRO  81  -3.452   4.555   3.552
  587    H    VAL  82           H        VAL  82  -7.328   4.064   2.290
  588    HA   VAL  82           HA       VAL  82  -9.505   5.697   1.295
  589    HB   VAL  82           HB       VAL  82  -9.005   2.743   0.895
  590   HG11  VAL  82          1HG1      VAL  82 -11.347   3.345   0.567
  591   HG12  VAL  82          2HG1      VAL  82 -10.579   2.944  -0.969
  592   HG13  VAL  82          3HG1      VAL  82 -10.871   4.630  -0.542
  593   HG21  VAL  82          3HG2      VAL  82  -7.205   4.096  -0.027
  594   HG22  VAL  82          1HG2      VAL  82  -8.376   5.097  -0.885
  595   HG23  VAL  82          2HG2      VAL  82  -8.181   3.398  -1.319
  596    H    CYS  83           H        CYS  83  -9.335   2.655   3.203
  597    HA   CYS  83           HA       CYS  83 -12.140   3.059   3.908
  598    HB2  CYS  83           2HB      CYS  83 -12.121   0.741   4.674
  599    HB3  CYS  83           3HB      CYS  83 -11.499   0.856   3.032
  600    H    ARG  84           H        ARG  84  -9.110   3.633   5.196
  601    HA   ARG  84           HA       ARG  84  -8.318   4.285   7.195
  602    HB2  ARG  84           2HB      ARG  84 -11.220   4.652   7.931
  603    HB3  ARG  84           3HB      ARG  84  -9.848   5.308   8.810
  604    HG2  ARG  84           2HG      ARG  84 -10.609   5.991   5.977
  605    HG3  ARG  84           3HG      ARG  84 -10.895   6.994   7.401
  606    HD2  ARG  84           2HD      ARG  84  -8.570   7.316   7.748
  607    HD3  ARG  84           3HD      ARG  84  -8.155   6.072   6.568
  608    HE   ARG  84           HE       ARG  84  -9.315   7.692   4.939
  609   HH11  ARG  84          1HH1      ARG  84  -7.406   8.655   7.712
  610   HH12  ARG  84          2HH1      ARG  84  -6.889  10.150   6.990
  611   HH21  ARG  84          1HH2      ARG  84  -8.623   9.659   3.994
  612   HH22  ARG  84          2HH2      ARG  84  -7.584  10.718   4.895
  613    H    CYS  85           H        CYS  85  -7.538   2.206   7.458
  614    HA   CYS  85           HA       CYS  85  -8.616   0.876   9.824
  615    HB2  CYS  85           2HB      CYS  85  -9.347  -0.437   7.855
  616    HB3  CYS  85           3HB      CYS  85  -7.677  -0.548   7.314
  617    HG   CYS  85           HG       CYS  85  -8.359  -1.734  10.408
  618    H    MET  86           H        MET  86  -7.016   0.243  11.230
  619    HA   MET  86           HA       MET  86  -4.518   1.579  10.883
  620    HB2  MET  86           2HB      MET  86  -5.714   1.384  13.060
  621    HB3  MET  86           3HB      MET  86  -5.345  -0.333  13.068
  622    HG2  MET  86           2HG      MET  86  -2.954   0.183  13.103
  623    HG3  MET  86           3HG      MET  86  -3.332   1.904  13.111
  624    HE1  MET  86           3HE      MET  86  -5.151   2.287  16.581
  625    HE2  MET  86           1HE      MET  86  -5.911   1.944  15.028
  626    HE3  MET  86           2HE      MET  86  -4.606   3.125  15.127
  627    H    PHE  87           H        PHE  87  -2.515   0.778  10.533
  628    HA   PHE  87           HA       PHE  87  -2.184  -2.127  10.294
  629    HB2  PHE  87           2HB      PHE  87  -2.423  -1.324   8.014
  630    HB3  PHE  87           3HB      PHE  87  -1.234  -0.056   8.298
  631    HD1  PHE  87           HD1      PHE  87  -1.631  -3.749   8.214
  632    HD2  PHE  87           HD2      PHE  87   1.020  -0.438   7.861
  633    HE1  PHE  87           HE1      PHE  87   0.157  -5.265   7.463
  634    HE2  PHE  87           HE2      PHE  87   2.813  -1.949   7.108
  635    HZ   PHE  87           HZ       PHE  87   2.380  -4.365   6.909
  636    HA   PRO  88           HA       PRO  88  -1.230  -3.557  11.032
  637    HB2  PRO  88           2HB      PRO  88  -0.459  -4.627  13.387
  638    HB3  PRO  88           3HB      PRO  88   0.595  -4.623  11.968
  639    HG2  PRO  88           2HG      PRO  88   0.604  -2.803  14.342
  640    HG3  PRO  88           3HG      PRO  88   1.972  -3.542  13.491
  641    HD2  PRO  88           2HD      PRO  88   1.170  -0.961  13.098
  642    HD3  PRO  88           3HD      PRO  88   1.984  -1.934  11.859
  643    HA   PRO  89           HA       PRO  89  -4.956  -2.520  13.144
  644    HB2  PRO  89           2HB      PRO  89  -5.161  -5.407  13.835
  645    HB3  PRO  89           3HB      PRO  89  -6.322  -4.360  13.010
  646    HG2  PRO  89           2HG      PRO  89  -4.902  -6.146  11.642
  647    HG3  PRO  89           3HG      PRO  89  -5.232  -4.538  10.968
  648    HD2  PRO  89           2HD      PRO  89  -2.719  -5.606  12.190
  649    HD3  PRO  89           3HD      PRO  89  -2.927  -4.515  10.804
  650    HA   PRO  90           HA       PRO  90  -3.922  -1.987  17.377
  651    HB2  PRO  90           2HB      PRO  90  -6.424  -1.681  18.449
  652    HB3  PRO  90           3HB      PRO  90  -5.576  -0.417  17.553
  653    HG2  PRO  90           2HG      PRO  90  -7.686  -2.317  16.614
  654    HG3  PRO  90           3HG      PRO  90  -7.501  -0.586  16.270
  655    HD2  PRO  90           2HD      PRO  90  -6.774  -2.472  14.493
  656    HD3  PRO  90           3HD      PRO  90  -5.874  -0.951  14.668
  657    H    LEU  91           H        LEU  91  -3.902  -3.018  19.372
  658    HA   LEU  91           HA       LEU  91  -5.022  -5.734  19.375
  659    HB2  LEU  91           2HB      LEU  91  -2.683  -4.586  20.908
  660    HB3  LEU  91           3HB      LEU  91  -3.279  -6.226  21.072
  661    HG   LEU  91           HG       LEU  91  -2.105  -5.051  18.551
  662   HD11  LEU  91          1HD1      LEU  91  -0.203  -6.508  19.003
  663   HD12  LEU  91          2HD1      LEU  91  -0.937  -7.007  20.526
  664   HD13  LEU  91          3HD1      LEU  91  -0.426  -5.333  20.299
  665   HD21  LEU  91          3HD2      LEU  91  -2.138  -7.357  17.741
  666   HD22  LEU  91          1HD2      LEU  91  -3.763  -6.776  18.099
  667   HD23  LEU  91          2HD2      LEU  91  -2.949  -7.866  19.222