*HEADER    HORMONE/GROWTH FACTOR                   18-APR-01   1IOX              
*TITLE     NMR STRUCTURE OF HUMAN BETACELLULIN-2                                 
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: BETACELLULIN;                                              
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: RESIDUES 62-111;                                           
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   5 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   6 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   7 EXPRESSION_SYSTEM_PLASMID: PBO41                                     
*KEYWDS    EGF-LIKE FOLD                                                         
*EXPDTA    NMR, 40 STRUCTURES                                                    
*AUTHOR    K.MIURA, H.DOURA, T.AIZAWA, H.TADA, M.SENO, H.YAMADA,                 
*AUTHOR   2 K.KAWANO                                                             
*REVDAT   1   24-JUL-02 1IOX    0                                                
!H-bond
assign (resid 8 and  name N    ) (resid 21 and  name O    ) 3.0 0.3 0.3
assign (resid 8 and  name HN   ) (resid 21 and  name O    ) 2.0 0.2 0.2
assign (resid 12 and  name N    ) (resid 9 and  name O    ) 3.0 0.3 0.3
assign (resid 12 and  name HN   ) (resid 9 and  name O    ) 2.0 0.2 0.2
assign (resid 13 and  name N    ) (resid 10 and  name O    ) 3.0 0.3 0.3
assign (resid 13 and  name HN   ) (resid 10 and  name O    ) 2.0 0.2 0.2
assign (resid 16 and  name N    ) (resid 13 and  name O    ) 3.0 0.5 0.5
assign (resid 16 and  name HN   ) (resid 13 and  name O    ) 2.0 0.5 0.5
assign (resid 17 and  name N    ) (resid 42 and  name O    ) 3.0 0.3 0.3
assign (resid 17 and  name HN   ) (resid 42 and  name O    ) 2.0 0.2 0.2
assign (resid 18 and  name N    ) (resid 43 and  name O    ) 3.0 0.3 0.3
assign (resid 18 and  name HN   ) (resid 43 and  name O    ) 2.0 0.2 0.2
assign (resid 22 and  name N    ) (resid 31 and  name O    ) 3.0 0.3 0.3
assign (resid 22 and  name HN   ) (resid 31 and  name O    ) 2.0 0.2 0.2
assign (resid 23 and  name N    ) (resid 6 and  name O    ) 3.0 0.3 0.3
assign (resid 23 and  name HN   ) (resid 6 and  name O    ) 2.0 0.2 0.2
assign (resid 24 and  name N    ) (resid 29 and  name O    ) 3.0 0.3 0.3
assign (resid 24 and  name HN   ) (resid 29 and  name O    ) 2.0 0.2 0.2
assign (resid 29 and  name N    ) (resid 24 and  name O    ) 3.0 0.3 0.3
assign (resid 29 and  name HN   ) (resid 24 and  name O    ) 2.0 0.2 0.2
assign (resid 31 and  name N    ) (resid 22 and  name O    ) 3.0 0.3 0.3
assign (resid 31 and  name HN   ) (resid 22 and  name O    ) 2.0 0.2 0.2
assign (resid 35 and  name N    ) (resid 18 and  name O    ) 3.0 0.3 0.3
assign (resid 35 and  name HN   ) (resid 18 and  name O    ) 2.0 0.2 0.2
assign (resid 38 and  name N    ) (resid 35 and  name O    ) 3.0 0.3 0.3
assign (resid 38 and  name HN   ) (resid 35 and  name O    ) 2.0 0.2 0.2
assign (resid 33 and  name N    ) (resid 20 and  name O    ) 3.0 0.3 0.3
assign (resid 33 and  name HN   ) (resid 20 and  name O    ) 2.0 0.2 0.2
assign (resid 20 and  name N    ) (resid 33 and  name O    ) 3.0 0.3 0.3
assign (resid 20 and  name HN   ) (resid 33 and  name O    ) 2.0 0.2 0.2
assign (resid 47 and  name N    ) (resid 37 and  name O    ) 3.0 0.3 0.3
assign (resid 47 and  name HN   ) (resid 37 and  name O    ) 2.0 0.2 0.2
assign (resid 39 and  name N    ) (resid 45 and  name O    ) 3.0 0.3 0.3
assign (resid 39 and  name HN   ) (resid 45 and  name O    ) 2.0 0.2 0.2
assign (resid 45 and  name N    ) (resid 39 and  name O    ) 3.0 0.3 0.3
assign (resid 45 and  name HN   ) (resid 39 and  name O    ) 2.0 0.2 0.2

!intra-residue NOEs
assign (resid   4 and name   HA) (resid   4 and name  HB*)  2.96  0.50  0.50
assign (resid   5 and name   HA) (resid   5 and name  HB1)  2.80  0.53  0.53
assign (resid   5 and name   HA) (resid   5 and name  HB2)  3.30  0.50  0.50
assign (resid   5 and name  HD1) (resid   5 and name   HA)  2.96  0.72  0.72
assign (resid   5 and name  HD2) (resid   5 and name  HB2)  2.55  0.50  0.50
assign (resid   5 and name  HE1) (resid   5 and name  HB1)  4.35  0.65  0.65
assign (resid   5 and name  HD1) (resid   5 and name  HB1)  3.09  0.75  0.76
assign (resid   6 and name   HA) (resid   6 and name  HB1)  3.00  0.96  0.96
assign (resid   6 and name   HA) (resid   6 and name  HB2)  2.67  0.57  0.58
assign (resid   6 and name  HB1) (resid   6 and name  HB2)  2.48  0.78  0.78
assign (resid   7 and name   HA) (resid   7 and name  HB*)  2.94  1.24  1.24
assign (resid   8 and name  HB1) (resid   8 and name  HB2)  2.71  1.01  1.00
assign (resid   9 and name  HD*) (resid   9 and name  HG*)  3.34  1.48  1.48
assign (resid   9 and name  HD*) (resid   9 and name  HB2)  3.14  1.31  1.31
assign (resid  10 and name   HA) (resid  10 and name  HB*)  3.04  1.34  1.33
assign (resid  12 and name  HD2) (resid  12 and name   HA)  2.96  0.73  0.74
assign (resid  12 and name   HA) (resid  12 and name  HB1)  2.70  0.54  0.53
assign (resid  12 and name   HA) (resid  12 and name  HB2)  3.00  0.58  0.68
assign (resid  12 and name  HD1) (resid  12 and name  HB1)  3.55  0.67  0.67
assign (resid  12 and name  HD2) (resid  12 and name  HB1)  2.56  0.50  0.50
assign (resid  12 and name  HD1) (resid  12 and name  HB2)  2.80  1.10  1.10
assign (resid  12 and name  HB1) (resid  12 and name  HB2)  2.96  1.23  1.24
assign (resid  13 and name   HA) (resid  13 and name  HB*)  3.12  1.39  1.38
assign (resid  13 and name  HB*) (resid  13 and name  HD*)  2.96  1.26  1.26
assign (resid  13 and name  HB*) (resid  13 and name  HG*)  3.06  1.36  1.36
assign (resid  13 and name  HD*) (resid  13 and name  HG*)  3.35  1.49  1.48
assign (resid  14 and name   HA) (resid  14 and name  HB1)  2.04  0.66  0.66
assign (resid  14 and name   HA) (resid  14 and name  HB2)  2.66  0.53  0.52
assign (resid  14 and name  HB1) (resid  14 and name  HB2)  2.62  0.92  0.92
assign (resid  15 and name  HD1) (resid  15 and name   HA)  4.06  0.52  0.52
assign (resid  15 and name  HD1) (resid  15 and name  HB1)  2.50  0.56  0.56
assign (resid  15 and name  HD1) (resid  15 and name  HB2)  3.54  0.54  0.54
assign (resid  15 and name  HD2) (resid  15 and name  HB2)  2.80  0.68  0.68
assign (resid  15 and name   HA) (resid  15 and name  HB2)  3.24  1.35  1.35
assign (resid  15 and name  HB1) (resid  15 and name  HB2)  2.90  1.20  1.20
assign (resid  16 and name   HA) (resid  16 and name  HB1)  2.50  0.62  0.62
assign (resid  16 and name   HA) (resid  16 and name  HB2)  3.12  1.30  1.30
assign (resid  16 and name  HB1) (resid  16 and name  HB2)  2.73  1.03  1.04
assign (resid  17 and name   HA) (resid  17 and name   HB)  2.75  1.05  1.04
assign (resid  17 and name   HA) (resid  17 and name HG2*)  3.35  1.54  1.54
assign (resid  17 and name   HA) (resid  17 and name HD1*)  3.56  1.64  1.64
assign (resid  17 and name   HB) (resid  17 and name HG2*)  3.47  1.59  1.59
assign (resid  17 and name   HB) (resid  17 and name HD1*)  4.28  1.99  1.99
assign (resid  18 and name   HA) (resid  18 and name  HG*)  3.54  1.57  1.58
assign (resid  18 and name  HD*) (resid  18 and name  HG*)  3.06  1.36  1.35
assign (resid  19 and name  HA1) (resid  19 and name  HA2)  2.89  1.19  1.19
assign (resid  20 and name   HA) (resid  20 and name  HB*)  3.56  1.58  1.58
assign (resid  20 and name   HA) (resid  20 and name  HG*)  3.44  1.53  1.52
assign (resid  20 and name  HD*) (resid  20 and name  HB*)  3.27  1.45  1.45
assign (resid  20 and name  HD*) (resid  20 and name  HG*)  3.09  1.37  1.37
assign (resid  21 and name   HA) (resid  21 and name  HB1)  3.19  1.32  1.32
assign (resid  21 and name   HA) (resid  21 and name  HB2)  2.59  1.38  1.38
assign (resid  21 and name  HB1) (resid  21 and name  HB2)  2.75  1.05  1.05
assign (resid  22 and name   HA) (resid  22 and name  HB*)  4.12  1.86  1.85
assign (resid  23 and name  HD1) (resid  23 and name   HA)  2.96  0.73  0.73
assign (resid  23 and name  HD2) (resid  23 and name  HB1)  3.40  0.51  0.51
assign (resid  23 and name  HD2) (resid  23 and name  HB2)  2.39  0.51  0.51
assign (resid  23 and name   HA) (resid  23 and name  HB2)  2.52  0.59  0.59
assign (resid  23 and name  HE1) (resid  23 and name   HA)  3.82  0.94  0.94
assign (resid  23 and name  HB1) (resid  23 and name  HB2)  2.27  0.57  0.57
assign (resid  24 and name   HA) (resid  24 and name   HB)  2.96  1.23  1.22
assign (resid  24 and name   HA) (resid  24 and name HG1*)  3.46  1.59  1.59
assign (resid  24 and name   HA) (resid  24 and name HG2*)  3.34  1.53  1.54
assign (resid  24 and name   HB) (resid  24 and name HG1*)  3.55  1.63  1.63
assign (resid  24 and name   HB) (resid  24 and name HG2*)  3.53  1.62  1.62
assign (resid  25 and name   HA) (resid  25 and name   HB)  3.03  1.26  1.25
assign (resid  25 and name   HA) (resid  25 and name HG1*)  3.46  1.59  1.59
assign (resid  26 and name   HA) (resid  26 and name  HB*)  3.15  1.45  1.44
assign (resid  27 and name   HA) (resid  27 and name  HG*)  2.91  1.21  1.21
assign (resid  27 and name   HA) (resid  27 and name  HB*)  3.42  1.52  1.52
assign (resid  27 and name  HG*) (resid  27 and name  HB*)  3.09  1.37  1.37
assign (resid  28 and name   HA) (resid  28 and name  HG*)  3.11  1.38  1.38
assign (resid  29 and name   HA) (resid  29 and name   HB)  3.13  1.30  1.30
assign (resid  29 and name   HA) (resid  29 and name HG2*)  2.71  0.71  1.01
assign (resid  29 and name   HB) (resid  29 and name HG2*)  3.35  1.54  1.54
assign (resid  30 and name   HA) (resid  30 and name  HB2)  2.71  1.01  1.00
assign (resid  30 and name  HD*) (resid  30 and name  HG2)  3.08  1.28  1.28
assign (resid  30 and name  HD*) (resid  30 and name  HG1)  2.96  1.23  1.22
assign (resid  31 and name   HA) (resid  31 and name  HB*)  2.51  0.51  0.51
assign (resid  32 and name   HA) (resid  32 and name  HB1)  3.26  1.36  1.36
assign (resid  32 and name   HA) (resid  32 and name  HB2)  2.54  0.76  0.76
assign (resid  32 and name  HB1) (resid  32 and name  HB2)  2.69  0.99  1.00
assign (resid  33 and name   HA) (resid  33 and name   HB)  3.14  1.31  1.31
assign (resid  33 and name   HA) (resid  33 and name HG1*)  3.40  1.56  1.56
assign (resid  33 and name   HA) (resid  33 and name HG2*)  3.35  1.54  1.54
assign (resid  33 and name   HB) (resid  33 and name HG1*)  3.23  1.49  1.49
assign (resid  33 and name HG1*) (resid  33 and name HG2*)  2.85  1.15  1.15
assign (resid  34 and name   HA) (resid  34 and name  HB1)  2.67  0.62  0.62
assign (resid  34 and name   HA) (resid  34 and name  HB2)  3.23  1.35  1.35
assign (resid  34 and name  HB1) (resid  34 and name  HB2)  2.73  1.03  1.04
assign (resid  35 and name   HA) (resid  35 and name  HB1)  2.79  0.52  0.52
assign (resid  35 and name  HB1) (resid  35 and name  HB2)  2.71  1.01  1.02
assign (resid  38 and name   HA) (resid  38 and name  HB1)  2.83  0.81  0.81
assign (resid  38 and name   HA) (resid  38 and name  HB2)  2.47  0.74  0.74
assign (resid  38 and name  HD2) (resid  38 and name   HA)  3.56  0.74  0.74
assign (resid  38 and name  HD1) (resid  38 and name  HB2)  2.56  0.56  0.56
assign (resid  38 and name  HB1) (resid  38 and name  HB2)  2.83  1.14  1.14
assign (resid  39 and name   HB) (resid  39 and name HG1*)  3.77  1.68  1.68
assign (resid  39 and name   HB) (resid  39 and name HG2*)  3.28  1.51  1.50
assign (resid  39 and name HG1*) (resid  39 and name HD1*)  3.40  1.56  1.56
assign (resid  40 and name  HA1) (resid  40 and name  HA2)  2.04  0.54  0.54
assign (resid  41 and name   HA) (resid  41 and name  HB*)  3.08  1.38  1.38
assign (resid  42 and name   HA) (resid  42 and name  HB2)  3.33  1.39  1.39
assign (resid  42 and name   HA) (resid  42 and name  HB1)  3.33  1.39  1.39
assign (resid  42 and name  HB2) (resid  42 and name  HG*)  3.41  1.51  1.51
assign (resid  42 and name  HB1) (resid  42 and name  HG*)  4.08  1.83  1.83
assign (resid  42 and name   HA) (resid  42 and name  HG*)  3.84  1.71  1.71
assign (resid  43 and name   HA) (resid  43 and name  HB1)  3.04  1.27  1.26
assign (resid  45 and name   HA) (resid  45 and name  HB*)  4.04  1.81  1.82
assign (resid  45 and name   HA) (resid  45 and name  HG*)  3.86  1.72  1.72
assign (resid  46 and name   HA) (resid  46 and name HG1*)  3.71  1.70  1.70
assign (resid  46 and name   HA) (resid  46 and name HG2*)  3.77  1.73  1.73
assign (resid  46 and name   HB) (resid  46 and name HG2*)  3.57  1.64  1.64
assign (resid  46 and name   HB) (resid  46 and name HG1*)  3.50  1.61  1.61
assign (resid  47 and name   HA) (resid  47 and name  HB1)  3.29  1.38  1.38
assign (resid  47 and name   HA) (resid  47 and name  HB2)  2.83  1.13  1.12
assign (resid  47 and name  HB1) (resid  47 and name  HB2)  2.69  0.99  0.98
assign (resid  48 and name   HA) (resid  48 and name  HB*)  3.88  1.73  1.74
assign (resid  48 and name   HA) (resid  48 and name HD2*)  3.62  1.67  1.67
assign (resid  49 and name   HA) (resid  49 and name  HB1)  3.04  1.26  1.26
assign (resid  49 and name   HA) (resid  49 and name  HB2)  3.35  1.40  1.40
assign (resid  49 and name  HB1) (resid  49 and name  HB2)  2.61  0.91  0.91
assign (resid  50 and name   HA) (resid  50 and name  HB1)  2.99  1.24  1.24
assign (resid  50 and name   HA) (resid  50 and name  HB2)  3.23  1.35  1.35
assign (resid   3 and name   HN) (resid   3 and name  HA*)  3.39  1.48  1.48
assign (resid   4 and name   HN) (resid   4 and name   HA)  2.96  0.75  0.76
assign (resid   4 and name   HN) (resid   4 and name  HB*)  3.02  0.88  0.88
assign (resid   5 and name   HN) (resid   5 and name   HA)  2.98  0.79  0.79
assign (resid   5 and name   HN) (resid   5 and name  HB1)  2.95  0.93  0.93
assign (resid   5 and name   HN) (resid   5 and name  HB2)  2.41  0.82  0.81
assign (resid   5 and name   HN) (resid   5 and name  HD2)  3.09  0.73  0.73
assign (resid   6 and name   HN) (resid   6 and name   HA)  2.97  0.77  0.77
assign (resid   6 and name   HN) (resid   6 and name  HB1)  3.19  0.85  0.85
assign (resid   6 and name   HN) (resid   6 and name  HB2)  3.26  0.87  0.87
assign (resid   7 and name   HN) (resid   7 and name   HA)  3.00  0.74  0.74
assign (resid   7 and name   HN) (resid   7 and name  HB*)  2.70  0.67  0.67
assign (resid   7 and name   HN) (resid   7 and name  HG*)  3.69  0.98  0.98
assign (resid   8 and name   HN) (resid   8 and name   HA)  2.98  0.81  0.81
assign (resid   8 and name   HN) (resid   8 and name  HB1)  2.81  0.75  0.75
assign (resid   8 and name   HN) (resid   8 and name  HB2)  2.52  0.66  0.66
assign (resid  10 and name   HN) (resid  10 and name   HA)  2.96  0.72  0.72
assign (resid  11 and name   HN) (resid  11 and name   HA)  2.96  0.73  0.73
assign (resid  11 and name   HN) (resid  11 and name  HB*)  2.60  0.50  0.50
assign (resid  11 and name   HN) (resid  11 and name  HG*)  3.62  1.02  1.03
assign (resid  12 and name   HN) (resid  12 and name   HA)  2.97  0.77  0.77
assign (resid  12 and name   HN) (resid  12 and name  HB1)  3.12  0.82  0.81
assign (resid  12 and name   HN) (resid  12 and name  HB2)  2.56  0.77  0.77
assign (resid  13 and name   HN) (resid  13 and name   HA)  2.96  0.73  0.73
assign (resid  13 and name   HN) (resid  13 and name  HB*)  2.91  0.64  0.64
assign (resid  13 and name   HN) (resid  13 and name  HD*)  3.63  1.02  1.03
assign (resid  13 and name   HN) (resid  13 and name  HG*)  4.07  1.17  1.17
assign (resid  14 and name   HN) (resid  14 and name  HB1)  3.09  0.59  0.58
assign (resid  14 and name   HN) (resid  14 and name  HB2)  2.50  0.50  0.50
assign (resid  15 and name   HN) (resid  15 and name   HA)  2.96  0.74  0.75
assign (resid  15 and name   HN) (resid  15 and name  HB1)  3.00  0.76  0.76
assign (resid  15 and name   HN) (resid  15 and name  HB2)  3.01  0.76  0.77
assign (resid  15 and name   HN) (resid  15 and name  HD1)  3.31  0.85  0.85
assign (resid  16 and name   HN) (resid  16 and name   HA)  2.97  0.78  0.79
assign (resid  16 and name   HN) (resid  16 and name  HB1)  3.29  0.59  0.58
assign (resid  16 and name   HN) (resid  16 and name  HB2)  2.55  0.52  0.51
assign (resid  17 and name   HN) (resid  17 and name   HA)  2.96  0.72  0.72
assign (resid  17 and name   HN) (resid  17 and name   HB)  2.52  0.58  0.58
assign (resid  17 and name   HN) (resid  17 and name HD1*)  5.09  1.64  1.64
assign (resid  17 and name   HN) (resid  17 and name HG2*)  4.90  1.55  1.54
assign (resid  18 and name   HN) (resid  18 and name   HA)  2.98  0.79  0.79
assign (resid  18 and name   HN) (resid  18 and name  HB*)  2.96  0.88  0.89
assign (resid  18 and name   HN) (resid  18 and name  HD*)  3.23  0.98  0.98
assign (resid  19 and name   HN) (resid  19 and name  HA1)  2.54  0.53  0.53
assign (resid  19 and name   HN) (resid  19 and name  HA2)  3.04  0.59  0.59
assign (resid  20 and name   HN) (resid  20 and name   HA)  2.97  0.78  0.79
assign (resid  20 and name   HN) (resid  20 and name  HB*)  3.46  1.06  1.06
assign (resid  20 and name   HN) (resid  20 and name  HG*)  3.37  1.02  1.02
assign (resid  21 and name   HN) (resid  21 and name   HA)  2.98  0.77  0.77
assign (resid  21 and name   HN) (resid  21 and name  HB1)  2.67  0.58  0.59
assign (resid  21 and name   HN) (resid  21 and name  HB2)  3.49  0.59  0.59
assign (resid  22 and name   HN) (resid  22 and name   HA)  2.98  0.80  0.80
assign (resid  22 and name   HN) (resid  22 and name  HB*)  3.63  1.16  1.16
assign (resid  23 and name   HN) (resid  23 and name  HB1)  3.00  0.80  0.80
assign (resid  23 and name   HN) (resid  23 and name  HB2)  3.08  0.78  0.78
assign (resid  23 and name   HN) (resid  23 and name  HD1)  3.86  1.02  1.02
assign (resid  24 and name   HN) (resid  24 and name   HB)  2.70  0.70  0.70
assign (resid  24 and name   HN) (resid  24 and name HG2*)  2.77  1.08  1.07
assign (resid  25 and name   HN) (resid  25 and name   HA)  2.97  0.75  0.75
assign (resid  25 and name   HN) (resid  25 and name   HB)  2.33  0.59  0.59
assign (resid  25 and name   HN) (resid  25 and name HG1*)  3.60  1.02  1.02
assign (resid  25 and name   HN) (resid  25 and name HG2*)  2.83  1.01  1.01
assign (resid  26 and name   HN) (resid  26 and name   HA)  2.96  0.73  0.73
assign (resid  26 and name   HN) (resid  26 and name  HB*)  3.48  1.05  1.05
assign (resid  27 and name   HN) (resid  27 and name   HA)  2.97  0.76  0.76
assign (resid  27 and name   HN) (resid  27 and name  HB*)  3.56  1.06  1.06
assign (resid  27 and name   HN) (resid  27 and name  HG*)  3.58  1.07  1.07
assign (resid  28 and name   HN) (resid  28 and name   HA)  2.96  0.73  0.73
assign (resid  28 and name   HN) (resid  28 and name  HG*)  3.69  1.05  1.05
assign (resid  29 and name   HN) (resid  29 and name   HA)  2.97  0.78  0.79
assign (resid  29 and name   HN) (resid  29 and name   HB)  2.94  0.77  0.77
assign (resid  29 and name   HN) (resid  29 and name HG2*)  3.74  1.24  1.24
assign (resid  31 and name   HN) (resid  31 and name   HA)  2.96  0.73  0.73
assign (resid  31 and name   HN) (resid  31 and name  HB*)  3.45  1.00  1.00
assign (resid  32 and name   HN) (resid  32 and name   HA)  2.98  0.79  0.79
assign (resid  32 and name   HN) (resid  32 and name  HB1)  2.79  0.73  0.73
assign (resid  33 and name   HN) (resid  33 and name   HB)  2.50  0.49  0.48
assign (resid  33 and name   HN) (resid  33 and name HG2*)  3.73  2.03  2.03
assign (resid  34 and name   HN) (resid  34 and name   HA)  2.98  0.77  0.77
assign (resid  34 and name   HN) (resid  34 and name  HB1)  3.48  0.75  0.75
assign (resid  34 and name   HN) (resid  34 and name  HB2)  2.43  0.67  0.67
assign (resid  35 and name   HN) (resid  35 and name   HA)  2.97  0.77  0.77
assign (resid  35 and name   HN) (resid  35 and name  HB2)  2.33  0.76  0.76
assign (resid  37 and name   HN) (resid  37 and name  HA*)  3.33  1.45  1.45
assign (resid  38 and name   HN) (resid  38 and name   HA)  2.98  0.79  0.79
assign (resid  38 and name   HN) (resid  38 and name  HB1)  2.54  0.75  0.75
assign (resid  38 and name   HN) (resid  38 and name  HB2)  3.69  0.75  0.75
assign (resid  38 and name   HN) (resid  38 and name  HD2)  2.38  0.64  0.65
assign (resid  39 and name   HN) (resid  39 and name   HA)  2.98  0.79  0.79
assign (resid  39 and name   HN) (resid  39 and name HG1*)  3.10  0.94  0.94
assign (resid  40 and name   HN) (resid  40 and name  HA1)  3.01  0.71  0.71
assign (resid  40 and name   HN) (resid  40 and name  HA2)  2.49  0.59  0.58
assign (resid  41 and name   HN) (resid  41 and name   HA)  2.96  0.73  0.74
assign (resid  41 and name   HN) (resid  41 and name  HB*)  3.31  1.01  1.01
assign (resid  42 and name   HN) (resid  42 and name   HA)  2.98  0.81  0.81
assign (resid  42 and name   HN) (resid  42 and name  HB1)  3.56  0.53  0.53
assign (resid  42 and name   HN) (resid  42 and name  HB2)  2.44  0.51  0.51
assign (resid  43 and name   HN) (resid  43 and name   HA)  2.56  0.53  0.53
assign (resid  44 and name   HN) (resid  44 and name   HA)  2.98  0.79  0.79
assign (resid  45 and name   HN) (resid  45 and name   HA)  2.96  0.74  0.75
assign (resid  45 and name   HN) (resid  45 and name  HG*)  3.58  1.58  1.58
assign (resid  46 and name   HN) (resid  46 and name   HA)  2.98  0.77  0.77
assign (resid  46 and name   HN) (resid  46 and name   HB)  2.75  0.55  0.55
assign (resid  46 and name   HN) (resid  46 and name HG1*)  3.05  0.77  0.77
assign (resid  46 and name   HN) (resid  46 and name HG2*)  3.81  1.05  1.05
assign (resid  47 and name   HN) (resid  47 and name   HA)  2.97  0.77  0.77
assign (resid  47 and name   HN) (resid  47 and name  HB1)  2.87  0.54  0.53
assign (resid  47 and name   HN) (resid  47 and name  HB2)  2.58  0.54  0.55
assign (resid  48 and name   HN) (resid  48 and name  HB*)  3.54  1.07  1.07
assign (resid  48 and name   HN) (resid  48 and name HD1*)  4.58  1.42  1.42
assign (resid  48 and name   HN) (resid  48 and name   HG)  3.59  0.89  0.88
assign (resid  49 and name   HN) (resid  49 and name   HA)  2.96  0.74  0.75
assign (resid  49 and name   HN) (resid  49 and name  HB1)  3.57  0.54  0.54
assign (resid  49 and name   HN) (resid  49 and name  HB2)  2.58  0.61  0.61
assign (resid  50 and name   HN) (resid  50 and name   HA)  2.96  0.75  0.76
assign (resid  50 and name   HN) (resid  50 and name  HB1)  3.06  0.79  0.79
assign (resid  50 and name   HN) (resid  50 and name  HB2)  2.92  0.74  0.74

!sequential NOEs
assign (resid   5 and name  HD2) (resid   4 and name   HA)  4.04  0.90  0.90
assign (resid   8 and name   HA) (resid   9 and name  HD*)  2.09  0.55  0.55
assign (resid  12 and name  HD1) (resid  11 and name  HB*)  3.62  1.61  1.61
assign (resid  12 and name  HD1) (resid  11 and name  HB*)  3.73  1.66  1.66
assign (resid  15 and name  HD2) (resid  16 and name  HB2)  2.60  0.61  0.61
assign (resid  15 and name  HD2) (resid  16 and name  HB1)  4.06  0.60  0.60
assign (resid  23 and name  HD1) (resid  24 and name   HA)  3.89  0.55  0.55
assign (resid  29 and name   HA) (resid  30 and name  HD*)  2.09  0.55  0.55
assign (resid  34 and name  HB1) (resid  35 and name  HB2)  3.65  1.55  1.54
assign (resid  36 and name   HA) (resid  35 and name   HA)  4.42  0.52  0.52
assign (resid   4 and name   HN) (resid   3 and name  HA*)  3.21  0.94  0.94
assign (resid   5 and name   HN) (resid   4 and name   HA)  2.50  0.61  0.61
assign (resid   5 and name   HN) (resid   4 and name   HN)  2.99  0.57  0.58
assign (resid   6 and name   HN) (resid   5 and name   HA)  2.57  0.65  0.65
assign (resid   6 and name   HN) (resid   5 and name  HB1)  2.55  0.59  0.59
assign (resid   6 and name   HN) (resid   5 and name  HB2)  2.06  0.67  0.67
assign (resid   6 and name   HN) (resid   5 and name  HD2)  4.00  1.01  1.01
assign (resid   7 and name   HN) (resid   6 and name   HA)  2.72  0.52  0.52
assign (resid   7 and name   HN) (resid   6 and name  HB1)  3.15  0.55  0.54
assign (resid   7 and name   HN) (resid   6 and name  HB2)  3.86  0.56  0.56
assign (resid   8 and name   HN) (resid   7 and name   HA)  2.21  0.51  0.51
assign (resid   8 and name   HN) (resid   7 and name  HB*)  3.97  0.90  0.91
assign (resid   8 and name   HN) (resid   7 and name   HN)  4.02  0.88  0.88
assign (resid  11 and name   HN) (resid  12 and name   HN)  2.75  0.81  0.80
assign (resid  12 and name   HN) (resid  13 and name   HN)  2.53  0.69  0.69
assign (resid  12 and name   HN) (resid  11 and name   HA)  3.59  0.63  0.63
assign (resid  12 and name   HN) (resid  11 and name  HB*)  3.46  1.19  1.19
assign (resid  13 and name   HN) (resid  12 and name   HA)  3.54  0.90  0.90
assign (resid  14 and name   HN) (resid  13 and name  HB*)  4.20  1.93  1.93
assign (resid  14 and name   HN) (resid  13 and name   HA)  2.74  0.64  0.63
assign (resid  14 and name   HN) (resid  13 and name   HN)  3.44  0.64  0.64
assign (resid  14 and name   HN) (resid  15 and name   HN)  2.58  0.68  0.68
assign (resid  15 and name   HN) (resid  14 and name   HA)  3.25  0.83  0.83
assign (resid  15 and name   HN) (resid  14 and name  HB1)  3.35  0.54  0.54
assign (resid  16 and name   HN) (resid  15 and name   HA)  3.56  0.55  0.54
assign (resid  16 and name   HN) (resid  15 and name  HB1)  4.47  0.52  0.52
assign (resid  16 and name   HN) (resid  15 and name  HB2)  3.67  0.58  0.58
assign (resid  16 and name   HN) (resid  15 and name  HD2)  2.58  0.57  0.57
assign (resid  16 and name   HN) (resid  15 and name   HN)  2.39  0.53  0.52
assign (resid  17 and name   HN) (resid  16 and name   HA)  2.30  0.59  0.59
assign (resid  17 and name   HN) (resid  16 and name  HB1)  3.88  0.56  0.55
assign (resid  17 and name   HN) (resid  16 and name  HB2)  4.53  0.58  0.58
assign (resid  17 and name   HN) (resid  18 and name   HN)  3.24  0.54  0.54
assign (resid  18 and name   HN) (resid  17 and name   HA)  3.59  0.52  0.52
assign (resid  18 and name   HN) (resid  17 and name HG2*)  3.54  0.77  0.77
assign (resid  19 and name   HN) (resid  18 and name   HA)  2.72  0.62  0.62
assign (resid  20 and name   HN) (resid  19 and name  HA1)  3.09  0.50  0.59
assign (resid  20 and name   HN) (resid  19 and name  HA2)  2.36  0.52  0.52
assign (resid  21 and name   HN) (resid  20 and name   HA)  2.50  0.58  0.58
assign (resid  21 and name   HN) (resid  20 and name  HB*)  3.71  1.15  1.15
assign (resid  21 and name   HN) (resid  20 and name  HG*)  4.00  1.10  1.10
assign (resid  22 and name   HN) (resid  21 and name   HA)  2.35  0.50  0.50
assign (resid  22 and name   HN) (resid  21 and name  HB1)  3.76  0.59  0.59
assign (resid  23 and name   HN) (resid  22 and name   HA)  2.22  0.52  0.52
assign (resid  24 and name   HN) (resid  23 and name   HA)  2.24  0.54  0.53
assign (resid  24 and name   HN) (resid  23 and name  HD1)  3.44  0.57  0.57
assign (resid  25 and name   HN) (resid  24 and name   HA)  2.28  0.51  0.51
assign (resid  26 and name   HN) (resid  27 and name   HN)  2.86  0.87  0.87
assign (resid  26 and name   HN) (resid  25 and name   HA)  3.68  0.54  0.54
assign (resid  26 and name   HN) (resid  25 and name HG1*)  4.33  0.83  0.83
assign (resid  26 and name   HN) (resid  25 and name   HN)  2.69  0.51  0.51
assign (resid  27 and name   HN) (resid  26 and name  HB*)  2.97  0.73  0.73
assign (resid  27 and name   HN) (resid  26 and name   HA)  3.59  0.57  0.57
assign (resid  28 and name   HN) (resid  27 and name   HA)  2.45  0.55  0.55
assign (resid  28 and name   HN) (resid  27 and name   HN)  3.60  0.54  0.54
assign (resid  28 and name   HN) (resid  29 and name   HN)  4.25  0.54  0.54
assign (resid  29 and name   HN) (resid  28 and name   HA)  2.34  0.54  0.54
assign (resid  31 and name   HN) (resid  30 and name   HA)  2.38  0.54  0.55
assign (resid  32 and name   HN) (resid  31 and name   HA)  2.31  0.49  0.50
assign (resid  32 and name   HN) (resid  31 and name  HB*)  3.35  0.89  0.88
assign (resid  33 and name   HN) (resid  32 and name   HA)  2.13  0.53  0.53
assign (resid  33 and name   HN) (resid  32 and name  HB2)  3.50  0.80  0.79
assign (resid  33 and name   HN) (resid  32 and name   HN)  4.36  1.09  1.09
assign (resid  34 and name   HN) (resid  35 and name   HN)  4.63  0.53  0.54
assign (resid  34 and name   HN) (resid  33 and name   HA)  2.47  0.47  0.47
assign (resid  34 and name   HN) (resid  33 and name HG1*)  3.25  1.03  1.04
assign (resid  35 and name   HN) (resid  34 and name   HA)  2.32  0.51  0.52
assign (resid  35 and name   HN) (resid  34 and name  HB1)  2.96  0.57  0.57
assign (resid  35 and name   HN) (resid  34 and name  HB2)  4.08  0.58  0.58
assign (resid  35 and name   HN) (resid  36 and name   HN)  4.69  0.54  0.54
assign (resid  36 and name   HN) (resid  35 and name   HA)  2.22  0.52  0.52
assign (resid  36 and name   HN) (resid  35 and name  HB1)  3.60  0.85  0.85
assign (resid  37 and name   HN) (resid  38 and name  HD2)  3.28  1.35  1.35
assign (resid  37 and name   HN) (resid  38 and name   HN)  2.96  0.50  0.51
assign (resid  38 and name   HN) (resid  37 and name  HA*)  3.44  1.06  1.06
assign (resid  39 and name   HN) (resid  38 and name   HA)  2.54  0.56  0.55
assign (resid  39 and name   HN) (resid  38 and name  HB1)  3.93  0.53  0.52
assign (resid  39 and name   HN) (resid  38 and name  HB2)  2.68  0.59  0.59
assign (resid  39 and name   HN) (resid  38 and name  HD1)  3.80  0.52  0.52
assign (resid  40 and name   HN) (resid  39 and name   HA)  2.33  0.53  0.53
assign (resid  40 and name   HN) (resid  39 and name   HB)  4.08  0.58  0.58
assign (resid  40 and name   HN) (resid  39 and name HG1*)  4.09  1.03  1.04
assign (resid  40 and name   HN) (resid  39 and name HG2*)  3.21  1.05  1.06
assign (resid  41 and name   HN) (resid  40 and name  HA1)  3.05  0.56  0.56
assign (resid  41 and name   HN) (resid  40 and name  HA2)  2.50  0.53  0.53
assign (resid  41 and name   HN) (resid  40 and name   HN)  4.07  0.52  0.51
assign (resid  41 and name   HN) (resid  42 and name   HN)  2.56  0.51  0.51
assign (resid  42 and name   HN) (resid  41 and name   HA)  3.50  0.50  0.50
assign (resid  42 and name   HN) (resid  41 and name  HB*)  3.42  1.13  1.13
assign (resid  42 and name   HN) (resid  43 and name   HA)  4.19  1.09  1.08
assign (resid  42 and name   HN) (resid  43 and name   HN)  2.65  0.50  0.59
assign (resid  43 and name   HN) (resid  42 and name   HA)  3.20  0.52  0.52
assign (resid  44 and name   HN) (resid  43 and name   HA)  2.80  0.53  0.52
assign (resid  44 and name   HN) (resid  43 and name   HN)  2.88  0.55  0.54
assign (resid  44 and name   HN) (resid  45 and name   HN)  2.35  0.56  0.56
assign (resid  45 and name   HN) (resid  44 and name   HA)  3.51  0.54  0.54
assign (resid  45 and name   HN) (resid  44 and name  HG*)  3.39  1.48  1.48
assign (resid  46 and name   HN) (resid  45 and name  HB*)  4.08  1.86  1.87
assign (resid  46 and name   HN) (resid  45 and name   HA)  2.37  0.57  0.58
assign (resid  46 and name   HN) (resid  45 and name  HG*)  3.67  1.13  1.13
assign (resid  46 and name   HN) (resid  47 and name   HN)  4.34  0.68  0.68
assign (resid  47 and name   HN) (resid  48 and name   HN)  3.23  0.56  0.56
assign (resid  47 and name   HN) (resid  46 and name   HA)  2.34  0.52  0.52
assign (resid  47 and name   HN) (resid  46 and name   HB)  3.25  0.83  0.83
assign (resid  47 and name   HN) (resid  46 and name HG2*)  3.59  1.15  1.15
assign (resid  48 and name   HN) (resid  47 and name   HA)  3.02  0.62  0.62
assign (resid  48 and name   HN) (resid  47 and name  HB2)  4.01  1.09  1.09
assign (resid  49 and name   HN) (resid  48 and name   HA)  2.85  0.71  0.71
assign (resid  49 and name   HN) (resid  48 and name HD2*)  4.38  1.42  1.42
assign (resid  49 and name   HN) (resid  50 and name   HN)  3.17  0.81  0.81
assign (resid  50 and name   HN) (resid  49 and name   HA)  3.58  1.70  1.70
assign (resid  50 and name   HN) (resid  49 and name  HB2)  3.19  0.82  0.82
assign (resid  50 and name   HN) (resid  49 and name  HB1)  3.60  1.52  1.52

!medium-range NOEs
assign (resid   8 and name  HB1) (resid  12 and name  HB2)  3.52  1.48  1.48
assign (resid   9 and name  HD*) (resid  12 and name  HB2)  2.81  1.11  1.11
assign (resid  11 and name   HN) (resid  13 and name   HN)  4.00  1.14  1.13
assign (resid  12 and name  HD1) (resid   9 and name  HB2)  3.35  1.40  1.40
assign (resid  13 and name   HN) (resid  10 and name   HA)  3.52  0.72  0.72
assign (resid  14 and name   HN) (resid  12 and name  HD2)  4.36  0.79  0.70
assign (resid  15 and name   HN) (resid  13 and name   HA)  3.11  0.57  0.57
assign (resid  16 and name   HN) (resid  14 and name   HA)  4.01  0.67  0.67
assign (resid  23 and name  HE1) (resid  25 and name   HA)  3.19  0.62  0.62
assign (resid  23 and name  HD1) (resid  25 and name   HB)  4.44  1.44  1.44
assign (resid  23 and name  HD1) (resid  25 and name   HA)  3.12  0.50  0.50
assign (resid  23 and name  HD1) (resid  25 and name HG2*)  4.39  1.34  1.35
assign (resid  27 and name   HN) (resid  24 and name HG1*)  2.79  0.77  0.78
assign (resid  28 and name   HN) (resid  25 and name   HA)  4.42  0.76  0.77
assign (resid  31 and name   HN) (resid  29 and name HG2*)  4.23  1.59  1.59
assign (resid  31 and name  HB*) (resid  29 and name HG2*)  4.07  1.88  1.88
assign (resid  38 and name  HD2) (resid  36 and name   HA)  3.89  1.05  1.05
assign (resid  38 and name   HN) (resid  36 and name   HA)  3.56  0.54  0.55
assign (resid  38 and name  HD1) (resid  35 and name  HB2)  4.15  1.01  1.01
assign (resid  42 and name   HN) (resid  40 and name  HA2)  4.23  1.03  1.03
assign (resid  42 and name   HN) (resid  40 and name  HA1)  3.53  0.53  0.53
assign (resid  48 and name   HN) (resid  46 and name HG2*)  3.56  1.43  1.44

!long-range NOEs
assign (resid   5 and name  HE1) (resid  24 and name HG1*)  3.35  1.65  1.65
assign (resid   5 and name  HE1) (resid  24 and name HG2*)  3.79  2.09  2.09
assign (resid   5 and name  HE1) (resid  24 and name   HA)  3.44  1.44  1.44
assign (resid   5 and name   HA) (resid  24 and name   HA)  3.71  0.62  0.62
assign (resid   5 and name  HD1) (resid  24 and name   HA)  2.85  0.52  0.52
assign (resid   5 and name  HD1) (resid  24 and name HG2*)  2.91  1.00  1.00
assign (resid   5 and name  HD1) (resid  24 and name HG1*)  3.73  1.71  1.71
assign (resid   7 and name   HA) (resid  22 and name  HG*)  3.64  1.62  1.62
assign (resid  15 and name  HE2) (resid  21 and name  HB1)  2.40  0.56  0.56
assign (resid  15 and name  HE1) (resid  23 and name  HD2)  4.24  0.69  0.69
assign (resid  15 and name  HD2) (resid  32 and name  HB2)  2.77  0.87  0.87
assign (resid  19 and name  HA2) (resid  35 and name  HB2)  3.88  0.68  0.69
assign (resid  20 and name   HA) (resid   8 and name  HB1)  3.69  1.56  1.56
assign (resid  20 and name   HA) (resid   8 and name  HB2)  4.39  1.06  1.06
assign (resid  21 and name  HB2) (resid  32 and name  HB2)  3.47  1.46  1.46
assign (resid  23 and name   HA) (resid  30 and name   HA)  2.38  0.54  0.55
assign (resid  23 and name  HD2) (resid  30 and name  HB1)  2.88  0.54  0.55
assign (resid  23 and name  HD2) (resid  30 and name   HA)  3.58  0.74  0.75
assign (resid  23 and name  HE1) (resid  28 and name   HA)  2.98  1.04  1.03
assign (resid  24 and name   HA) (resid   5 and name  HB2)  3.57  1.51  1.50
assign (resid  32 and name   HA) (resid  21 and name   HA)  2.14  0.51  0.51
assign (resid  34 and name   HA) (resid  19 and name  HA1)  2.08  0.58  0.59
assign (resid  34 and name   HA) (resid  19 and name  HA2)  2.06  0.57  0.57
assign (resid  38 and name   HA) (resid  18 and name  HG*)  3.92  1.15  1.15
assign (resid  38 and name   HA) (resid  46 and name   HA)  2.25  0.51  0.51
assign (resid  38 and name  HD1) (resid  43 and name   HA)  2.08  0.53  0.53
assign (resid  38 and name  HD1) (resid  43 and name  HB1)  2.09  0.59  0.50
assign (resid  38 and name  HD1) (resid  18 and name  HB*)  3.98  1.16  1.16
assign (resid  38 and name  HD1) (resid  18 and name  HD*)  3.61  1.04  1.04
assign (resid  38 and name  HD1) (resid  18 and name  HG*)  3.71  1.07  1.08
assign (resid  38 and name  HE1) (resid  34 and name  HB1)  2.67  0.80  0.80
assign (resid  38 and name  HE1) (resid  43 and name   HA)  2.58  0.50  0.50
assign (resid  38 and name  HE1) (resid  19 and name  HA1)  4.60  1.03  1.03
assign (resid  38 and name  HE2) (resid  34 and name  HB1)  3.73  0.76  0.76
assign (resid  38 and name  HD1) (resid  34 and name  HB1)  3.33  0.76  0.76
assign (resid  42 and name   HA) (resid  16 and name   HA)  3.86  0.75  0.75
assign (resid  43 and name  HB2) (resid  17 and name   HB)  3.26  1.36  1.37
assign (resid  44 and name   HA) (resid  17 and name   HB)  2.92  0.57  0.56
assign (resid  44 and name   HA) (resid  17 and name HG2*)  3.56  1.64  1.64
assign (resid  44 and name   HA) (resid  17 and name HD1*)  4.16  1.93  1.92
assign (resid   6 and name   HN) (resid  23 and name   HN)  4.30  1.01  1.01
assign (resid   6 and name   HN) (resid  22 and name   HA)  4.20  1.01  1.01
assign (resid  17 and name   HN) (resid  43 and name  HB2)  2.41  0.72  0.72
assign (resid  18 and name   HN) (resid  43 and name  HB1)  3.14  0.85  0.85
assign (resid  18 and name   HN) (resid  43 and name  HB2)  2.14  0.85  0.85
assign (resid  20 and name   HN) (resid  34 and name   HA)  3.06  0.57  0.57
assign (resid  20 and name   HN) (resid  33 and name   HB)  3.59  0.70  0.70
assign (resid  21 and name   HN) (resid  13 and name  HG*)  3.73  1.65  1.65
assign (resid  22 and name   HN) (resid  32 and name   HA)  3.05  0.52  0.53
assign (resid  22 and name   HN) (resid  31 and name   HN)  3.57  0.53  0.53
assign (resid  24 and name   HN) (resid  29 and name HG2*)  3.21  1.45  1.45
assign (resid  24 and name   HN) (resid  30 and name   HA)  3.68  0.54  0.55
assign (resid  24 and name   HN) (resid  29 and name   HN)  2.67  0.59  0.58
assign (resid  25 and name   HN) (resid   5 and name   HA)  4.55  0.74  0.74
assign (resid  28 and name   HN) (resid  24 and name HG1*)  4.67  1.49  1.50
assign (resid  29 and name   HN) (resid  24 and name   HB)  2.47  0.68  0.69
assign (resid  29 and name   HN) (resid  24 and name HG1*)  4.71  1.29  1.29
assign (resid  29 and name   HN) (resid  24 and name HG2*)  4.63  1.26  1.27
assign (resid  31 and name   HN) (resid  23 and name   HA)  3.19  0.56  0.56
assign (resid  31 and name   HN) (resid  22 and name  HB*)  4.05  1.84  1.84
assign (resid  33 and name   HN) (resid  21 and name   HA)  2.44  0.52  0.52
assign (resid  33 and name   HN) (resid  20 and name   HN)  3.63  1.89  1.89
assign (resid  35 and name   HN) (resid  19 and name  HA1)  3.48  0.74  0.74
assign (resid  35 and name   HN) (resid  19 and name  HA2)  2.48  0.74  0.74
assign (resid  35 and name   HN) (resid  20 and name   HN)  3.94  0.78  0.78
assign (resid  39 and name   HN) (resid  43 and name   HA)  3.81  1.07  1.07
assign (resid  39 and name   HN) (resid  47 and name  HB2)  4.29  0.88  0.88
assign (resid  39 and name   HN) (resid  45 and name   HN)  3.09  0.80  0.80
assign (resid  39 and name   HN) (resid  46 and name   HA)  3.12  0.65  0.64
assign (resid  44 and name   HN) (resid  18 and name  HD*)  4.42  2.08  2.08
assign (resid  44 and name   HN) (resid  17 and name   HB)  4.49  0.88  0.88
assign (resid  45 and name   HN) (resid  18 and name  HD*)  3.42  1.00  1.00
assign (resid  45 and name   HN) (resid  39 and name   HB)  3.94  0.72  0.72
assign (resid  47 and name   HN) (resid  39 and name HD1*)  3.95  1.31  1.30
assign (resid  47 and name   HN) (resid  38 and name   HA)  2.28  0.54  0.55

set message=on echo=on end

set message=off echo=off end
restraints dihedral reset
!! restraints 1 C (kcal/molrad), 2 angle, 3 angle range, 4 exponent

!we define the dihedral restraints as follows
!for CSI alpha
!    phi   1.0  -60.0   30.0 2
!for 3J > 12.0 Hz
!    psi   1.0  -120.0   30.0 2
!for CSI beta  or 3J > 10.0 Hz
!    psi   1.0  -120.0   40.0 2

assign (resid 4 and name    C) (resid 5 and name    N)
       (resid 5 and name   CA) (resid 5 and name    C)  1.0  -120.0   30.0 2
assign (resid 5 and name    C) (resid 6 and name    N)
       (resid 6 and name   CA) (resid 6 and name    C)  1.0  -120.0   30.0 2
assign (resid 6 and name    C) (resid 7 and name    N)
       (resid 7 and name   CA) (resid 7 and name    C)  1.0  -120.0   40.0 2
assign (resid 7 and name    C) (resid 8 and name    N)
       (resid 8 and name   CA) (resid 8 and name    C)  1.0  -60.0   30.0 2
assign (resid 9 and name    C) (resid 10 and name    N)
       (resid 10 and name   CA) (resid 10 and name    C)  1.0  -60.0   30.0 2
assign (resid 10 and name    C) (resid 11 and name    N)
       (resid 11 and name   CA) (resid 11 and name    C)  1.0  -60.0   30.0 2
assign (resid 11 and name    C) (resid 12 and name    N)
       (resid 12 and name   CA) (resid 12 and name    C)  1.0  -120.0   30.0 2
assign (resid 12 and name    C) (resid 13 and name    N)
       (resid 13 and name   CA) (resid 13 and name    C)  1.0  -60.0   30.0 2
assign (resid 13 and name    C) (resid 14 and name    N)
       (resid 14 and name   CA) (resid 14 and name    C)  1.0  -120.0   30.0 2
assign (resid 14 and name    C) (resid 15 and name    N)
       (resid 15 and name   CA) (resid 15 and name    C)  1.0  -60.0   30.0 2
assign (resid 15 and name    C) (resid 16 and name    N)
       (resid 16 and name   CA) (resid 16 and name    C)  1.0  -120.0   40.0 2
assign (resid 17 and name    C) (resid 18 and name    N)
       (resid 18 and name   CA) (resid 18 and name    C)  1.0  -120.0   30.0 2
assign (resid 18 and name    C) (resid 19 and name    N)
       (resid 19 and name   CA) (resid 19 and name    C)  1.0  -120.0   40.0 2
assign (resid 19 and name    C) (resid 20 and name    N)
       (resid 20 and name   CA) (resid 20 and name    C)  1.0  -120.0   30.0 2
assign (resid 20 and name    C) (resid 21 and name    N)
       (resid 21 and name   CA) (resid 21 and name    C)  1.0  -120.0   40.0 2
assign (resid 21 and name    C) (resid 22 and name    N)
       (resid 22 and name   CA) (resid 22 and name    C)  1.0  -120.0   30.0 2
assign (resid 22 and name    C) (resid 23 and name    N)
       (resid 23 and name   CA) (resid 23 and name    C)  1.0  -120.0   30.0 2
assign (resid 23 and name    C) (resid 24 and name    N)
       (resid 24 and name   CA) (resid 24 and name    C)  1.0  -120.0   40.0 2
assign (resid 24 and name    C) (resid 25 and name    N)
       (resid 25 and name   CA) (resid 25 and name    C)  1.0  -60.0   30.0 2
assign (resid 25 and name    C) (resid 26 and name    N)
       (resid 26 and name   CA) (resid 26 and name    C)  1.0  -60.0   30.0 2
assign (resid 26 and name    C) (resid 27 and name    N)
       (resid 27 and name   CA) (resid 27 and name    C)  1.0  -120.0   30.0 2
assign (resid 27 and name    C) (resid 28 and name    N)
       (resid 28 and name   CA) (resid 28 and name    C)  1.0  -60.0   30.0 2
assign (resid 28 and name    C) (resid 29 and name    N)
       (resid 29 and name   CA) (resid 29 and name    C)  1.0  -120.0   30.0 2
assign (resid 30 and name    C) (resid 31 and name    N)
       (resid 31 and name   CA) (resid 31 and name    C)  1.0  -120.0   30.0 2
assign (resid 31 and name    C) (resid 32 and name    N)
       (resid 32 and name   CA) (resid 32 and name    C)  1.0  -120.0   30.0 2
assign (resid 32 and name    C) (resid 33 and name    N)
       (resid 33 and name   CA) (resid 33 and name    C)  1.0  -120.0   30.0 2
assign (resid 33 and name    C) (resid 34 and name    N)
       (resid 34 and name   CA) (resid 34 and name    C)  1.0  -120.0   40.0 2
assign (resid 34 and name    C) (resid 35 and name    N)
       (resid 35 and name   CA) (resid 35 and name    C)  1.0  -60.0   30.0 2
assign (resid 35 and name    C) (resid 36 and name    N)
       (resid 36 and name   CA) (resid 36 and name    C)  1.0  -60.0   30.0 2
assign (resid 36 and name    C) (resid 37 and name    N)
       (resid 37 and name   CA) (resid 37 and name    C)  1.0  -60.0   30.0 2
assign (resid 37 and name    C) (resid 38 and name    N)
       (resid 38 and name   CA) (resid 38 and name    C)  1.0  -120.0   30.0 2
assign (resid 38 and name    C) (resid 39 and name    N)
       (resid 39 and name   CA) (resid 39 and name    C)  1.0  -120.0   30.0 2
assign (resid 40 and name    C) (resid 41 and name    N)
       (resid 41 and name   CA) (resid 41 and name    C)  1.0  -60.0   30.0 2
assign (resid 41 and name    C) (resid 42 and name    N)
       (resid 42 and name   CA) (resid 42 and name    C)  1.0  -120.0   30.0 2
assign (resid 43 and name    C) (resid 44 and name    N)
       (resid 44 and name   CA) (resid 44 and name    C)  1.0  -120.0   30.0 2
assign (resid 44 and name    C) (resid 45 and name    N)
       (resid 45 and name   CA) (resid 45 and name    C)  1.0  -120.0   40.0 2
assign (resid 45 and name    C) (resid 46 and name    N)
       (resid 46 and name   CA) (resid 46 and name    C)  1.0  -120.0   30.0 2
assign (resid 46 and name    C) (resid 47 and name    N)
       (resid 47 and name   CA) (resid 47 and name    C)  1.0  -120.0   30.0 2
assign (resid 47 and name    C) (resid 48 and name    N)
       (resid 48 and name   CA) (resid 48 and name    C)  1.0  -120.0   40.0 2
assign (resid 48 and name    C) (resid 49 and name    N)
       (resid 49 and name   CA) (resid 49 and name    C)  1.0  -60.0   30.0 2
assign (resid 49 and name    C) (resid 50 and name    N)
       (resid 50 and name   CA) (resid 50 and name    C)  1.0  -60.0   30.0 2

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    ARG   1          H1        ARG   1  -1.085  19.518 -13.240
    2   2H    ARG   1          H2        ARG   1  -0.697  20.661 -14.436
    3   3H    ARG   1          H3        ARG   1  -1.632  21.118 -13.094
    4    HA   ARG   1           HA       ARG   1   1.210  20.234 -12.976
    5   1HB   ARG   1          2HB       ARG   1  -0.126  22.704 -13.664
    6   2HB   ARG   1          1HB       ARG   1   0.800  22.921 -12.179
    7   1HG   ARG   1          2HG       ARG   1   2.830  22.410 -13.208
    8   2HG   ARG   1          1HG       ARG   1   2.058  21.493 -14.502
    9   1HD   ARG   1          2HD       ARG   1   1.874  23.340 -15.806
   10   2HD   ARG   1          1HD       ARG   1   1.190  24.290 -14.473
   11    HE   ARG   1           HE       ARG   1   3.933  23.868 -13.892
   12   1HH1  ARG   1          1HH2      ARG   1   1.885  26.260 -14.835
   13   2HH1  ARG   1          2HH2      ARG   1   3.031  27.163 -15.769
   14   1HH2  ARG   1          1HH1      ARG   1   5.451  24.681 -15.687
   15   2HH2  ARG   1          2HH1      ARG   1   5.051  26.269 -16.250
   16    H    LYS   2           H        LYS   2  -1.015  19.177 -11.387
   17    HA   LYS   2           HA       LYS   2  -0.353  20.392  -8.721
   18   1HB   LYS   2          2HB       LYS   2  -2.633  19.951  -8.089
   19   2HB   LYS   2          1HB       LYS   2  -2.695  20.712  -9.680
   20   1HG   LYS   2          2HG       LYS   2  -2.992  18.575 -10.768
   21   2HG   LYS   2          1HG       LYS   2  -2.709  17.712  -9.256
   22   1HD   LYS   2          2HD       LYS   2  -4.820  18.096  -8.492
   23   2HD   LYS   2          1HD       LYS   2  -4.864  19.732  -9.149
   24   1HE   LYS   2          2HE       LYS   2  -4.849  17.524 -11.150
   25   2HE   LYS   2          1HE       LYS   2  -6.338  17.729 -10.204
   26   1HZ   LYS   2          1HZ       LYS   2  -6.488  19.208 -12.036
   27   2HZ   LYS   2          2HZ       LYS   2  -4.910  19.788 -11.795
   28   3HZ   LYS   2          3HZ       LYS   2  -6.135  20.162 -10.679
   29    H    GLY   3           H        GLY   3  -0.029  18.886  -6.998
   30   1HA   GLY   3          2HA       GLY   3  -0.446  16.057  -7.248
   31   2HA   GLY   3          1HA       GLY   3   1.239  16.443  -7.602
   32    H    HIS   4           H        HIS   4  -0.954  15.784  -5.121
   33    HA   HIS   4           HA       HIS   4   1.082  16.054  -3.070
   34   1HB   HIS   4          2HB       HIS   4  -0.320  18.371  -3.800
   35   2HB   HIS   4          1HB       HIS   4  -1.099  17.833  -2.312
   36    HD1  HIS   4           HD1      HIS   4   0.590  20.380  -2.212
   37    HD2  HIS   4           HD2      HIS   4   2.149  16.590  -1.447
   38    HE1  HIS   4           HE1      HIS   4   2.676  20.732  -0.820
   39    H    PHE   5           H        PHE   5   0.390  13.887  -2.594
   40    HA   PHE   5           HA       PHE   5  -2.360  13.681  -1.407
   41   1HB   PHE   5          2HB       PHE   5  -0.629  11.572  -2.743
   42   2HB   PHE   5          1HB       PHE   5  -2.272  11.330  -2.148
   43    HD1  PHE   5           HD1      PHE   5  -4.190  12.199  -3.337
   44    HD2  PHE   5           HD2      PHE   5  -0.201  13.018  -4.699
   45    HE1  PHE   5           HE1      PHE   5  -5.097  13.039  -5.487
   46    HE2  PHE   5           HE2      PHE   5  -1.107  13.859  -6.850
   47    HZ   PHE   5           HZ       PHE   5  -3.556  13.869  -7.244
   48    H    SER   6           H        SER   6  -1.719  11.022  -0.330
   49    HA   SER   6           HA       SER   6   0.334  11.726   1.738
   50   1HB   SER   6          2HB       SER   6  -2.317  10.361   2.259
   51   2HB   SER   6          1HB       SER   6  -1.199  11.020   3.449
   52    HG   SER   6           HG       SER   6  -2.987  12.312   1.730
   53    H    ARG   7           H        ARG   7   1.845  10.125   1.873
   54    HA   ARG   7           HA       ARG   7   1.307   7.490   0.630
   55   1HB   ARG   7          2HB       ARG   7   3.539   9.254   1.131
   56   2HB   ARG   7          1HB       ARG   7   3.896   7.652   1.776
   57   1HG   ARG   7          2HG       ARG   7   2.866   6.881  -0.559
   58   2HG   ARG   7          1HG       ARG   7   3.395   8.491  -1.048
   59   1HD   ARG   7          2HD       ARG   7   5.486   7.269   0.512
   60   2HD   ARG   7          1HD       ARG   7   5.008   6.166  -0.795
   61    HE   ARG   7           HE       ARG   7   5.100   8.483  -2.163
   62   1HH1  ARG   7          1HH1      ARG   7   6.889   8.672   0.599
   63   2HH1  ARG   7          2HH1      ARG   7   8.436   8.817  -0.167
   64   1HH2  ARG   7          1HH2      ARG   7   7.240   8.038  -3.327
   65   2HH2  ARG   7          2HH2      ARG   7   8.635   8.457  -2.390
   66    H    CYS   8           H        CYS   8   0.558   5.846   1.902
   67    HA   CYS   8           HA       CYS   8   0.201   5.948   4.708
   68   1HB   CYS   8          2HB       CYS   8   0.401   3.764   2.637
   69   2HB   CYS   8          1HB       CYS   8   0.104   3.372   4.331
   70    HA   PRO   9           HA       PRO   9   4.522   5.367   5.778
   71   1HB   PRO   9          2HB       PRO   9   4.183   5.803   8.456
   72   2HB   PRO   9          1HB       PRO   9   4.277   7.119   7.270
   73   1HG   PRO   9          2HG       PRO   9   1.895   5.931   8.593
   74   2HG   PRO   9          1HG       PRO   9   2.227   7.616   8.164
   75   1HD   PRO   9          2HD       PRO   9   0.587   5.966   6.720
   76   2HD   PRO   9          1HD       PRO   9   1.449   7.360   6.033
   77    H    LYS  10           H        LYS  10   5.631   3.853   7.378
   78    HA   LYS  10           HA       LYS  10   4.481   1.216   7.264
   79   1HB   LYS  10          2HB       LYS  10   6.946   2.482   7.809
   80   2HB   LYS  10          1HB       LYS  10   6.560   1.544   9.253
   81   1HG   LYS  10          2HG       LYS  10   7.268  -0.295   8.164
   82   2HG   LYS  10          1HG       LYS  10   5.888  -0.116   7.080
   83   1HD   LYS  10          2HD       LYS  10   7.220   0.514   5.377
   84   2HD   LYS  10          1HD       LYS  10   7.992   1.749   6.373
   85   1HE   LYS  10          2HE       LYS  10   9.844   0.465   6.590
   86   2HE   LYS  10          1HE       LYS  10   8.870  -0.885   7.208
   87   1HZ   LYS  10          1HZ       LYS  10   8.460  -1.682   5.099
   88   2HZ   LYS  10          2HZ       LYS  10  10.061  -1.135   4.936
   89   3HZ   LYS  10          3HZ       LYS  10   8.774  -0.194   4.347
   90    H    GLN  11           H        GLN  11   4.452   3.758   9.697
   91    HA   GLN  11           HA       GLN  11   3.714   2.161  11.966
   92   1HB   GLN  11          2HB       GLN  11   4.580   4.539  11.889
   93   2HB   GLN  11          1HB       GLN  11   2.979   5.035  11.337
   94   1HG   GLN  11          2HG       GLN  11   2.170   4.973  13.436
   95   2HG   GLN  11          1HG       GLN  11   2.752   3.322  13.658
   96   1HE2  GLN  11          1HE2      GLN  11   5.259   3.205  14.065
   97   2HE2  GLN  11          2HE2      GLN  11   5.910   4.406  15.073
   98    H    TYR  12           H        TYR  12   1.973   3.026   9.135
   99    HA   TYR  12           HA       TYR  12  -0.616   2.315  10.480
  100   1HB   TYR  12          2HB       TYR  12   0.224   4.391   8.513
  101   2HB   TYR  12          1HB       TYR  12  -1.371   3.675   8.277
  102    HD1  TYR  12           HD1      TYR  12   0.485   6.140  10.048
  103    HD2  TYR  12           HD2      TYR  12  -2.886   3.501  10.410
  104    HE1  TYR  12           HE1      TYR  12  -0.421   7.547  11.879
  105    HE2  TYR  12           HE2      TYR  12  -3.792   4.908  12.240
  106    HH   TYR  12           HH       TYR  12  -3.616   7.181  13.068
  107    H    LYS  13           H        LYS  13   1.608   0.777   8.859
  108    HA   LYS  13           HA       LYS  13   0.040  -0.205   6.552
  109   1HB   LYS  13          2HB       LYS  13   2.813  -0.389   7.637
  110   2HB   LYS  13          1HB       LYS  13   2.266  -1.717   6.612
  111   1HG   LYS  13          2HG       LYS  13   1.571  -0.025   4.893
  112   2HG   LYS  13          1HG       LYS  13   2.304   1.228   5.895
  113   1HD   LYS  13          2HD       LYS  13   4.333  -0.599   5.775
  114   2HD   LYS  13          1HD       LYS  13   3.592  -0.808   4.188
  115   1HE   LYS  13          2HE       LYS  13   3.955   2.010   5.060
  116   2HE   LYS  13          1HE       LYS  13   5.442   1.113   4.692
  117   1HZ   LYS  13          1HZ       LYS  13   3.038   1.295   2.952
  118   2HZ   LYS  13          2HZ       LYS  13   4.425   0.374   2.614
  119   3HZ   LYS  13          3HZ       LYS  13   4.521   2.069   2.676
  120    H    HIS  14           H        HIS  14  -1.310  -0.785   8.947
  121    HA   HIS  14           HA       HIS  14  -0.600  -3.519   9.799
  122   1HB   HIS  14          2HB       HIS  14  -2.447  -1.320  10.562
  123   2HB   HIS  14          1HB       HIS  14  -3.022  -2.952  10.904
  124    HD1  HIS  14           HD1      HIS  14   0.628  -2.027  11.013
  125    HD2  HIS  14           HD2      HIS  14  -2.470  -2.849  13.678
  126    HE1  HIS  14           HE1      HIS  14   1.691  -2.248  13.302
  127    H    TYR  15           H        TYR  15  -2.573  -1.965   7.445
  128    HA   TYR  15           HA       TYR  15  -4.326  -4.322   7.059
  129   1HB   TYR  15          2HB       TYR  15  -5.225  -2.796   5.218
  130   2HB   TYR  15          1HB       TYR  15  -5.357  -2.155   6.854
  131    HD1  TYR  15           HD1      TYR  15  -4.686   0.045   7.185
  132    HD2  TYR  15           HD2      TYR  15  -2.843  -2.256   4.062
  133    HE1  TYR  15           HE1      TYR  15  -3.341   2.021   6.523
  134    HE2  TYR  15           HE2      TYR  15  -1.496  -0.283   3.403
  135    HH   TYR  15           HH       TYR  15  -1.388   2.600   5.345
  136    H    CYS  16           H        CYS  16  -1.202  -3.525   6.264
  137    HA   CYS  16           HA       CYS  16  -1.127  -5.485   4.066
  138   1HB   CYS  16          2HB       CYS  16  -0.912  -2.516   3.727
  139   2HB   CYS  16          1HB       CYS  16   0.113  -3.540   2.724
  140    H    ILE  17           H        ILE  17   0.371  -6.571   5.508
  141    HA   ILE  17           HA       ILE  17   2.634  -5.335   6.740
  142    HB   ILE  17           HB       ILE  17   2.059  -8.156   5.792
  143   1HG1  ILE  17          2HG1      ILE  17   1.895  -6.800   8.502
  144   2HG1  ILE  17          1HG1      ILE  17   0.524  -7.282   7.501
  145   1HG2  ILE  17          1HG2      ILE  17   4.120  -8.787   6.447
  146   2HG2  ILE  17          2HG2      ILE  17   3.934  -7.945   7.986
  147   3HG2  ILE  17          3HG2      ILE  17   4.542  -7.079   6.575
  148   1HD1  ILE  17          1HD1      ILE  17   1.708  -9.651   7.593
  149   2HD1  ILE  17          2HD1      ILE  17   0.671  -9.115   8.916
  150   3HD1  ILE  17          3HD1      ILE  17   2.424  -8.992   9.063
  151    H    LYS  18           H        LYS  18   2.475  -7.248   3.693
  152    HA   LYS  18           HA       LYS  18   5.063  -5.950   2.899
  153   1HB   LYS  18          2HB       LYS  18   4.812  -8.006   1.167
  154   2HB   LYS  18          1HB       LYS  18   5.540  -8.197   2.759
  155   1HG   LYS  18          2HG       LYS  18   3.347  -8.907   3.661
  156   2HG   LYS  18          1HG       LYS  18   2.643  -8.751   2.051
  157   1HD   LYS  18          2HD       LYS  18   3.299 -11.100   2.596
  158   2HD   LYS  18          1HD       LYS  18   4.143 -10.464   1.185
  159   1HE   LYS  18          2HE       LYS  18   5.449 -10.068   3.848
  160   2HE   LYS  18          1HE       LYS  18   5.486 -11.696   3.144
  161   1HZ   LYS  18          1HZ       LYS  18   7.082  -9.569   2.425
  162   2HZ   LYS  18          2HZ       LYS  18   5.951  -9.701   1.165
  163   3HZ   LYS  18          3HZ       LYS  18   6.913 -11.035   1.590
  164    H    GLY  19           H        GLY  19   3.081  -4.233   2.484
  165   1HA   GLY  19          2HA       GLY  19   2.893  -4.093  -0.431
  166   2HA   GLY  19          1HA       GLY  19   1.334  -4.308   0.367
  167    H    ARG  20           H        ARG  20   2.019  -1.966  -1.112
  168    HA   ARG  20           HA       ARG  20   2.505   0.104   0.985
  169   1HB   ARG  20          2HB       ARG  20   2.350   0.268  -2.044
  170   2HB   ARG  20          1HB       ARG  20   2.899   1.550  -0.965
  171   1HG   ARG  20          2HG       ARG  20   4.225  -1.129  -0.789
  172   2HG   ARG  20          1HG       ARG  20   4.647  -0.066  -2.132
  173   1HD   ARG  20          2HD       ARG  20   4.616   1.560   0.200
  174   2HD   ARG  20          1HD       ARG  20   5.539   0.096   0.597
  175    HE   ARG  20           HE       ARG  20   6.372   0.821  -1.975
  176   1HH1  ARG  20          1HH2      ARG  20   5.722   3.343  -0.014
  177   2HH1  ARG  20          2HH2      ARG  20   7.358   3.839   0.263
  178   1HH2  ARG  20          1HH1      ARG  20   8.739   0.974  -1.118
  179   2HH2  ARG  20          2HH1      ARG  20   9.066   2.497  -0.362
  180    H    CYS  21           H        CYS  21   1.098   2.195   0.482
  181    HA   CYS  21           HA       CYS  21  -1.608   1.609  -0.528
  182   1HB   CYS  21          2HB       CYS  21  -1.449   0.664   1.798
  183   2HB   CYS  21          1HB       CYS  21  -1.125   2.293   2.387
  184    H    ARG  22           H        ARG  22  -2.303   3.465  -1.484
  185    HA   ARG  22           HA       ARG  22  -1.090   6.064  -0.631
  186   1HB   ARG  22          2HB       ARG  22  -2.480   5.137  -3.168
  187   2HB   ARG  22          1HB       ARG  22  -1.832   6.759  -2.920
  188   1HG   ARG  22          2HG       ARG  22  -0.171   4.235  -2.692
  189   2HG   ARG  22          1HG       ARG  22  -0.273   5.211  -4.157
  190   1HD   ARG  22          2HD       ARG  22   0.677   7.134  -3.030
  191   2HD   ARG  22          1HD       ARG  22   0.600   6.307  -1.461
  192    HE   ARG  22           HE       ARG  22   2.222   4.634  -2.403
  193   1HH1  ARG  22          1HH2      ARG  22   2.393   7.938  -3.049
  194   2HH1  ARG  22          2HH2      ARG  22   3.662   7.816  -4.221
  195   1HH2  ARG  22          1HH1      ARG  22   3.611   4.350  -4.307
  196   2HH2  ARG  22          2HH1      ARG  22   4.353   5.784  -4.932
  197    H    PHE  23           H        PHE  23  -2.427   7.368   0.570
  198    HA   PHE  23           HA       PHE  23  -5.385   6.920   0.367
  199   1HB   PHE  23          2HB       PHE  23  -3.905   6.650   2.523
  200   2HB   PHE  23          1HB       PHE  23  -3.975   8.412   2.567
  201    HD1  PHE  23           HD1      PHE  23  -6.549   9.228   1.815
  202    HD2  PHE  23           HD2      PHE  23  -5.459   5.657   3.940
  203    HE1  PHE  23           HE1      PHE  23  -8.826   9.114   2.794
  204    HE2  PHE  23           HE2      PHE  23  -7.735   5.544   4.918
  205    HZ   PHE  23           HZ       PHE  23  -9.418   7.273   4.345
  206    H    VAL  24           H        VAL  24  -6.283   8.445  -0.980
  207    HA   VAL  24           HA       VAL  24  -5.065  11.132  -1.223
  208    HB   VAL  24           HB       VAL  24  -7.470   9.807  -2.520
  209   1HG1  VAL  24          1HG1      VAL  24  -6.292  12.509  -2.682
  210   2HG1  VAL  24          2HG1      VAL  24  -7.912  11.960  -3.110
  211   3HG1  VAL  24          3HG1      VAL  24  -6.578  11.738  -4.242
  212   1HG2  VAL  24          1HG2      VAL  24  -4.539   9.913  -3.141
  213   2HG2  VAL  24          2HG2      VAL  24  -5.683   9.912  -4.483
  214   3HG2  VAL  24          3HG2      VAL  24  -5.673   8.575  -3.332
  215    H    VAL  25           H        VAL  25  -5.686  12.697   0.202
  216    HA   VAL  25           HA       VAL  25  -8.064  12.433   1.872
  217    HB   VAL  25           HB       VAL  25  -6.236  14.813   1.438
  218   1HG1  VAL  25          1HG1      VAL  25  -7.357  15.725   3.165
  219   2HG1  VAL  25          2HG1      VAL  25  -7.084  14.286   4.148
  220   3HG1  VAL  25          3HG1      VAL  25  -8.490  14.375   3.087
  221   1HG2  VAL  25          1HG2      VAL  25  -4.550  13.542   2.231
  222   2HG2  VAL  25          2HG2      VAL  25  -5.633  12.164   2.424
  223   3HG2  VAL  25          3HG2      VAL  25  -5.463  13.340   3.727
  224    H    ALA  26           H        ALA  26  -7.068  15.097  -0.328
  225    HA   ALA  26           HA       ALA  26  -9.439  16.497  -0.555
  226   1HB   ALA  26          1HB       ALA  26  -7.785  15.720  -2.966
  227   2HB   ALA  26          2HB       ALA  26  -7.141  16.776  -1.709
  228   3HB   ALA  26          3HB       ALA  26  -8.561  17.268  -2.632
  229    H    GLU  27           H        GLU  27  -8.558  13.579  -2.408
  230    HA   GLU  27           HA       GLU  27 -11.431  13.278  -3.206
  231   1HB   GLU  27          2HB       GLU  27  -9.133  13.349  -4.709
  232   2HB   GLU  27          1HB       GLU  27  -9.328  11.613  -4.457
  233   1HG   GLU  27          2HG       GLU  27 -11.257  11.512  -5.691
  234   2HG   GLU  27          1HG       GLU  27 -11.784  13.120  -5.190
  235    H    GLN  28           H        GLN  28 -11.998  12.276  -1.156
  236    HA   GLN  28           HA       GLN  28 -10.888  10.351   0.389
  237   1HB   GLN  28          2HB       GLN  28 -13.497  11.198  -0.341
  238   2HB   GLN  28          1HB       GLN  28 -13.523   9.434  -0.326
  239   1HG   GLN  28          2HG       GLN  28 -12.784   9.338   1.934
  240   2HG   GLN  28          1HG       GLN  28 -12.308  11.036   1.930
  241   1HE2  GLN  28          1HE2      GLN  28 -13.815  11.143   3.892
  242   2HE2  GLN  28          2HE2      GLN  28 -15.475  11.362   3.609
  243    H    THR  29           H        THR  29  -9.352   9.036  -0.781
  244    HA   THR  29           HA       THR  29 -10.613   6.685  -2.104
  245    HB   THR  29           HB       THR  29  -8.523   8.510  -3.330
  246    HG1  THR  29           1HG      THR  29 -10.935   7.708  -4.502
  247   1HG2  THR  29          1HG2      THR  29  -9.608   5.844  -4.270
  248   2HG2  THR  29          2HG2      THR  29  -7.945   6.193  -3.802
  249   3HG2  THR  29          3HG2      THR  29  -8.623   6.927  -5.254
  250    HA   PRO  30           HA       PRO  30  -7.089   5.558   0.612
  251   1HB   PRO  30          2HB       PRO  30  -8.390   3.531   1.903
  252   2HB   PRO  30          1HB       PRO  30  -8.502   5.225   2.418
  253   1HG   PRO  30          2HG       PRO  30 -10.455   3.571   0.928
  254   2HG   PRO  30          1HG       PRO  30 -10.730   4.871   2.095
  255   1HD   PRO  30          2HD       PRO  30 -10.938   5.121  -0.657
  256   2HD   PRO  30          1HD       PRO  30 -10.727   6.467   0.482
  257    H    SER  31           H        SER  31  -6.190   4.779  -1.495
  258    HA   SER  31           HA       SER  31  -6.995   2.076  -2.382
  259   1HB   SER  31          2HB       SER  31  -6.535   3.806  -4.030
  260   2HB   SER  31          1HB       SER  31  -4.955   4.119  -3.316
  261    HG   SER  31           HG       SER  31  -4.319   2.675  -4.710
  262    H    CYS  32           H        CYS  32  -5.735   0.230  -2.047
  263    HA   CYS  32           HA       CYS  32  -3.164   0.596  -0.547
  264   1HB   CYS  32          2HB       CYS  32  -3.891  -1.484   0.696
  265   2HB   CYS  32          1HB       CYS  32  -4.910  -0.075   0.986
  266    H    VAL  33           H        VAL  33  -1.612  -0.063  -1.997
  267    HA   VAL  33           HA       VAL  33  -2.192  -2.357  -3.813
  268    HB   VAL  33           HB       VAL  33   0.255  -0.577  -3.731
  269   1HG1  VAL  33          1HG1      VAL  33  -0.432  -2.768  -5.286
  270   2HG1  VAL  33          2HG1      VAL  33   0.770  -1.550  -5.709
  271   3HG1  VAL  33          3HG1      VAL  33  -0.884  -1.400  -6.301
  272   1HG2  VAL  33          1HG2      VAL  33  -2.504  -0.024  -4.823
  273   2HG2  VAL  33          2HG2      VAL  33  -1.077   0.734  -5.532
  274   3HG2  VAL  33          3HG2      VAL  33  -1.482   1.024  -3.840
  275    H    CYS  34           H        CYS  34  -0.522  -4.081  -3.971
  276    HA   CYS  34           HA       CYS  34   1.171  -4.353  -1.514
  277   1HB   CYS  34          2HB       CYS  34  -0.454  -6.585  -2.757
  278   2HB   CYS  34          1HB       CYS  34   0.319  -6.565  -1.172
  279    H    ASP  35           H        ASP  35   2.935  -5.980  -1.827
  280    HA   ASP  35           HA       ASP  35   4.387  -5.639  -4.239
  281   1HB   ASP  35          2HB       ASP  35   4.627  -6.927  -1.728
  282   2HB   ASP  35          1HB       ASP  35   4.958  -8.161  -2.945
  283    H    GLU  36           H        GLU  36   3.956  -6.467  -6.251
  284    HA   GLU  36           HA       GLU  36   1.873  -8.070  -7.071
  285   1HB   GLU  36          2HB       GLU  36   4.690  -7.637  -7.992
  286   2HB   GLU  36          1HB       GLU  36   3.727  -8.862  -8.817
  287   1HG   GLU  36          2HG       GLU  36   2.370  -7.319  -9.795
  288   2HG   GLU  36          1HG       GLU  36   2.321  -6.308  -8.349
  289    H    GLY  37           H        GLY  37   4.969  -9.198  -5.733
  290   1HA   GLY  37          2HA       GLY  37   4.116 -12.016  -5.995
  291   2HA   GLY  37          1HA       GLY  37   5.688 -11.462  -5.418
  292    H    TYR  38           H        TYR  38   2.369 -10.668  -4.325
  293    HA   TYR  38           HA       TYR  38   3.187 -11.650  -1.610
  294   1HB   TYR  38          2HB       TYR  38   2.371  -9.685  -0.689
  295   2HB   TYR  38          1HB       TYR  38   2.869  -9.077  -2.263
  296    HD1  TYR  38           HD1      TYR  38   0.277  -9.033   0.043
  297    HD2  TYR  38           HD2      TYR  38   0.945  -9.507  -4.174
  298    HE1  TYR  38           HE1      TYR  38  -2.063  -8.340  -0.410
  299    HE2  TYR  38           HE2      TYR  38  -1.388  -8.812  -4.625
  300    HH   TYR  38           HH       TYR  38  -3.349  -7.340  -2.303
  301    H    ILE  39           H        ILE  39   1.315 -12.358  -0.255
  302    HA   ILE  39           HA       ILE  39  -1.120 -13.129  -1.802
  303    HB   ILE  39           HB       ILE  39   0.526 -15.016  -0.090
  304   1HG1  ILE  39          2HG1      ILE  39   1.737 -14.283  -2.151
  305   2HG1  ILE  39          1HG1      ILE  39   1.318 -15.996  -2.182
  306   1HG2  ILE  39          1HG2      ILE  39  -0.910 -16.732  -0.964
  307   2HG2  ILE  39          2HG2      ILE  39  -1.635 -15.618  -2.124
  308   3HG2  ILE  39          3HG2      ILE  39  -1.961 -15.433  -0.400
  309   1HD1  ILE  39          1HD1      ILE  39  -0.839 -14.385  -3.269
  310   2HD1  ILE  39          2HD1      ILE  39   0.037 -15.722  -4.015
  311   3HD1  ILE  39          3HD1      ILE  39   0.670 -14.079  -4.129
  312    H    GLY  40           H        GLY  40  -2.948 -13.613  -0.389
  313   1HA   GLY  40          2HA       GLY  40  -3.959 -13.797   1.816
  314   2HA   GLY  40          1HA       GLY  40  -2.559 -12.962   2.489
  315    H    ALA  41           H        ALA  41  -5.423 -12.266   2.762
  316    HA   ALA  41           HA       ALA  41  -6.058  -9.992   1.109
  317   1HB   ALA  41          1HB       ALA  41  -7.524  -9.603   3.315
  318   2HB   ALA  41          2HB       ALA  41  -6.985 -11.247   3.659
  319   3HB   ALA  41          3HB       ALA  41  -7.893 -10.907   2.185
  320    H    ARG  42           H        ARG  42  -4.533 -10.307   4.324
  321    HA   ARG  42           HA       ARG  42  -4.140  -7.380   4.504
  322   1HB   ARG  42          2HB       ARG  42  -4.037  -9.773   6.230
  323   2HB   ARG  42          1HB       ARG  42  -2.817  -8.557   6.609
  324   1HG   ARG  42          2HG       ARG  42  -4.368  -7.006   7.273
  325   2HG   ARG  42          1HG       ARG  42  -5.569  -7.553   6.103
  326   1HD   ARG  42          2HD       ARG  42  -4.897  -9.517   8.226
  327   2HD   ARG  42          1HD       ARG  42  -5.774  -8.071   8.763
  328    HE   ARG  42           HE       ARG  42  -6.721  -9.829   6.530
  329   1HH1  ARG  42          1HH1      ARG  42  -7.866  -7.036   6.808
  330   2HH1  ARG  42          2HH1      ARG  42  -9.294  -7.341   7.739
  331   1HH2  ARG  42          1HH2      ARG  42  -8.285 -10.502   8.745
  332   2HH2  ARG  42          2HH2      ARG  42  -9.532  -9.302   8.835
  333    H    CYS  43           H        CYS  43  -2.648  -9.653   2.738
  334    HA   CYS  43           HA       CYS  43  -0.509  -9.741   1.734
  335   1HB   CYS  43          2HB       CYS  43   0.058  -7.208   3.289
  336   2HB   CYS  43          1HB       CYS  43   0.699  -7.684   1.718
  337    H    GLU  44           H        GLU  44  -0.660 -11.447   3.796
  338    HA   GLU  44           HA       GLU  44   1.610 -10.838   5.646
  339   1HB   GLU  44          2HB       GLU  44  -0.737 -11.487   6.433
  340   2HB   GLU  44          1HB       GLU  44  -0.407 -13.092   5.780
  341   1HG   GLU  44          2HG       GLU  44   1.519 -13.348   7.243
  342   2HG   GLU  44          1HG       GLU  44   1.341 -11.693   7.824
  343    H    ARG  45           H        ARG  45   0.482 -13.109   3.183
  344    HA   ARG  45           HA       ARG  45   2.876 -14.829   3.557
  345   1HB   ARG  45          2HB       ARG  45   0.189 -14.978   2.348
  346   2HB   ARG  45          1HB       ARG  45   1.445 -15.791   1.413
  347   1HG   ARG  45          2HG       ARG  45   1.957 -17.279   3.144
  348   2HG   ARG  45          1HG       ARG  45   1.278 -16.222   4.384
  349   1HD   ARG  45          2HD       ARG  45  -1.004 -16.648   3.460
  350   2HD   ARG  45          1HD       ARG  45  -0.291 -17.794   2.308
  351    HE   ARG  45           HE       ARG  45   0.186 -18.149   5.235
  352   1HH1  ARG  45          1HH1      ARG  45   0.922 -19.909   2.709
  353   2HH1  ARG  45          2HH1      ARG  45  -0.156 -21.237   2.980
  354   1HH2  ARG  45          1HH2      ARG  45  -2.037 -19.569   5.367
  355   2HH2  ARG  45          2HH2      ARG  45  -1.831 -21.045   4.484
  356    H    VAL  46           H        VAL  46   4.001 -15.467   1.409
  357    HA   VAL  46           HA       VAL  46   4.068 -13.231  -0.562
  358    HB   VAL  46           HB       VAL  46   5.723 -12.646   1.082
  359   1HG1  VAL  46          1HG1      VAL  46   6.215 -15.585   1.043
  360   2HG1  VAL  46          2HG1      VAL  46   6.210 -14.463   2.404
  361   3HG1  VAL  46          3HG1      VAL  46   7.610 -14.546   1.335
  362   1HG2  VAL  46          1HG2      VAL  46   7.653 -13.948  -0.697
  363   2HG2  VAL  46          2HG2      VAL  46   7.334 -12.230  -0.457
  364   3HG2  VAL  46          3HG2      VAL  46   6.342 -13.163  -1.578
  365    H    ASP  47           H        ASP  47   4.563 -13.943  -2.633
  366    HA   ASP  47           HA       ASP  47   5.600 -16.721  -2.986
  367   1HB   ASP  47          2HB       ASP  47   2.907 -15.970  -3.155
  368   2HB   ASP  47          1HB       ASP  47   3.444 -16.059  -4.833
  369    H    LEU  48           H        LEU  48   7.359 -14.840  -3.486
  370    HA   LEU  48           HA       LEU  48   7.072 -13.911  -6.308
  371   1HB   LEU  48          2HB       LEU  48   7.825 -12.613  -4.066
  372   2HB   LEU  48          1HB       LEU  48   9.402 -13.208  -4.589
  373    HG   LEU  48           HG       LEU  48   7.583 -11.890  -6.582
  374   1HD1  LEU  48          1HD1      LEU  48   8.564  -9.712  -6.027
  375   2HD1  LEU  48          2HD1      LEU  48   9.476 -10.440  -4.705
  376   3HD1  LEU  48          3HD1      LEU  48   7.716 -10.362  -4.625
  377   1HD2  LEU  48          1HD2      LEU  48   9.552 -12.922  -7.487
  378   2HD2  LEU  48          2HD2      LEU  48  10.569 -12.241  -6.217
  379   3HD2  LEU  48          3HD2      LEU  48   9.874 -11.188  -7.450
  380    H    PHE  49           H        PHE  49   7.578 -16.733  -5.779
  381    HA   PHE  49           HA       PHE  49  10.184 -17.668  -5.791
  382   1HB   PHE  49          2HB       PHE  49   7.698 -18.655  -6.317
  383   2HB   PHE  49          1HB       PHE  49   8.424 -18.744  -7.921
  384    HD1  PHE  49           HD1      PHE  49  10.869 -19.732  -8.010
  385    HD2  PHE  49           HD2      PHE  49   8.098 -20.383  -4.794
  386    HE1  PHE  49           HE1      PHE  49  12.137 -21.750  -7.327
  387    HE2  PHE  49           HE2      PHE  49   9.366 -22.402  -4.110
  388    HZ   PHE  49           HZ       PHE  49  11.386 -23.085  -5.376
  389    H    TYR  50           H        TYR  50   8.475 -16.106  -8.493
  390    HA   TYR  50           HA       TYR  50  10.112 -16.525 -10.671
  391   1HB   TYR  50          2HB       TYR  50   8.557 -14.232  -9.575
  392   2HB   TYR  50          1HB       TYR  50   9.650 -13.875 -10.912
  393    HD1  TYR  50           HD1      TYR  50   8.884 -14.183 -13.090
  394    HD2  TYR  50           HD2      TYR  50   7.095 -16.433  -9.898
  395    HE1  TYR  50           HE1      TYR  50   7.258 -15.158 -14.688
  396    HE2  TYR  50           HE2      TYR  50   5.469 -17.407 -11.497
  397    HH   TYR  50           HH       TYR  50   4.663 -17.323 -13.578
  Start of MODEL    2
    1   1H    ARG   1          H1        ARG   1  -2.453  19.177 -15.090
    2   2H    ARG   1          H2        ARG   1  -4.052  19.576 -14.677
    3   3H    ARG   1          H3        ARG   1  -3.714  18.104 -15.455
    4    HA   ARG   1           HA       ARG   1  -2.677  18.799 -12.756
    5   1HB   ARG   1          2HB       ARG   1  -4.562  17.395 -11.969
    6   2HB   ARG   1          1HB       ARG   1  -5.148  18.799 -12.863
    7   1HG   ARG   1          2HG       ARG   1  -5.402  17.429 -14.886
    8   2HG   ARG   1          1HG       ARG   1  -4.774  16.023 -14.025
    9   1HD   ARG   1          2HD       ARG   1  -7.156  15.795 -13.933
   10   2HD   ARG   1          1HD       ARG   1  -6.702  16.431 -12.338
   11    HE   ARG   1           HE       ARG   1  -7.412  18.353 -14.504
   12   1HH1  ARG   1          1HH1      ARG   1  -6.926  18.776 -11.435
   13   2HH1  ARG   1          2HH1      ARG   1  -8.549  19.106 -10.930
   14   1HH2  ARG   1          1HH2      ARG   1  -9.981  17.952 -13.871
   15   2HH2  ARG   1          2HH2      ARG   1 -10.280  18.640 -12.308
   16    H    LYS   2           H        LYS   2  -1.272  17.223 -12.025
   17    HA   LYS   2           HA       LYS   2  -0.859  14.836 -13.790
   18   1HB   LYS   2          2HB       LYS   2   0.831  16.818 -12.539
   19   2HB   LYS   2          1HB       LYS   2   1.281  15.211 -11.969
   20   1HG   LYS   2          2HG       LYS   2   2.085  14.586 -13.997
   21   2HG   LYS   2          1HG       LYS   2   0.743  15.339 -14.859
   22   1HD   LYS   2          2HD       LYS   2   2.702  17.164 -13.552
   23   2HD   LYS   2          1HD       LYS   2   3.242  16.308 -14.996
   24   1HE   LYS   2          2HE       LYS   2   0.574  17.715 -14.992
   25   2HE   LYS   2          1HE       LYS   2   2.068  18.616 -15.321
   26   1HZ   LYS   2          1HZ       LYS   2   0.778  17.291 -17.211
   27   2HZ   LYS   2          2HZ       LYS   2   1.763  16.031 -16.636
   28   3HZ   LYS   2          3HZ       LYS   2   2.465  17.465 -17.215
   29    H    GLY   3           H        GLY   3  -0.862  15.842 -10.352
   30   1HA   GLY   3          2HA       GLY   3  -2.425  14.170  -9.048
   31   2HA   GLY   3          1HA       GLY   3  -1.219  12.994  -9.573
   32    H    HIS   4           H        HIS   4  -1.700  13.506  -6.839
   33    HA   HIS   4           HA       HIS   4   0.935  13.917  -5.836
   34   1HB   HIS   4          2HB       HIS   4   0.433  16.226  -4.808
   35   2HB   HIS   4          1HB       HIS   4   0.752  16.190  -6.542
   36    HD1  HIS   4           HD1      HIS   4  -2.522  14.794  -5.713
   37    HD2  HIS   4           HD2      HIS   4  -1.007  18.592  -6.524
   38    HE1  HIS   4           HE1      HIS   4  -4.515  16.262  -6.243
   39    H    PHE   5           H        PHE   5   0.149  12.110  -4.561
   40    HA   PHE   5           HA       PHE   5  -1.889  12.834  -2.482
   41   1HB   PHE   5          2HB       PHE   5  -0.977  10.096  -3.415
   42   2HB   PHE   5          1HB       PHE   5  -2.402  10.471  -2.447
   43    HD1  PHE   5           HD1      PHE   5  -3.863  12.498  -3.625
   44    HD2  PHE   5           HD2      PHE   5  -1.430   9.586  -5.636
   45    HE1  PHE   5           HE1      PHE   5  -5.186  12.824  -5.696
   46    HE2  PHE   5           HE2      PHE   5  -2.753   9.911  -7.708
   47    HZ   PHE   5           HZ       PHE   5  -4.631  11.531  -7.738
   48    H    SER   6           H        SER   6  -1.202  10.575  -0.820
   49    HA   SER   6           HA       SER   6   1.569  11.281   0.082
   50   1HB   SER   6          2HB       SER   6  -1.016  11.710   1.330
   51   2HB   SER   6          1HB       SER   6  -0.006  10.678   2.341
   52    HG   SER   6           HG       SER   6   0.991  13.036   1.143
   53    H    ARG   7           H        ARG   7   2.761   9.517   0.869
   54    HA   ARG   7           HA       ARG   7   1.759   6.841   0.217
   55   1HB   ARG   7          2HB       ARG   7   4.295   8.156   1.099
   56   2HB   ARG   7          1HB       ARG   7   4.141   6.420   1.372
   57   1HG   ARG   7          2HG       ARG   7   3.494   6.174  -1.051
   58   2HG   ARG   7          1HG       ARG   7   3.890   7.879  -1.272
   59   1HD   ARG   7          2HD       ARG   7   6.062   6.585   0.117
   60   2HD   ARG   7          1HD       ARG   7   5.690   5.692  -1.371
   61    HE   ARG   7           HE       ARG   7   5.574   8.319  -2.189
   62   1HH1  ARG   7          1HH1      ARG   7   7.880   6.139  -0.885
   63   2HH1  ARG   7          2HH1      ARG   7   9.245   7.137  -1.258
   64   1HH2  ARG   7          1HH2      ARG   7   7.330   9.749  -2.498
   65   2HH2  ARG   7          2HH2      ARG   7   8.933   9.181  -2.172
   66    H    CYS   8           H        CYS   8   0.734   5.514   1.660
   67    HA   CYS   8           HA       CYS   8   0.041   6.269   4.311
   68   1HB   CYS   8          2HB       CYS   8  -0.497   4.234   2.470
   69   2HB   CYS   8          1HB       CYS   8   0.199   3.390   3.854
   70    HA   PRO   9           HA       PRO   9   3.932   5.412   6.287
   71   1HB   PRO   9          2HB       PRO   9   3.073   5.801   8.856
   72   2HB   PRO   9          1HB       PRO   9   3.417   7.138   7.740
   73   1HG   PRO   9          2HG       PRO   9   0.803   5.956   8.527
   74   2HG   PRO   9          1HG       PRO   9   1.234   7.646   8.231
   75   1HD   PRO   9          2HD       PRO   9  -0.103   6.092   6.428
   76   2HD   PRO   9          1HD       PRO   9   0.929   7.466   5.971
   77    H    LYS  10           H        LYS  10   4.766   3.751   7.799
   78    HA   LYS  10           HA       LYS  10   3.564   1.182   7.491
   79   1HB   LYS  10          2HB       LYS  10   5.581   2.259   9.489
   80   2HB   LYS  10          1HB       LYS  10   5.303   0.546   9.167
   81   1HG   LYS  10          2HG       LYS  10   5.657   1.642   6.632
   82   2HG   LYS  10          1HG       LYS  10   6.842   2.492   7.626
   83   1HD   LYS  10          2HD       LYS  10   8.118   0.639   7.878
   84   2HD   LYS  10          1HD       LYS  10   6.715  -0.380   8.202
   85   1HE   LYS  10          2HE       LYS  10   6.230  -0.194   5.661
   86   2HE   LYS  10          1HE       LYS  10   7.908   0.369   5.530
   87   1HZ   LYS  10          1HZ       LYS  10   8.735  -1.609   6.232
   88   2HZ   LYS  10          2HZ       LYS  10   7.298  -2.196   5.543
   89   3HZ   LYS  10          3HZ       LYS  10   7.403  -1.956   7.222
   90    H    GLN  11           H        GLN  11   3.244   3.638  10.005
   91    HA   GLN  11           HA       GLN  11   2.058   2.010  12.044
   92   1HB   GLN  11          2HB       GLN  11   2.348   4.872  11.323
   93   2HB   GLN  11          1HB       GLN  11   1.001   4.501  12.401
   94   1HG   GLN  11          2HG       GLN  11   3.564   3.168  13.059
   95   2HG   GLN  11          1HG       GLN  11   3.540   4.920  13.274
   96   1HE2  GLN  11          1HE2      GLN  11   0.933   5.396  14.144
   97   2HE2  GLN  11          2HE2      GLN  11   0.651   4.583  15.607
   98    H    TYR  12           H        TYR  12   0.744   3.536   9.150
   99    HA   TYR  12           HA       TYR  12  -2.032   2.815   9.955
  100   1HB   TYR  12          2HB       TYR  12  -0.696   4.833   8.358
  101   2HB   TYR  12          1HB       TYR  12  -1.955   4.036   7.414
  102    HD1  TYR  12           HD1      TYR  12  -1.483   6.834   9.257
  103    HD2  TYR  12           HD2      TYR  12  -4.060   3.399   9.214
  104    HE1  TYR  12           HE1      TYR  12  -3.216   8.119  10.480
  105    HE2  TYR  12           HE2      TYR  12  -5.794   4.684  10.438
  106    HH   TYR  12           HH       TYR  12  -5.154   7.952  11.634
  107    H    LYS  13           H        LYS  13   0.527   1.338   8.435
  108    HA   LYS  13           HA       LYS  13  -1.009   0.076   6.244
  109   1HB   LYS  13          2HB       LYS  13   1.649   0.753   6.757
  110   2HB   LYS  13          1HB       LYS  13   1.628  -1.005   6.901
  111   1HG   LYS  13          2HG       LYS  13   1.519  -1.207   4.664
  112   2HG   LYS  13          1HG       LYS  13   0.038  -0.250   4.635
  113   1HD   LYS  13          2HD       LYS  13   1.125   1.634   3.980
  114   2HD   LYS  13          1HD       LYS  13   2.485   1.334   5.063
  115   1HE   LYS  13          2HE       LYS  13   3.075  -0.592   3.380
  116   2HE   LYS  13          1HE       LYS  13   2.053   0.328   2.259
  117   1HZ   LYS  13          1HZ       LYS  13   4.578   1.092   3.515
  118   2HZ   LYS  13          2HZ       LYS  13   3.410   2.311   3.322
  119   3HZ   LYS  13          3HZ       LYS  13   3.987   1.460   1.969
  120    H    HIS  14           H        HIS  14  -2.217  -0.542   8.688
  121    HA   HIS  14           HA       HIS  14  -1.152  -3.108   9.675
  122   1HB   HIS  14          2HB       HIS  14  -3.255  -1.123  10.351
  123   2HB   HIS  14          1HB       HIS  14  -3.609  -2.791  10.801
  124    HD1  HIS  14           HD1      HIS  14  -2.687  -3.483  13.005
  125    HD2  HIS  14           HD2      HIS  14  -0.466  -0.379  11.329
  126    HE1  HIS  14           HE1      HIS  14  -0.902  -2.884  14.699
  127    H    TYR  15           H        TYR  15  -3.405  -1.966   7.306
  128    HA   TYR  15           HA       TYR  15  -4.788  -4.578   7.108
  129   1HB   TYR  15          2HB       TYR  15  -5.974  -3.318   5.237
  130   2HB   TYR  15          1HB       TYR  15  -6.135  -2.596   6.837
  131    HD1  TYR  15           HD1      TYR  15  -5.721  -0.320   7.056
  132    HD2  TYR  15           HD2      TYR  15  -3.816  -2.497   3.881
  133    HE1  TYR  15           HE1      TYR  15  -4.723   1.787   6.212
  134    HE2  TYR  15           HE2      TYR  15  -2.816  -0.389   3.037
  135    HH   TYR  15           HH       TYR  15  -3.686   2.739   4.420
  136    H    CYS  16           H        CYS  16  -1.842  -3.388   6.161
  137    HA   CYS  16           HA       CYS  16  -1.558  -5.431   4.061
  138   1HB   CYS  16          2HB       CYS  16  -1.836  -2.500   3.561
  139   2HB   CYS  16          1HB       CYS  16  -0.655  -3.377   2.588
  140    H    ILE  17           H        ILE  17   0.233  -6.297   5.167
  141    HA   ILE  17           HA       ILE  17   2.321  -4.639   6.330
  142    HB   ILE  17           HB       ILE  17   2.350  -7.572   5.556
  143   1HG1  ILE  17          2HG1      ILE  17   0.332  -7.081   6.859
  144   2HG1  ILE  17          1HG1      ILE  17   1.489  -7.951   7.867
  145   1HG2  ILE  17          1HG2      ILE  17   3.770  -7.552   7.749
  146   2HG2  ILE  17          2HG2      ILE  17   3.940  -5.827   7.422
  147   3HG2  ILE  17          3HG2      ILE  17   4.518  -7.009   6.248
  148   1HD1  ILE  17          1HD1      ILE  17   0.393  -5.286   8.226
  149   2HD1  ILE  17          2HD1      ILE  17   2.156  -5.243   8.178
  150   3HD1  ILE  17          3HD1      ILE  17   1.329  -6.265   9.355
  151    H    LYS  18           H        LYS  18   2.663  -7.101   3.752
  152    HA   LYS  18           HA       LYS  18   4.922  -5.566   2.609
  153   1HB   LYS  18          2HB       LYS  18   5.168  -7.620   1.240
  154   2HB   LYS  18          1HB       LYS  18   5.042  -8.009   2.955
  155   1HG   LYS  18          2HG       LYS  18   2.405  -7.998   2.168
  156   2HG   LYS  18          1HG       LYS  18   3.213  -8.659   0.749
  157   1HD   LYS  18          2HD       LYS  18   3.403  -9.684   3.594
  158   2HD   LYS  18          1HD       LYS  18   2.659 -10.502   2.219
  159   1HE   LYS  18          2HE       LYS  18   4.662 -11.297   1.495
  160   2HE   LYS  18          1HE       LYS  18   5.444  -9.718   1.699
  161   1HZ   LYS  18          1HZ       LYS  18   5.096 -11.880   3.647
  162   2HZ   LYS  18          2HZ       LYS  18   5.058 -10.280   4.218
  163   3HZ   LYS  18          3HZ       LYS  18   6.428 -10.860   3.398
  164    H    GLY  19           H        GLY  19   2.847  -3.952   2.196
  165   1HA   GLY  19          2HA       GLY  19   2.429  -4.100  -0.711
  166   2HA   GLY  19          1HA       GLY  19   0.956  -4.180   0.259
  167    H    ARG  20           H        ARG  20   2.347  -2.041  -1.556
  168    HA   ARG  20           HA       ARG  20   2.535   0.218   0.363
  169   1HB   ARG  20          2HB       ARG  20   3.170  -0.307  -2.532
  170   2HB   ARG  20          1HB       ARG  20   3.043   1.356  -1.957
  171   1HG   ARG  20          2HG       ARG  20   5.309   0.912  -1.613
  172   2HG   ARG  20          1HG       ARG  20   4.624   0.521  -0.034
  173   1HD   ARG  20          2HD       ARG  20   4.562  -1.861  -0.605
  174   2HD   ARG  20          1HD       ARG  20   5.157  -1.504  -2.239
  175    HE   ARG  20           HE       ARG  20   7.096  -0.333  -0.802
  176   1HH1  ARG  20          1HH2      ARG  20   5.663  -3.450  -0.768
  177   2HH1  ARG  20          2HH2      ARG  20   6.892  -4.158   0.226
  178   1HH2  ARG  20          1HH1      ARG  20   8.606  -1.180   0.693
  179   2HH2  ARG  20          2HH1      ARG  20   8.558  -2.873   1.053
  180    H    CYS  21           H        CYS  21   0.816   1.567   0.697
  181    HA   CYS  21           HA       CYS  21  -1.403   1.549  -1.325
  182   1HB   CYS  21          2HB       CYS  21  -2.853   1.885   0.756
  183   2HB   CYS  21          1HB       CYS  21  -2.091   0.302   0.606
  184    H    ARG  22           H        ARG  22  -2.394   3.577  -1.703
  185    HA   ARG  22           HA       ARG  22  -0.906   5.937  -0.616
  186   1HB   ARG  22          2HB       ARG  22  -2.649   5.614  -3.083
  187   2HB   ARG  22          1HB       ARG  22  -1.670   7.026  -2.684
  188   1HG   ARG  22          2HG       ARG  22   0.246   6.045  -3.400
  189   2HG   ARG  22          1HG       ARG  22  -0.167   4.497  -2.661
  190   1HD   ARG  22          2HD       ARG  22  -0.890   3.678  -4.647
  191   2HD   ARG  22          1HD       ARG  22  -1.939   5.087  -4.897
  192    HE   ARG  22           HE       ARG  22   0.987   5.078  -5.543
  193   1HH1  ARG  22          1HH2      ARG  22  -1.786   4.970  -7.225
  194   2HH1  ARG  22          2HH2      ARG  22  -1.634   6.502  -8.019
  195   1HH2  ARG  22          1HH1      ARG  22   0.993   7.574  -6.027
  196   2HH2  ARG  22          2HH1      ARG  22  -0.063   7.977  -7.340
  197    H    PHE  23           H        PHE  23  -2.110   7.637   0.330
  198    HA   PHE  23           HA       PHE  23  -5.038   7.097   0.716
  199   1HB   PHE  23          2HB       PHE  23  -3.232   6.874   2.629
  200   2HB   PHE  23          1HB       PHE  23  -3.337   8.635   2.657
  201    HD1  PHE  23           HD1      PHE  23  -5.970   9.436   2.354
  202    HD2  PHE  23           HD2      PHE  23  -4.577   5.819   4.205
  203    HE1  PHE  23           HE1      PHE  23  -8.074   9.292   3.657
  204    HE2  PHE  23           HE2      PHE  23  -6.682   5.675   5.508
  205    HZ   PHE  23           HZ       PHE  23  -8.430   7.412   5.234
  206    H    VAL  24           H        VAL  24  -6.050   8.582  -0.623
  207    HA   VAL  24           HA       VAL  24  -4.881  11.235  -1.114
  208    HB   VAL  24           HB       VAL  24  -7.628  10.215  -1.859
  209   1HG1  VAL  24          1HG1      VAL  24  -7.376  11.691  -3.750
  210   2HG1  VAL  24          2HG1      VAL  24  -5.681  11.984  -3.361
  211   3HG1  VAL  24          3HG1      VAL  24  -6.948  12.610  -2.305
  212   1HG2  VAL  24          1HG2      VAL  24  -5.991   9.679  -4.019
  213   2HG2  VAL  24          2HG2      VAL  24  -6.566   8.476  -2.863
  214   3HG2  VAL  24          3HG2      VAL  24  -4.978   9.214  -2.653
  215    H    VAL  25           H        VAL  25  -5.197  12.892   0.296
  216    HA   VAL  25           HA       VAL  25  -7.258  12.776   2.379
  217    HB   VAL  25           HB       VAL  25  -5.287  14.937   1.564
  218   1HG1  VAL  25          1HG1      VAL  25  -7.391  15.220   3.248
  219   2HG1  VAL  25          2HG1      VAL  25  -5.861  16.066   3.470
  220   3HG1  VAL  25          3HG1      VAL  25  -6.188  14.585   4.370
  221   1HG2  VAL  25          1HG2      VAL  25  -4.566  12.459   2.290
  222   2HG2  VAL  25          2HG2      VAL  25  -4.854  13.124   3.897
  223   3HG2  VAL  25          3HG2      VAL  25  -3.671  13.880   2.829
  224    H    ALA  26           H        ALA  26  -6.453  15.350   0.003
  225    HA   ALA  26           HA       ALA  26  -8.719  16.916   0.116
  226   1HB   ALA  26          1HB       ALA  26  -8.029  17.678  -1.977
  227   2HB   ALA  26          2HB       ALA  26  -7.711  16.050  -2.575
  228   3HB   ALA  26          3HB       ALA  26  -6.579  16.817  -1.461
  229    H    GLU  27           H        GLU  27  -8.406  13.745  -1.394
  230    HA   GLU  27           HA       GLU  27 -11.383  13.671  -1.751
  231   1HB   GLU  27          2HB       GLU  27  -9.199  13.422  -3.643
  232   2HB   GLU  27          1HB       GLU  27 -10.135  11.926  -3.599
  233   1HG   GLU  27          2HG       GLU  27 -11.557  14.573  -3.725
  234   2HG   GLU  27          1HG       GLU  27 -10.895  13.861  -5.198
  235    H    GLN  28           H        GLN  28 -11.607  12.528   0.259
  236    HA   GLN  28           HA       GLN  28 -10.217  10.531   1.465
  237   1HB   GLN  28          2HB       GLN  28 -12.637  11.525   1.784
  238   2HB   GLN  28          1HB       GLN  28 -13.134  10.069   0.919
  239   1HG   GLN  28          2HG       GLN  28 -11.179   9.715   3.138
  240   2HG   GLN  28          1HG       GLN  28 -12.838  10.110   3.589
  241   1HE2  GLN  28          1HE2      GLN  28 -11.938   7.578   4.292
  242   2HE2  GLN  28          2HE2      GLN  28 -12.650   6.402   3.296
  243    H    THR  29           H        THR  29  -8.956   9.286  -0.055
  244    HA   THR  29           HA       THR  29 -10.482   7.018  -1.239
  245    HB   THR  29           HB       THR  29  -8.692   8.969  -2.706
  246    HG1  THR  29           1HG      THR  29 -10.990   9.338  -2.489
  247   1HG2  THR  29          1HG2      THR  29  -7.937   7.178  -3.864
  248   2HG2  THR  29          2HG2      THR  29  -9.552   7.126  -4.568
  249   3HG2  THR  29          3HG2      THR  29  -9.164   6.113  -3.178
  250    HA   PRO  30           HA       PRO  30  -6.514   5.751   0.709
  251   1HB   PRO  30          2HB       PRO  30  -7.584   3.769   2.255
  252   2HB   PRO  30          1HB       PRO  30  -7.519   5.464   2.775
  253   1HG   PRO  30          2HG       PRO  30  -9.808   3.888   1.753
  254   2HG   PRO  30          1HG       PRO  30  -9.777   5.202   2.936
  255   1HD   PRO  30          2HD       PRO  30 -10.554   5.442   0.281
  256   2HD   PRO  30          1HD       PRO  30 -10.078   6.785   1.343
  257    H    SER  31           H        SER  31  -5.930   4.876  -1.403
  258    HA   SER  31           HA       SER  31  -7.114   2.303  -2.248
  259   1HB   SER  31          2HB       SER  31  -6.395   4.360  -3.677
  260   2HB   SER  31          1HB       SER  31  -4.759   3.741  -3.471
  261    HG   SER  31           HG       SER  31  -6.947   2.660  -4.841
  262    H    CYS  32           H        CYS  32  -5.964   0.329  -2.240
  263    HA   CYS  32           HA       CYS  32  -3.334   0.355  -0.798
  264   1HB   CYS  32          2HB       CYS  32  -4.083  -1.639   0.345
  265   2HB   CYS  32          1HB       CYS  32  -5.378  -0.449   0.464
  266    H    VAL  33           H        VAL  33  -1.694  -0.680  -1.862
  267    HA   VAL  33           HA       VAL  33  -2.407  -2.532  -4.114
  268    HB   VAL  33           HB       VAL  33  -0.204  -0.449  -3.926
  269   1HG1  VAL  33          1HG1      VAL  33   0.700  -2.114  -5.300
  270   2HG1  VAL  33          2HG1      VAL  33  -0.123  -1.084  -6.470
  271   3HG1  VAL  33          3HG1      VAL  33  -0.877  -2.585  -5.933
  272   1HG2  VAL  33          1HG2      VAL  33  -1.534   0.956  -5.157
  273   2HG2  VAL  33          2HG2      VAL  33  -2.832   0.026  -4.407
  274   3HG2  VAL  33          3HG2      VAL  33  -2.293  -0.370  -6.039
  275    H    CYS  34           H        CYS  34  -1.785  -4.535  -3.377
  276    HA   CYS  34           HA       CYS  34   0.412  -4.874  -1.463
  277   1HB   CYS  34          2HB       CYS  34  -1.063  -6.993  -3.042
  278   2HB   CYS  34          1HB       CYS  34  -0.339  -7.143  -1.443
  279    H    ASP  35           H        ASP  35   2.385  -6.037  -1.924
  280    HA   ASP  35           HA       ASP  35   3.686  -5.453  -4.379
  281   1HB   ASP  35          2HB       ASP  35   4.111  -7.035  -1.938
  282   2HB   ASP  35          1HB       ASP  35   4.947  -7.696  -3.344
  283    H    GLU  36           H        GLU  36   3.392  -6.366  -6.378
  284    HA   GLU  36           HA       GLU  36   1.537  -8.249  -7.155
  285   1HB   GLU  36          2HB       GLU  36   4.057  -7.150  -8.149
  286   2HB   GLU  36          1HB       GLU  36   3.751  -8.774  -8.771
  287   1HG   GLU  36          2HG       GLU  36   1.469  -6.847  -8.760
  288   2HG   GLU  36          1HG       GLU  36   2.734  -6.608  -9.966
  289    H    GLY  37           H        GLY  37   4.850  -8.966  -6.022
  290   1HA   GLY  37          2HA       GLY  37   4.300 -11.864  -6.172
  291   2HA   GLY  37          1HA       GLY  37   5.845 -11.128  -5.747
  292    H    TYR  38           H        TYR  38   2.571 -10.695  -4.357
  293    HA   TYR  38           HA       TYR  38   3.756 -11.477  -1.715
  294   1HB   TYR  38          2HB       TYR  38   2.708  -9.645  -0.767
  295   2HB   TYR  38          1HB       TYR  38   2.934  -9.020  -2.395
  296    HD1  TYR  38           HD1      TYR  38   0.612  -9.322   0.162
  297    HD2  TYR  38           HD2      TYR  38   0.939  -9.875  -4.086
  298    HE1  TYR  38           HE1      TYR  38  -1.845  -9.076  -0.065
  299    HE2  TYR  38           HE2      TYR  38  -1.514  -9.625  -4.311
  300    HH   TYR  38           HH       TYR  38  -3.566 -10.045  -2.597
  301    H    ILE  39           H        ILE  39   1.995 -12.265  -0.151
  302    HA   ILE  39           HA       ILE  39  -0.332 -13.558  -1.463
  303    HB   ILE  39           HB       ILE  39   2.031 -14.946  -0.182
  304   1HG1  ILE  39          2HG1      ILE  39   0.538 -15.401  -2.788
  305   2HG1  ILE  39          1HG1      ILE  39   2.056 -14.513  -2.639
  306   1HG2  ILE  39          1HG2      ILE  39   0.564 -17.038  -0.496
  307   2HG2  ILE  39          2HG2      ILE  39  -0.800 -15.924  -0.581
  308   3HG2  ILE  39          3HG2      ILE  39   0.186 -16.001   0.879
  309   1HD1  ILE  39          1HD1      ILE  39   3.270 -16.438  -2.046
  310   2HD1  ILE  39          2HD1      ILE  39   2.161 -17.035  -3.281
  311   3HD1  ILE  39          3HD1      ILE  39   1.817 -17.321  -1.576
  312    H    GLY  40           H        GLY  40  -2.036 -13.832   0.001
  313   1HA   GLY  40          2HA       GLY  40  -2.636 -14.349   2.407
  314   2HA   GLY  40          1HA       GLY  40  -1.447 -13.124   2.849
  315    H    ALA  41           H        ALA  41  -4.401 -13.233   3.346
  316    HA   ALA  41           HA       ALA  41  -5.868 -11.442   1.723
  317   1HB   ALA  41          1HB       ALA  41  -7.291 -11.261   3.677
  318   2HB   ALA  41          2HB       ALA  41  -5.958 -11.703   4.743
  319   3HB   ALA  41          3HB       ALA  41  -6.639 -12.900   3.643
  320    H    ARG  42           H        ARG  42  -4.024 -10.675   4.706
  321    HA   ARG  42           HA       ARG  42  -4.140  -7.786   4.023
  322   1HB   ARG  42          2HB       ARG  42  -3.699  -9.511   6.395
  323   2HB   ARG  42          1HB       ARG  42  -2.784  -8.002   6.377
  324   1HG   ARG  42          2HG       ARG  42  -4.767  -7.296   7.366
  325   2HG   ARG  42          1HG       ARG  42  -5.107  -6.963   5.668
  326   1HD   ARG  42          2HD       ARG  42  -5.802  -9.688   6.131
  327   2HD   ARG  42          1HD       ARG  42  -6.528  -8.723   7.433
  328    HE   ARG  42           HE       ARG  42  -6.881  -8.094   4.525
  329   1HH1  ARG  42          1HH2      ARG  42  -8.987  -9.506   6.272
  330   2HH1  ARG  42          2HH2      ARG  42 -10.040  -8.179   6.636
  331   1HH2  ARG  42          1HH1      ARG  42  -7.759  -5.758   5.658
  332   2HH2  ARG  42          2HH1      ARG  42  -9.345  -6.056   6.288
  333    H    CYS  43           H        CYS  43  -2.353  -9.969   2.689
  334    HA   CYS  43           HA       CYS  43  -0.174  -9.974   1.759
  335   1HB   CYS  43          2HB       CYS  43   0.280  -7.269   2.998
  336   2HB   CYS  43          1HB       CYS  43   0.743  -7.847   1.401
  337    H    GLU  44           H        GLU  44  -0.048 -11.542   3.792
  338    HA   GLU  44           HA       GLU  44   1.797 -10.455   5.869
  339   1HB   GLU  44          2HB       GLU  44  -0.399 -11.673   6.344
  340   2HB   GLU  44          1HB       GLU  44   0.399 -13.134   5.763
  341   1HG   GLU  44          2HG       GLU  44   2.286 -12.459   7.454
  342   2HG   GLU  44          1HG       GLU  44   1.013 -11.494   8.204
  343    H    ARG  45           H        ARG  45   1.526 -13.230   3.602
  344    HA   ARG  45           HA       ARG  45   4.448 -13.730   4.058
  345   1HB   ARG  45          2HB       ARG  45   3.960 -16.017   3.536
  346   2HB   ARG  45          1HB       ARG  45   2.666 -15.478   4.606
  347   1HG   ARG  45          2HG       ARG  45   1.201 -15.082   2.687
  348   2HG   ARG  45          1HG       ARG  45   2.499 -15.522   1.578
  349   1HD   ARG  45          2HD       ARG  45   1.657 -17.470   3.716
  350   2HD   ARG  45          1HD       ARG  45   0.734 -17.353   2.203
  351    HE   ARG  45           HE       ARG  45   3.495 -17.423   1.532
  352   1HH1  ARG  45          1HH2      ARG  45   1.344 -19.407   3.324
  353   2HH1  ARG  45          2HH2      ARG  45   1.894 -20.887   2.611
  354   1HH2  ARG  45          1HH1      ARG  45   4.086 -19.331   0.422
  355   2HH2  ARG  45          2HH1      ARG  45   3.446 -20.844   0.969
  356    H    VAL  46           H        VAL  46   5.822 -13.509   2.327
  357    HA   VAL  46           HA       VAL  46   4.687 -12.590  -0.250
  358    HB   VAL  46           HB       VAL  46   6.563 -11.449   0.968
  359   1HG1  VAL  46          1HG1      VAL  46   8.286 -12.660   1.759
  360   2HG1  VAL  46          2HG1      VAL  46   8.670 -13.213   0.128
  361   3HG1  VAL  46          3HG1      VAL  46   7.528 -14.119   1.119
  362   1HG2  VAL  46          1HG2      VAL  46   6.309 -11.168  -1.463
  363   2HG2  VAL  46          2HG2      VAL  46   7.255 -12.630  -1.741
  364   3HG2  VAL  46          3HG2      VAL  46   8.018 -11.209  -1.030
  365    H    ASP  47           H        ASP  47   5.442 -13.577  -2.284
  366    HA   ASP  47           HA       ASP  47   5.753 -16.526  -2.025
  367   1HB   ASP  47          2HB       ASP  47   4.047 -15.067  -3.463
  368   2HB   ASP  47          1HB       ASP  47   5.384 -15.069  -4.614
  369    H    LEU  48           H        LEU  48   8.120 -15.928  -1.330
  370    HA   LEU  48           HA       LEU  48   9.817 -16.070  -3.778
  371   1HB   LEU  48          2HB       LEU  48   9.400 -13.732  -2.371
  372   2HB   LEU  48          1HB       LEU  48  10.877 -14.353  -1.634
  373    HG   LEU  48           HG       LEU  48  11.057 -14.712  -4.472
  374   1HD1  LEU  48          1HD1      LEU  48  11.181 -11.926  -4.488
  375   2HD1  LEU  48          2HD1      LEU  48   9.682 -12.279  -3.627
  376   3HD1  LEU  48          3HD1      LEU  48   9.936 -12.913  -5.253
  377   1HD2  LEU  48          1HD2      LEU  48  12.726 -14.173  -2.405
  378   2HD2  LEU  48          2HD2      LEU  48  12.589 -12.562  -3.109
  379   3HD2  LEU  48          3HD2      LEU  48  13.169 -13.908  -4.090
  380    H    PHE  49           H        PHE  49  11.560 -17.462  -3.484
  381    HA   PHE  49           HA       PHE  49  11.668 -19.341  -1.399
  382   1HB   PHE  49          2HB       PHE  49  13.269 -18.435  -3.652
  383   2HB   PHE  49          1HB       PHE  49  14.297 -18.966  -2.320
  384    HD1  PHE  49           HD1      PHE  49  14.828 -21.230  -2.217
  385    HD2  PHE  49           HD2      PHE  49  11.132 -20.024  -4.046
  386    HE1  PHE  49           HE1      PHE  49  14.334 -23.594  -2.777
  387    HE2  PHE  49           HE2      PHE  49  10.639 -22.389  -4.607
  388    HZ   PHE  49           HZ       PHE  49  12.239 -24.174  -3.973
  389    H    TYR  50           H        TYR  50  13.616 -16.352  -1.738
  390    HA   TYR  50           HA       TYR  50  15.064 -16.600   0.707
  391   1HB   TYR  50          2HB       TYR  50  14.160 -14.231  -0.957
  392   2HB   TYR  50          1HB       TYR  50  15.325 -14.104   0.360
  393    HD1  TYR  50           HD1      TYR  50  14.905 -14.761  -3.116
  394    HD2  TYR  50           HD2      TYR  50  17.368 -15.735   0.266
  395    HE1  TYR  50           HE1      TYR  50  16.718 -15.489  -4.644
  396    HE2  TYR  50           HE2      TYR  50  19.180 -16.462  -1.261
  397    HH   TYR  50           HH       TYR  50  18.915 -17.346  -4.135
  Start of MODEL    3
    1   1H    ARG   1          H1        ARG   1  -0.291  13.338 -15.545
    2   2H    ARG   1          H2        ARG   1  -0.116  14.954 -15.051
    3   3H    ARG   1          H3        ARG   1  -0.008  13.698 -13.911
    4    HA   ARG   1           HA       ARG   1   1.929  12.936 -15.565
    5   1HB   ARG   1          2HB       ARG   1   1.058  15.450 -16.467
    6   2HB   ARG   1          1HB       ARG   1   2.571  15.776 -15.618
    7   1HG   ARG   1          2HG       ARG   1   3.745  14.928 -17.338
    8   2HG   ARG   1          1HG       ARG   1   2.895  13.391 -17.179
    9   1HD   ARG   1          2HD       ARG   1   1.517  13.842 -18.943
   10   2HD   ARG   1          1HD       ARG   1   1.300  15.533 -18.451
   11    HE   ARG   1           HE       ARG   1   3.308  16.108 -19.639
   12   1HH1  ARG   1          1HH1      ARG   1   4.170  13.094 -18.799
   13   2HH1  ARG   1          2HH1      ARG   1   4.647  12.543 -20.371
   14   1HH2  ARG   1          1HH2      ARG   1   3.260  15.253 -22.031
   15   2HH2  ARG   1          2HH2      ARG   1   4.132  13.766 -22.200
   16    H    LYS   2           H        LYS   2   1.071  15.372 -13.137
   17    HA   LYS   2           HA       LYS   2   3.545  14.621 -11.609
   18   1HB   LYS   2          2HB       LYS   2   2.414  17.130 -12.473
   19   2HB   LYS   2          1HB       LYS   2   2.460  17.086 -10.710
   20   1HG   LYS   2          2HG       LYS   2   4.810  16.671 -10.681
   21   2HG   LYS   2          1HG       LYS   2   4.837  16.304 -12.407
   22   1HD   LYS   2          2HD       LYS   2   4.613  18.546 -13.025
   23   2HD   LYS   2          1HD       LYS   2   3.899  19.004 -11.479
   24   1HE   LYS   2          2HE       LYS   2   6.185  18.380 -10.439
   25   2HE   LYS   2          1HE       LYS   2   6.802  18.439 -12.102
   26   1HZ   LYS   2          1HZ       LYS   2   6.947  20.619 -11.067
   27   2HZ   LYS   2          2HZ       LYS   2   5.281  20.597 -10.735
   28   3HZ   LYS   2          3HZ       LYS   2   5.828  20.645 -12.342
   29    H    GLY   3           H        GLY   3   3.021  13.396  -9.842
   30   1HA   GLY   3          2HA       GLY   3   0.334  13.809  -8.596
   31   2HA   GLY   3          1HA       GLY   3   1.225  12.287  -8.541
   32    H    HIS   4           H        HIS   4   0.337  13.427  -6.169
   33    HA   HIS   4           HA       HIS   4   2.788  13.625  -4.651
   34   1HB   HIS   4          2HB       HIS   4   1.761  15.988  -5.921
   35   2HB   HIS   4          1HB       HIS   4   1.608  16.176  -4.174
   36    HD1  HIS   4           HD1      HIS   4   4.046  16.345  -6.885
   37    HD2  HIS   4           HD2      HIS   4   4.190  15.660  -2.776
   38    HE1  HIS   4           HE1      HIS   4   6.457  16.686  -6.186
   39    H    PHE   5           H        PHE   5   0.793  11.940  -4.106
   40    HA   PHE   5           HA       PHE   5  -1.162  13.157  -2.248
   41   1HB   PHE   5          2HB       PHE   5  -0.628  10.266  -3.007
   42   2HB   PHE   5          1HB       PHE   5  -2.089  10.900  -2.247
   43    HD1  PHE   5           HD1      PHE   5  -3.454  12.654  -3.512
   44    HD2  PHE   5           HD2      PHE   5  -0.384  10.288  -5.362
   45    HE1  PHE   5           HE1      PHE   5  -4.396  13.179  -5.746
   46    HE2  PHE   5           HE2      PHE   5  -1.325  10.812  -7.597
   47    HZ   PHE   5           HZ       PHE   5  -3.332  12.258  -7.788
   48    H    SER   6           H        SER   6  -1.244  10.868  -0.462
   49    HA   SER   6           HA       SER   6   1.288  11.336   1.080
   50   1HB   SER   6          2HB       SER   6  -1.593  10.890   1.903
   51   2HB   SER   6          1HB       SER   6  -0.256  10.860   3.048
   52    HG   SER   6           HG       SER   6  -0.501  13.013   1.269
   53    H    ARG   7           H        ARG   7   2.523   9.512   1.286
   54    HA   ARG   7           HA       ARG   7   1.488   6.888   0.504
   55   1HB   ARG   7          2HB       ARG   7   4.028   8.237   1.061
   56   2HB   ARG   7          1HB       ARG   7   3.996   6.582   1.671
   57   1HG   ARG   7          2HG       ARG   7   4.391   5.870  -0.427
   58   2HG   ARG   7          1HG       ARG   7   2.793   6.470  -0.874
   59   1HD   ARG   7          2HD       ARG   7   4.085   7.717  -2.349
   60   2HD   ARG   7          1HD       ARG   7   4.141   8.804  -0.948
   61    HE   ARG   7           HE       ARG   7   6.197   6.739  -0.852
   62   1HH1  ARG   7          1HH2      ARG   7   5.486   9.338  -2.901
   63   2HH1  ARG   7          2HH2      ARG   7   7.018  10.122  -2.707
   64   1HH2  ARG   7          1HH1      ARG   7   8.109   7.959  -0.226
   65   2HH2  ARG   7          2HH1      ARG   7   8.503   9.342  -1.192
   66    H    CYS   8           H        CYS   8   0.203   5.799   1.956
   67    HA   CYS   8           HA       CYS   8  -0.212   6.200   4.655
   68   1HB   CYS   8          2HB       CYS   8  -0.459   4.036   2.713
   69   2HB   CYS   8          1HB       CYS   8  -0.201   3.421   4.346
   70    HA   PRO   9           HA       PRO   9   3.868   5.355   6.287
   71   1HB   PRO   9          2HB       PRO   9   3.233   5.876   8.899
   72   2HB   PRO   9          1HB       PRO   9   3.537   7.154   7.705
   73   1HG   PRO   9          2HG       PRO   9   0.948   6.098   8.728
   74   2HG   PRO   9          1HG       PRO   9   1.418   7.764   8.356
   75   1HD   PRO   9          2HD       PRO   9  -0.109   6.241   6.696
   76   2HD   PRO   9          1HD       PRO   9   0.966   7.534   6.121
   77    H    LYS  10           H        LYS  10   4.711   3.804   8.001
   78    HA   LYS  10           HA       LYS  10   3.660   1.204   7.768
   79   1HB   LYS  10          2HB       LYS  10   5.348   2.572   9.879
   80   2HB   LYS  10          1HB       LYS  10   5.080   0.828   9.858
   81   1HG   LYS  10          2HG       LYS  10   5.994   2.155   7.335
   82   2HG   LYS  10          1HG       LYS  10   7.173   1.892   8.620
   83   1HD   LYS  10          2HD       LYS  10   5.360  -0.348   7.759
   84   2HD   LYS  10          1HD       LYS  10   6.819   0.014   6.836
   85   1HE   LYS  10          2HE       LYS  10   8.234  -0.640   8.555
   86   2HE   LYS  10          1HE       LYS  10   7.059  -0.224   9.817
   87   1HZ   LYS  10          1HZ       LYS  10   7.471  -2.723   8.754
   88   2HZ   LYS  10          2HZ       LYS  10   6.034  -2.192   8.020
   89   3HZ   LYS  10          3HZ       LYS  10   6.158  -2.243   9.714
   90    H    GLN  11           H        GLN  11   3.107   3.603  10.358
   91    HA   GLN  11           HA       GLN  11   1.540   2.003  12.098
   92   1HB   GLN  11          2HB       GLN  11   2.114   4.828  11.555
   93   2HB   GLN  11          1HB       GLN  11   0.507   4.579  12.237
   94   1HG   GLN  11          2HG       GLN  11   2.946   3.261  13.432
   95   2HG   GLN  11          1HG       GLN  11   2.454   4.889  13.901
   96   1HE2  GLN  11          1HE2      GLN  11   1.730   4.345  16.043
   97   2HE2  GLN  11          2HE2      GLN  11   0.391   3.339  16.325
   98    H    TYR  12           H        TYR  12   0.665   3.716   9.129
   99    HA   TYR  12           HA       TYR  12  -2.210   3.106   9.491
  100   1HB   TYR  12          2HB       TYR  12  -0.484   4.883   7.924
  101   2HB   TYR  12          1HB       TYR  12  -1.782   4.179   6.959
  102    HD1  TYR  12           HD1      TYR  12  -0.982   6.921   8.926
  103    HD2  TYR  12           HD2      TYR  12  -4.120   4.038   8.383
  104    HE1  TYR  12           HE1      TYR  12  -2.602   8.491   9.954
  105    HE2  TYR  12           HE2      TYR  12  -5.740   5.609   9.411
  106    HH   TYR  12           HH       TYR  12  -4.738   8.469  11.051
  107    H    LYS  13           H        LYS  13   0.560   1.636   8.141
  108    HA   LYS  13           HA       LYS  13  -0.907   0.155   6.044
  109   1HB   LYS  13          2HB       LYS  13   1.823   0.845   6.763
  110   2HB   LYS  13          1HB       LYS  13   1.684  -0.877   6.410
  111   1HG   LYS  13          2HG       LYS  13   1.060  -0.521   4.212
  112   2HG   LYS  13          1HG       LYS  13   0.332   1.047   4.564
  113   1HD   LYS  13          2HD       LYS  13   2.259   1.749   3.495
  114   2HD   LYS  13          1HD       LYS  13   2.847   1.687   5.158
  115   1HE   LYS  13          2HE       LYS  13   3.283  -0.895   4.407
  116   2HE   LYS  13          1HE       LYS  13   3.527  -0.060   2.860
  117   1HZ   LYS  13          1HZ       LYS  13   5.022   1.474   3.917
  118   2HZ   LYS  13          2HZ       LYS  13   5.554  -0.106   4.243
  119   3HZ   LYS  13          3HZ       LYS  13   4.737   0.784   5.439
  120    H    HIS  14           H        HIS  14  -1.969  -0.377   8.620
  121    HA   HIS  14           HA       HIS  14  -0.745  -2.866   9.625
  122   1HB   HIS  14          2HB       HIS  14  -2.950  -0.981  10.351
  123   2HB   HIS  14          1HB       HIS  14  -3.062  -2.631  10.965
  124    HD1  HIS  14           HD1      HIS  14   0.084  -0.542  10.504
  125    HD2  HIS  14           HD2      HIS  14  -2.124  -2.314  13.564
  126    HE1  HIS  14           HE1      HIS  14   1.431  -0.240  12.628
  127    H    TYR  15           H        TYR  15  -3.103  -1.897   7.321
  128    HA   TYR  15           HA       TYR  15  -4.495  -4.512   7.326
  129   1HB   TYR  15          2HB       TYR  15  -5.754  -3.354   5.441
  130   2HB   TYR  15          1HB       TYR  15  -5.833  -2.528   6.996
  131    HD1  TYR  15           HD1      TYR  15  -5.401  -0.242   7.034
  132    HD2  TYR  15           HD2      TYR  15  -3.631  -2.659   3.955
  133    HE1  TYR  15           HE1      TYR  15  -4.414   1.788   6.008
  134    HE2  TYR  15           HE2      TYR  15  -2.642  -0.629   2.930
  135    HH   TYR  15           HH       TYR  15  -1.961   1.792   3.937
  136    H    CYS  16           H        CYS  16  -1.577  -3.417   6.221
  137    HA   CYS  16           HA       CYS  16  -1.395  -5.557   4.202
  138   1HB   CYS  16          2HB       CYS  16  -1.601  -2.638   3.598
  139   2HB   CYS  16          1HB       CYS  16  -0.463  -3.583   2.638
  140    H    ILE  17           H        ILE  17   0.355  -6.405   5.414
  141    HA   ILE  17           HA       ILE  17   2.495  -4.875   6.540
  142    HB   ILE  17           HB       ILE  17   2.134  -7.739   5.645
  143   1HG1  ILE  17          2HG1      ILE  17   2.481  -6.599   8.426
  144   2HG1  ILE  17          1HG1      ILE  17   0.901  -6.718   7.652
  145   1HG2  ILE  17          1HG2      ILE  17   4.483  -7.475   5.486
  146   2HG2  ILE  17          2HG2      ILE  17   4.226  -8.112   7.111
  147   3HG2  ILE  17          3HG2      ILE  17   4.539  -6.391   6.877
  148   1HD1  ILE  17          1HD1      ILE  17   2.384  -9.204   7.391
  149   2HD1  ILE  17          2HD1      ILE  17   0.778  -8.930   8.067
  150   3HD1  ILE  17          3HD1      ILE  17   2.207  -8.742   9.084
  151    H    LYS  18           H        LYS  18   2.856  -7.114   3.764
  152    HA   LYS  18           HA       LYS  18   5.060  -5.420   2.732
  153   1HB   LYS  18          2HB       LYS  18   5.485  -7.369   1.321
  154   2HB   LYS  18          1HB       LYS  18   5.199  -7.914   2.975
  155   1HG   LYS  18          2HG       LYS  18   2.683  -8.031   2.144
  156   2HG   LYS  18          1HG       LYS  18   3.447  -8.179   0.562
  157   1HD   LYS  18          2HD       LYS  18   3.915  -9.954   2.974
  158   2HD   LYS  18          1HD       LYS  18   3.117 -10.408   1.470
  159   1HE   LYS  18          2HE       LYS  18   5.244 -11.203   1.000
  160   2HE   LYS  18          1HE       LYS  18   5.457  -9.530   0.449
  161   1HZ   LYS  18          1HZ       LYS  18   5.752  -9.841   3.292
  162   2HZ   LYS  18          2HZ       LYS  18   6.759  -9.045   2.181
  163   3HZ   LYS  18          3HZ       LYS  18   6.906 -10.721   2.415
  164    H    GLY  19           H        GLY  19   3.072  -3.798   2.341
  165   1HA   GLY  19          2HA       GLY  19   2.592  -3.837  -0.544
  166   2HA   GLY  19          1HA       GLY  19   1.125  -4.019   0.420
  167    H    ARG  20           H        ARG  20   1.835  -1.751  -1.295
  168    HA   ARG  20           HA       ARG  20   2.126   0.404   0.771
  169   1HB   ARG  20          2HB       ARG  20   2.812   0.199  -2.171
  170   2HB   ARG  20          1HB       ARG  20   2.810   1.739  -1.309
  171   1HG   ARG  20          2HG       ARG  20   4.636   1.171  -0.002
  172   2HG   ARG  20          1HG       ARG  20   4.300  -0.558  -0.101
  173   1HD   ARG  20          2HD       ARG  20   4.902  -0.384  -2.594
  174   2HD   ARG  20          1HD       ARG  20   5.572   1.212  -2.201
  175    HE   ARG  20           HE       ARG  20   6.911  -0.044  -0.394
  176   1HH1  ARG  20          1HH1      ARG  20   6.765  -0.768  -3.648
  177   2HH1  ARG  20          2HH1      ARG  20   7.528  -2.319  -3.528
  178   1HH2  ARG  20          1HH2      ARG  20   7.464  -2.376  -0.061
  179   2HH2  ARG  20          2HH2      ARG  20   7.924  -3.229  -1.498
  180    H    CYS  21           H        CYS  21   0.502   1.966   0.885
  181    HA   CYS  21           HA       CYS  21  -1.735   1.754  -1.103
  182   1HB   CYS  21          2HB       CYS  21  -2.419   0.633   0.904
  183   2HB   CYS  21          1HB       CYS  21  -1.752   1.912   1.921
  184    H    ARG  22           H        ARG  22  -2.209   3.715  -2.013
  185    HA   ARG  22           HA       ARG  22  -0.985   6.170  -0.884
  186   1HB   ARG  22          2HB       ARG  22  -2.588   5.692  -3.418
  187   2HB   ARG  22          1HB       ARG  22  -1.572   7.090  -3.069
  188   1HG   ARG  22          2HG       ARG  22  -0.131   4.571  -2.739
  189   2HG   ARG  22          1HG       ARG  22  -0.756   4.775  -4.376
  190   1HD   ARG  22          2HD       ARG  22   0.250   7.114  -4.358
  191   2HD   ARG  22          1HD       ARG  22   1.075   6.656  -2.855
  192    HE   ARG  22           HE       ARG  22   1.867   4.605  -4.291
  193   1HH1  ARG  22          1HH1      ARG  22   0.601   5.998  -6.740
  194   2HH1  ARG  22          2HH1      ARG  22   2.013   6.689  -7.470
  195   1HH2  ARG  22          1HH2      ARG  22   3.996   6.270  -4.657
  196   2HH2  ARG  22          2HH2      ARG  22   3.934   6.842  -6.291
  197    H    PHE  23           H        PHE  23  -2.200   7.441   0.464
  198    HA   PHE  23           HA       PHE  23  -5.174   7.150   0.412
  199   1HB   PHE  23          2HB       PHE  23  -3.586   6.837   2.464
  200   2HB   PHE  23          1HB       PHE  23  -3.528   8.600   2.480
  201    HD1  PHE  23           HD1      PHE  23  -6.108   9.559   1.867
  202    HD2  PHE  23           HD2      PHE  23  -5.074   6.004   4.046
  203    HE1  PHE  23           HE1      PHE  23  -8.306   9.621   3.012
  204    HE2  PHE  23           HE2      PHE  23  -7.273   6.066   5.191
  205    HZ   PHE  23           HZ       PHE  23  -8.889   7.875   4.675
  206    H    VAL  24           H        VAL  24  -6.062   8.674  -0.962
  207    HA   VAL  24           HA       VAL  24  -4.792  11.276  -1.415
  208    HB   VAL  24           HB       VAL  24  -7.555  10.295  -2.186
  209   1HG1  VAL  24          1HG1      VAL  24  -5.859  11.969  -3.961
  210   2HG1  VAL  24          2HG1      VAL  24  -6.484  12.757  -2.512
  211   3HG1  VAL  24          3HG1      VAL  24  -7.598  12.037  -3.674
  212   1HG2  VAL  24          1HG2      VAL  24  -6.619   8.789  -3.581
  213   2HG2  VAL  24          2HG2      VAL  24  -5.062   9.116  -2.819
  214   3HG2  VAL  24          3HG2      VAL  24  -5.551  10.021  -4.252
  215    H    VAL  25           H        VAL  25  -5.044  12.949  -0.007
  216    HA   VAL  25           HA       VAL  25  -7.081  12.926   2.087
  217    HB   VAL  25           HB       VAL  25  -5.011  14.945   1.163
  218   1HG1  VAL  25          1HG1      VAL  25  -5.730  16.380   2.757
  219   2HG1  VAL  25          2HG1      VAL  25  -5.920  15.087   3.941
  220   3HG1  VAL  25          3HG1      VAL  25  -7.213  15.425   2.790
  221   1HG2  VAL  25          1HG2      VAL  25  -4.101  14.049   3.511
  222   2HG2  VAL  25          2HG2      VAL  25  -3.748  13.200   2.008
  223   3HG2  VAL  25          3HG2      VAL  25  -5.046  12.632   3.059
  224    H    ALA  26           H        ALA  26  -6.308  15.422  -0.384
  225    HA   ALA  26           HA       ALA  26  -8.560  17.015  -0.238
  226   1HB   ALA  26          1HB       ALA  26  -7.201  17.780  -1.902
  227   2HB   ALA  26          2HB       ALA  26  -8.163  16.750  -2.962
  228   3HB   ALA  26          3HB       ALA  26  -6.639  16.157  -2.301
  229    H    GLU  27           H        GLU  27  -8.282  13.929  -1.991
  230    HA   GLU  27           HA       GLU  27 -11.277  13.826  -2.157
  231   1HB   GLU  27          2HB       GLU  27  -9.046  13.261  -4.031
  232   2HB   GLU  27          1HB       GLU  27 -10.352  12.075  -4.042
  233   1HG   GLU  27          2HG       GLU  27 -11.997  13.819  -4.462
  234   2HG   GLU  27          1HG       GLU  27 -10.760  15.067  -4.311
  235    H    GLN  28           H        GLN  28 -11.367  12.773  -0.058
  236    HA   GLN  28           HA       GLN  28  -9.983  10.765   1.116
  237   1HB   GLN  28          2HB       GLN  28 -12.692  11.686   1.031
  238   2HB   GLN  28          1HB       GLN  28 -12.713   9.925   1.126
  239   1HG   GLN  28          2HG       GLN  28 -10.730  10.568   2.923
  240   2HG   GLN  28          1HG       GLN  28 -11.871  11.896   3.140
  241   1HE2  GLN  28          1HE2      GLN  28 -14.114  11.321   3.764
  242   2HE2  GLN  28          2HE2      GLN  28 -14.442   9.823   4.493
  243    H    THR  29           H        THR  29  -8.844   9.451  -0.438
  244    HA   THR  29           HA       THR  29 -10.512   7.221  -1.524
  245    HB   THR  29           HB       THR  29  -8.544   8.966  -3.037
  246    HG1  THR  29           1HG      THR  29 -10.836   9.551  -2.746
  247   1HG2  THR  29          1HG2      THR  29  -8.657   7.466  -4.860
  248   2HG2  THR  29          2HG2      THR  29 -10.023   6.592  -4.164
  249   3HG2  THR  29          3HG2      THR  29  -8.415   6.423  -3.458
  250    HA   PRO  30           HA       PRO  30  -6.702   5.712   0.542
  251   1HB   PRO  30          2HB       PRO  30  -7.932   3.663   1.867
  252   2HB   PRO  30          1HB       PRO  30  -7.869   5.319   2.502
  253   1HG   PRO  30          2HG       PRO  30 -10.100   3.893   1.162
  254   2HG   PRO  30          1HG       PRO  30 -10.142   5.074   2.478
  255   1HD   PRO  30          2HD       PRO  30 -10.727   5.644  -0.151
  256   2HD   PRO  30          1HD       PRO  30 -10.200   6.844   1.049
  257    H    SER  31           H        SER  31  -6.061   5.011  -1.653
  258    HA   SER  31           HA       SER  31  -7.163   2.448  -2.645
  259   1HB   SER  31          2HB       SER  31  -6.058   3.045  -4.643
  260   2HB   SER  31          1HB       SER  31  -6.502   4.607  -3.960
  261    HG   SER  31           HG       SER  31  -4.410   4.776  -3.128
  262    H    CYS  32           H        CYS  32  -6.343   0.673  -1.560
  263    HA   CYS  32           HA       CYS  32  -3.487   0.686  -0.716
  264   1HB   CYS  32          2HB       CYS  32  -4.199  -1.225   0.650
  265   2HB   CYS  32          1HB       CYS  32  -5.330   0.111   0.865
  266    H    VAL  33           H        VAL  33  -1.999  -0.779  -1.565
  267    HA   VAL  33           HA       VAL  33  -2.963  -2.786  -3.557
  268    HB   VAL  33           HB       VAL  33  -0.871  -0.619  -3.928
  269   1HG1  VAL  33          1HG1      VAL  33  -0.233  -2.927  -4.823
  270   2HG1  VAL  33          2HG1      VAL  33  -0.286  -1.628  -6.015
  271   3HG1  VAL  33          3HG1      VAL  33  -1.615  -2.781  -5.909
  272   1HG2  VAL  33          1HG2      VAL  33  -3.590  -1.221  -5.075
  273   2HG2  VAL  33          2HG2      VAL  33  -2.416  -0.305  -6.019
  274   3HG2  VAL  33          3HG2      VAL  33  -2.961   0.308  -4.459
  275    H    CYS  34           H        CYS  34  -2.101  -4.720  -2.920
  276    HA   CYS  34           HA       CYS  34   0.249  -4.795  -1.135
  277   1HB   CYS  34          2HB       CYS  34  -1.336  -7.083  -2.327
  278   2HB   CYS  34          1HB       CYS  34  -0.414  -7.079  -0.824
  279    H    ASP  35           H        ASP  35   2.160  -6.079  -1.661
  280    HA   ASP  35           HA       ASP  35   3.375  -5.634  -4.136
  281   1HB   ASP  35          2HB       ASP  35   3.747  -7.267  -1.762
  282   2HB   ASP  35          1HB       ASP  35   4.323  -8.116  -3.198
  283    H    GLU  36           H        GLU  36   2.802  -6.339  -6.158
  284    HA   GLU  36           HA       GLU  36   0.751  -8.126  -6.809
  285   1HB   GLU  36          2HB       GLU  36   1.888  -6.580  -8.358
  286   2HB   GLU  36          1HB       GLU  36   3.349  -7.564  -8.275
  287   1HG   GLU  36          2HG       GLU  36   1.982  -9.513  -9.120
  288   2HG   GLU  36          1HG       GLU  36   0.657  -8.382  -9.394
  289    H    GLY  37           H        GLY  37   4.224  -8.862  -6.392
  290   1HA   GLY  37          2HA       GLY  37   3.711 -11.738  -6.791
  291   2HA   GLY  37          1HA       GLY  37   5.286 -10.997  -6.500
  292    H    TYR  38           H        TYR  38   2.346 -10.571  -4.556
  293    HA   TYR  38           HA       TYR  38   3.846 -11.750  -2.247
  294   1HB   TYR  38          2HB       TYR  38   3.024 -10.011  -0.976
  295   2HB   TYR  38          1HB       TYR  38   2.967  -9.224  -2.547
  296    HD1  TYR  38           HD1      TYR  38   1.173  -9.358   0.277
  297    HD2  TYR  38           HD2      TYR  38   0.650 -10.335  -3.873
  298    HE1  TYR  38           HE1      TYR  38  -1.279  -9.077   0.517
  299    HE2  TYR  38           HE2      TYR  38  -1.800 -10.053  -3.632
  300    HH   TYR  38           HH       TYR  38  -3.226  -8.935  -0.577
  301    H    ILE  39           H        ILE  39   2.107 -12.477  -0.482
  302    HA   ILE  39           HA       ILE  39  -0.262 -13.769  -1.722
  303    HB   ILE  39           HB       ILE  39   1.949 -15.274  -0.287
  304   1HG1  ILE  39          2HG1      ILE  39   1.207 -15.056  -3.219
  305   2HG1  ILE  39          1HG1      ILE  39   2.741 -14.608  -2.472
  306   1HG2  ILE  39          1HG2      ILE  39  -0.538 -16.046  -0.184
  307   2HG2  ILE  39          2HG2      ILE  39   0.688 -17.227  -0.648
  308   3HG2  ILE  39          3HG2      ILE  39  -0.313 -16.462  -1.883
  309   1HD1  ILE  39          1HD1      ILE  39   3.483 -16.694  -2.869
  310   2HD1  ILE  39          2HD1      ILE  39   1.892 -17.190  -3.448
  311   3HD1  ILE  39          3HD1      ILE  39   2.276 -17.292  -1.730
  312    H    GLY  40           H        GLY  40  -1.747 -14.609  -0.059
  313   1HA   GLY  40          2HA       GLY  40  -2.320 -14.924   2.305
  314   2HA   GLY  40          1HA       GLY  40  -1.144 -13.674   2.710
  315    H    ALA  41           H        ALA  41  -3.670 -13.402   3.735
  316    HA   ALA  41           HA       ALA  41  -5.275 -11.671   1.964
  317   1HB   ALA  41          1HB       ALA  41  -5.481 -12.893   4.700
  318   2HB   ALA  41          2HB       ALA  41  -6.585 -13.038   3.331
  319   3HB   ALA  41          3HB       ALA  41  -6.549 -11.552   4.281
  320    H    ARG  42           H        ARG  42  -3.408 -11.348   4.999
  321    HA   ARG  42           HA       ARG  42  -3.741  -8.405   4.937
  322   1HB   ARG  42          2HB       ARG  42  -3.377 -10.449   6.872
  323   2HB   ARG  42          1HB       ARG  42  -1.949  -9.416   6.958
  324   1HG   ARG  42          2HG       ARG  42  -4.027  -7.597   6.702
  325   2HG   ARG  42          1HG       ARG  42  -4.709  -8.841   7.750
  326   1HD   ARG  42          2HD       ARG  42  -1.993  -8.304   8.566
  327   2HD   ARG  42          1HD       ARG  42  -2.912  -6.787   8.506
  328    HE   ARG  42           HE       ARG  42  -4.636  -8.659   9.679
  329   1HH1  ARG  42          1HH2      ARG  42  -3.235  -6.101  10.846
  330   2HH1  ARG  42          2HH2      ARG  42  -2.604  -6.768  12.315
  331   1HH2  ARG  42          1HH1      ARG  42  -3.088 -10.060  11.341
  332   2HH2  ARG  42          2HH1      ARG  42  -2.521  -9.009  12.595
  333    H    CYS  43           H        CYS  43  -1.933 -10.261   3.102
  334    HA   CYS  43           HA       CYS  43   0.072  -9.850   1.910
  335   1HB   CYS  43          2HB       CYS  43   0.390  -7.387   3.633
  336   2HB   CYS  43          1HB       CYS  43   0.884  -7.622   1.960
  337    H    GLU  44           H        GLU  44   0.285 -11.659   3.968
  338    HA   GLU  44           HA       GLU  44   2.680 -10.839   5.562
  339   1HB   GLU  44          2HB       GLU  44   0.618 -13.049   5.795
  340   2HB   GLU  44          1HB       GLU  44   2.035 -12.944   6.840
  341   1HG   GLU  44          2HG       GLU  44   1.278 -11.031   7.910
  342   2HG   GLU  44          1HG       GLU  44   0.306 -10.518   6.530
  343    H    ARG  45           H        ARG  45   1.502 -13.280   3.264
  344    HA   ARG  45           HA       ARG  45   4.038 -14.774   3.326
  345   1HB   ARG  45          2HB       ARG  45   1.392 -14.919   1.892
  346   2HB   ARG  45          1HB       ARG  45   2.743 -15.919   1.357
  347   1HG   ARG  45          2HG       ARG  45   2.859 -16.369   4.027
  348   2HG   ARG  45          1HG       ARG  45   1.126 -16.100   3.836
  349   1HD   ARG  45          2HD       ARG  45   1.694 -18.502   3.540
  350   2HD   ARG  45          1HD       ARG  45   1.077 -17.811   2.027
  351    HE   ARG  45           HE       ARG  45   3.959 -17.516   2.265
  352   1HH1  ARG  45          1HH1      ARG  45   1.602 -19.970   1.886
  353   2HH1  ARG  45          2HH1      ARG  45   2.439 -20.778   0.603
  354   1HH2  ARG  45          1HH2      ARG  45   4.963 -18.408   0.403
  355   2HH2  ARG  45          2HH2      ARG  45   4.343 -19.894  -0.237
  356    H    VAL  46           H        VAL  46   5.325 -15.072   1.327
  357    HA   VAL  46           HA       VAL  46   5.116 -12.788  -0.603
  358    HB   VAL  46           HB       VAL  46   6.799 -12.243   1.064
  359   1HG1  VAL  46          1HG1      VAL  46   8.722 -13.804   1.434
  360   2HG1  VAL  46          2HG1      VAL  46   7.887 -15.008   0.452
  361   3HG1  VAL  46          3HG1      VAL  46   7.181 -14.469   1.976
  362   1HG2  VAL  46          1HG2      VAL  46   7.423 -11.659  -1.210
  363   2HG2  VAL  46          2HG2      VAL  46   8.000 -13.298  -1.516
  364   3HG2  VAL  46          3HG2      VAL  46   8.862 -12.258  -0.382
  365    H    ASP  47           H        ASP  47   5.807 -13.311  -2.731
  366    HA   ASP  47           HA       ASP  47   6.063 -16.232  -3.279
  367   1HB   ASP  47          2HB       ASP  47   4.296 -14.706  -4.313
  368   2HB   ASP  47          1HB       ASP  47   5.611 -13.930  -5.197
  369    H    LEU  48           H        LEU  48   8.402 -15.064  -2.236
  370    HA   LEU  48           HA       LEU  48  10.220 -15.301  -4.578
  371   1HB   LEU  48          2HB       LEU  48   9.463 -12.862  -3.232
  372   2HB   LEU  48          1HB       LEU  48  11.185 -13.161  -2.986
  373    HG   LEU  48           HG       LEU  48  10.756 -13.795  -5.672
  374   1HD1  LEU  48          1HD1      LEU  48   9.570 -11.914  -6.616
  375   2HD1  LEU  48          2HD1      LEU  48   9.396 -11.164  -5.030
  376   3HD1  LEU  48          3HD1      LEU  48   8.521 -12.649  -5.403
  377   1HD2  LEU  48          1HD2      LEU  48  12.666 -12.573  -4.505
  378   2HD2  LEU  48          2HD2      LEU  48  11.680 -11.114  -4.604
  379   3HD2  LEU  48          3HD2      LEU  48  12.206 -11.925  -6.080
  380    H    PHE  49           H        PHE  49  12.612 -15.094  -3.589
  381    HA   PHE  49           HA       PHE  49  12.800 -17.149  -1.504
  382   1HB   PHE  49          2HB       PHE  49  14.803 -15.500  -3.078
  383   2HB   PHE  49          1HB       PHE  49  15.257 -16.798  -1.973
  384    HD1  PHE  49           HD1      PHE  49  14.141 -15.982  -5.295
  385    HD2  PHE  49           HD2      PHE  49  14.269 -19.132  -2.377
  386    HE1  PHE  49           HE1      PHE  49  13.726 -17.652  -7.080
  387    HE2  PHE  49           HE2      PHE  49  13.852 -20.801  -4.162
  388    HZ   PHE  49           HZ       PHE  49  13.581 -20.062  -6.514
  389    H    TYR  50           H        TYR  50  12.175 -13.927  -1.311
  390    HA   TYR  50           HA       TYR  50  14.069 -13.145   0.779
  391   1HB   TYR  50          2HB       TYR  50  11.504 -11.978  -0.342
  392   2HB   TYR  50          1HB       TYR  50  12.514 -11.151   0.843
  393    HD1  TYR  50           HD1      TYR  50  11.779 -10.895  -2.402
  394    HD2  TYR  50           HD2      TYR  50  15.227 -11.740   0.015
  395    HE1  TYR  50           HE1      TYR  50  13.254 -10.082  -4.223
  396    HE2  TYR  50           HE2      TYR  50  16.703 -10.928  -1.807
  397    HH   TYR  50           HH       TYR  50  16.208  -9.127  -3.905
  Start of MODEL    4
    1   1H    ARG   1          H1        ARG   1  -2.586  19.224 -12.490
    2   2H    ARG   1          H2        ARG   1  -2.536  18.569 -14.056
    3   3H    ARG   1          H3        ARG   1  -1.237  19.498 -13.481
    4    HA   ARG   1           HA       ARG   1  -0.866  17.015 -13.480
    5   1HB   ARG   1          2HB       ARG   1   0.182  18.986 -12.098
    6   2HB   ARG   1          1HB       ARG   1  -0.706  18.275 -10.750
    7   1HG   ARG   1          2HG       ARG   1   1.254  17.074 -10.562
    8   2HG   ARG   1          1HG       ARG   1   0.400  16.033 -11.701
    9   1HD   ARG   1          2HD       ARG   1   2.331  16.298 -12.932
   10   2HD   ARG   1          1HD       ARG   1   1.545  17.812 -13.427
   11    HE   ARG   1           HE       ARG   1   2.886  18.201 -10.918
   12   1HH1  ARG   1          1HH2      ARG   1   4.989  16.742 -12.511
   13   2HH1  ARG   1          2HH2      ARG   1   5.801  18.049 -13.306
   14   1HH2  ARG   1          1HH1      ARG   1   3.268  20.339 -12.707
   15   2HH2  ARG   1          2HH1      ARG   1   4.827  20.085 -13.416
   16    H    LYS   2           H        LYS   2  -2.799  18.188 -10.690
   17    HA   LYS   2           HA       LYS   2  -4.267  16.975  -9.271
   18   1HB   LYS   2          2HB       LYS   2  -5.261  17.317 -11.720
   19   2HB   LYS   2          1HB       LYS   2  -5.159  15.556 -11.753
   20   1HG   LYS   2          2HG       LYS   2  -6.415  15.508  -9.575
   21   2HG   LYS   2          1HG       LYS   2  -6.643  17.251  -9.727
   22   1HD   LYS   2          2HD       LYS   2  -7.379  16.105 -12.219
   23   2HD   LYS   2          1HD       LYS   2  -8.152  15.139 -10.961
   24   1HE   LYS   2          2HE       LYS   2  -9.733  16.780 -10.904
   25   2HE   LYS   2          1HE       LYS   2  -8.508  17.765 -10.079
   26   1HZ   LYS   2          1HZ       LYS   2  -9.515  18.595 -12.309
   27   2HZ   LYS   2          2HZ       LYS   2  -8.424  17.495 -13.007
   28   3HZ   LYS   2          3HZ       LYS   2  -7.850  18.759 -12.028
   29    H    GLY   3           H        GLY   3  -1.963  15.762  -8.848
   30   1HA   GLY   3          2HA       GLY   3  -2.656  12.922  -8.681
   31   2HA   GLY   3          1HA       GLY   3  -1.270  13.259  -9.719
   32    H    HIS   4           H        HIS   4   0.174  12.180  -8.256
   33    HA   HIS   4           HA       HIS   4   1.639  12.063  -6.402
   34   1HB   HIS   4          2HB       HIS   4   2.168  14.255  -7.510
   35   2HB   HIS   4          1HB       HIS   4   1.046  15.039  -6.398
   36    HD1  HIS   4           HD1      HIS   4   4.474  14.749  -6.700
   37    HD2  HIS   4           HD2      HIS   4   1.900  13.861  -3.544
   38    HE1  HIS   4           HE1      HIS   4   5.890  14.748  -4.600
   39    H    PHE   5           H        PHE   5   0.085  10.905  -5.035
   40    HA   PHE   5           HA       PHE   5  -1.582  12.543  -3.201
   41   1HB   PHE   5          2HB       PHE   5  -1.257   9.538  -3.444
   42   2HB   PHE   5          1HB       PHE   5  -2.587  10.400  -2.671
   43    HD1  PHE   5           HD1      PHE   5  -3.768  12.217  -4.243
   44    HD2  PHE   5           HD2      PHE   5  -1.567   8.800  -5.632
   45    HE1  PHE   5           HE1      PHE   5  -4.958  12.334  -6.415
   46    HE2  PHE   5           HE2      PHE   5  -2.757   8.916  -7.804
   47    HZ   PHE   5           HZ       PHE   5  -4.453  10.684  -8.196
   48    H    SER   6           H        SER   6  -1.362  10.380  -1.139
   49    HA   SER   6           HA       SER   6   1.381  10.993  -0.085
   50   1HB   SER   6          2HB       SER   6  -1.347  11.457   0.993
   51   2HB   SER   6          1HB       SER   6  -0.166  10.840   2.146
   52    HG   SER   6           HG       SER   6  -0.242  13.176   1.926
   53    H    ARG   7           H        ARG   7   2.448   9.205   0.708
   54    HA   ARG   7           HA       ARG   7   1.110   6.579   0.531
   55   1HB   ARG   7          2HB       ARG   7   3.716   7.682   0.222
   56   2HB   ARG   7          1HB       ARG   7   3.804   6.517   1.545
   57   1HG   ARG   7          2HG       ARG   7   3.967   4.944  -0.076
   58   2HG   ARG   7          1HG       ARG   7   2.239   5.201  -0.316
   59   1HD   ARG   7          2HD       ARG   7   3.482   5.406  -2.460
   60   2HD   ARG   7          1HD       ARG   7   2.748   6.957  -2.005
   61    HE   ARG   7           HE       ARG   7   5.468   6.540  -0.970
   62   1HH1  ARG   7          1HH2      ARG   7   3.703   9.018  -1.935
   63   2HH1  ARG   7          2HH2      ARG   7   4.748   9.607  -3.185
   64   1HH2  ARG   7          1HH1      ARG   7   6.719   6.756  -3.250
   65   2HH2  ARG   7          2HH1      ARG   7   6.454   8.328  -3.929
   66    H    CYS   8           H        CYS   8   0.828   5.183   2.328
   67    HA   CYS   8           HA       CYS   8   0.563   6.513   4.937
   68   1HB   CYS   8          2HB       CYS   8  -0.571   4.336   3.498
   69   2HB   CYS   8          1HB       CYS   8   0.131   3.668   4.971
   70    HA   PRO   9           HA       PRO   9   4.484   5.152   6.429
   71   1HB   PRO   9          2HB       PRO   9   3.997   5.390   9.111
   72   2HB   PRO   9          1HB       PRO   9   4.267   6.788   8.051
   73   1HG   PRO   9          2HG       PRO   9   1.719   5.684   9.114
   74   2HG   PRO   9          1HG       PRO   9   2.204   7.367   8.862
   75   1HD   PRO   9          2HD       PRO   9   0.549   5.991   7.174
   76   2HD   PRO   9          1HD       PRO   9   1.567   7.359   6.668
   77    H    LYS  10           H        LYS  10   5.393   3.390   7.840
   78    HA   LYS  10           HA       LYS  10   4.071   0.884   7.457
   79   1HB   LYS  10          2HB       LYS  10   6.564   1.885   8.248
   80   2HB   LYS  10          1HB       LYS  10   6.006   0.952   9.637
   81   1HG   LYS  10          2HG       LYS  10   5.434  -0.908   7.967
   82   2HG   LYS  10          1HG       LYS  10   6.381   0.004   6.791
   83   1HD   LYS  10          2HD       LYS  10   8.367  -0.163   8.139
   84   2HD   LYS  10          1HD       LYS  10   7.456  -0.826   9.497
   85   1HE   LYS  10          2HE       LYS  10   8.180  -2.834   8.634
   86   2HE   LYS  10          1HE       LYS  10   6.803  -2.615   7.534
   87   1HZ   LYS  10          1HZ       LYS  10   8.132  -1.799   5.871
   88   2HZ   LYS  10          2HZ       LYS  10   9.196  -2.921   6.575
   89   3HZ   LYS  10          3HZ       LYS  10   9.343  -1.267   6.933
   90    H    GLN  11           H        GLN  11   4.098   3.158  10.165
   91    HA   GLN  11           HA       GLN  11   2.982   1.423  12.161
   92   1HB   GLN  11          2HB       GLN  11   3.757   4.151  11.795
   93   2HB   GLN  11          1HB       GLN  11   2.132   4.139  12.482
   94   1HG   GLN  11          2HG       GLN  11   3.524   4.049  14.381
   95   2HG   GLN  11          1HG       GLN  11   3.073   2.363  14.125
   96   1HE2  GLN  11          1HE2      GLN  11   5.138   1.759  15.235
   97   2HE2  GLN  11          2HE2      GLN  11   6.600   1.831  14.376
   98    H    TYR  12           H        TYR  12   1.597   3.047   9.412
   99    HA   TYR  12           HA       TYR  12  -1.173   2.617  10.439
  100   1HB   TYR  12          2HB       TYR  12   0.229   4.503   8.716
  101   2HB   TYR  12          1HB       TYR  12  -1.220   3.869   7.933
  102    HD1  TYR  12           HD1      TYR  12   0.076   6.063  10.501
  103    HD2  TYR  12           HD2      TYR  12  -3.433   3.973   9.172
  104    HE1  TYR  12           HE1      TYR  12  -1.335   7.528  11.920
  105    HE2  TYR  12           HE2      TYR  12  -4.844   5.438  10.590
  106    HH   TYR  12           HH       TYR  12  -4.612   7.819  11.571
  107    H    LYS  13           H        LYS  13   1.104   0.905   8.754
  108    HA   LYS  13           HA       LYS  13  -0.654  -0.136   6.624
  109   1HB   LYS  13          2HB       LYS  13   2.176  -0.153   7.397
  110   2HB   LYS  13          1HB       LYS  13   1.623  -1.716   6.795
  111   1HG   LYS  13          2HG       LYS  13   0.798  -0.703   4.751
  112   2HG   LYS  13          1HG       LYS  13   1.156   0.912   5.362
  113   1HD   LYS  13          2HD       LYS  13   2.895   0.035   3.776
  114   2HD   LYS  13          1HD       LYS  13   3.536   0.444   5.368
  115   1HE   LYS  13          2HE       LYS  13   3.811  -1.800   5.984
  116   2HE   LYS  13          1HE       LYS  13   2.595  -2.366   4.822
  117   1HZ   LYS  13          1HZ       LYS  13   4.994  -0.945   3.873
  118   2HZ   LYS  13          2HZ       LYS  13   4.006  -2.048   3.042
  119   3HZ   LYS  13          3HZ       LYS  13   5.089  -2.600   4.229
  120    H    HIS  14           H        HIS  14  -1.987  -0.649   8.945
  121    HA   HIS  14           HA       HIS  14  -1.225  -3.294  10.009
  122   1HB   HIS  14          2HB       HIS  14  -3.199  -1.122  10.546
  123   2HB   HIS  14          1HB       HIS  14  -3.662  -2.750  11.048
  124    HD1  HIS  14           HD1      HIS  14  -0.120  -1.413  11.085
  125    HD2  HIS  14           HD2      HIS  14  -3.109  -2.479  13.787
  126    HE1  HIS  14           HE1      HIS  14   0.943  -1.370  13.383
  127    H    TYR  15           H        TYR  15  -3.172  -1.956   7.508
  128    HA   TYR  15           HA       TYR  15  -4.836  -4.394   7.224
  129   1HB   TYR  15          2HB       TYR  15  -5.689  -3.003   5.222
  130   2HB   TYR  15          1HB       TYR  15  -5.991  -2.341   6.827
  131    HD1  TYR  15           HD1      TYR  15  -5.538  -0.084   7.116
  132    HD2  TYR  15           HD2      TYR  15  -3.237  -2.330   4.270
  133    HE1  TYR  15           HE1      TYR  15  -4.288   1.971   6.506
  134    HE2  TYR  15           HE2      TYR  15  -1.986  -0.276   3.660
  135    HH   TYR  15           HH       TYR  15  -2.922   2.878   4.899
  136    H    CYS  16           H        CYS  16  -1.733  -3.441   6.409
  137    HA   CYS  16           HA       CYS  16  -1.487  -5.583   4.396
  138   1HB   CYS  16          2HB       CYS  16  -1.355  -2.635   3.807
  139   2HB   CYS  16          1HB       CYS  16  -0.355  -3.749   2.875
  140    H    ILE  17           H        ILE  17   0.259  -6.593   5.406
  141    HA   ILE  17           HA       ILE  17   2.305  -5.134   6.857
  142    HB   ILE  17           HB       ILE  17   2.325  -7.960   5.753
  143   1HG1  ILE  17          2HG1      ILE  17   0.261  -7.651   6.983
  144   2HG1  ILE  17          1HG1      ILE  17   1.377  -8.536   8.023
  145   1HG2  ILE  17          1HG2      ILE  17   3.484  -7.741   8.332
  146   2HG2  ILE  17          2HG2      ILE  17   4.145  -6.421   7.367
  147   3HG2  ILE  17          3HG2      ILE  17   4.306  -8.086   6.810
  148   1HD1  ILE  17          1HD1      ILE  17   1.019  -6.940   9.577
  149   2HD1  ILE  17          2HD1      ILE  17   0.187  -5.906   8.416
  150   3HD1  ILE  17          3HD1      ILE  17   1.945  -5.852   8.543
  151    H    LYS  18           H        LYS  18   2.417  -7.002   3.790
  152    HA   LYS  18           HA       LYS  18   4.879  -5.472   3.045
  153   1HB   LYS  18          2HB       LYS  18   5.325  -7.374   1.596
  154   2HB   LYS  18          1HB       LYS  18   4.884  -7.991   3.188
  155   1HG   LYS  18          2HG       LYS  18   2.446  -7.978   2.192
  156   2HG   LYS  18          1HG       LYS  18   3.293  -8.010   0.645
  157   1HD   LYS  18          2HD       LYS  18   3.522 -10.015   2.903
  158   2HD   LYS  18          1HD       LYS  18   2.887 -10.299   1.282
  159   1HE   LYS  18          2HE       LYS  18   5.741  -9.387   1.760
  160   2HE   LYS  18          1HE       LYS  18   5.285 -11.098   1.651
  161   1HZ   LYS  18          1HZ       LYS  18   4.520  -9.074  -0.378
  162   2HZ   LYS  18          2HZ       LYS  18   4.359 -10.761  -0.490
  163   3HZ   LYS  18          3HZ       LYS  18   5.900 -10.049  -0.520
  164    H    GLY  19           H        GLY  19   2.643  -3.945   2.741
  165   1HA   GLY  19          2HA       GLY  19   2.434  -3.727  -0.194
  166   2HA   GLY  19          1HA       GLY  19   0.917  -3.978   0.672
  167    H    ARG  20           H        ARG  20   1.935  -1.587  -0.843
  168    HA   ARG  20           HA       ARG  20   2.111   0.426   1.353
  169   1HB   ARG  20          2HB       ARG  20   2.803   0.278  -1.567
  170   2HB   ARG  20          1HB       ARG  20   2.555   1.859  -0.823
  171   1HG   ARG  20          2HG       ARG  20   4.336   1.560   0.696
  172   2HG   ARG  20          1HG       ARG  20   4.362  -0.187   0.458
  173   1HD   ARG  20          2HD       ARG  20   5.225   1.928  -1.545
  174   2HD   ARG  20          1HD       ARG  20   6.254   0.719  -0.752
  175    HE   ARG  20           HE       ARG  20   4.524  -0.942  -1.894
  176   1HH1  ARG  20          1HH2      ARG  20   7.060   0.188  -3.324
  177   2HH1  ARG  20          2HH2      ARG  20   6.394   0.515  -4.889
  178   1HH2  ARG  20          1HH1      ARG  20   3.102   0.266  -3.831
  179   2HH2  ARG  20          2HH1      ARG  20   4.153   0.559  -5.175
  180    H    CYS  21           H        CYS  21   0.485   1.966   1.624
  181    HA   CYS  21           HA       CYS  21  -1.944   1.650  -0.110
  182   1HB   CYS  21          2HB       CYS  21  -2.263   0.911   2.181
  183   2HB   CYS  21          1HB       CYS  21  -1.557   2.404   2.801
  184    H    ARG  22           H        ARG  22  -2.368   3.422  -1.356
  185    HA   ARG  22           HA       ARG  22  -1.068   6.016  -0.691
  186   1HB   ARG  22          2HB       ARG  22  -1.366   4.586  -3.006
  187   2HB   ARG  22          1HB       ARG  22  -2.729   5.699  -3.124
  188   1HG   ARG  22          2HG       ARG  22  -1.338   7.603  -3.056
  189   2HG   ARG  22          1HG       ARG  22   0.022   6.694  -2.396
  190   1HD   ARG  22          2HD       ARG  22  -0.043   5.355  -4.620
  191   2HD   ARG  22          1HD       ARG  22  -1.028   6.702  -5.229
  192    HE   ARG  22           HE       ARG  22   1.214   7.803  -3.867
  193   1HH1  ARG  22          1HH2      ARG  22   0.108   7.978  -6.833
  194   2HH1  ARG  22          2HH2      ARG  22   1.580   7.661  -7.689
  195   1HH2  ARG  22          1HH1      ARG  22   3.271   6.513  -4.887
  196   2HH2  ARG  22          2HH1      ARG  22   3.372   6.832  -6.587
  197    H    PHE  23           H        PHE  23  -2.333   7.171   0.750
  198    HA   PHE  23           HA       PHE  23  -5.285   7.036   0.582
  199   1HB   PHE  23          2HB       PHE  23  -3.663   7.048   2.660
  200   2HB   PHE  23          1HB       PHE  23  -3.695   8.796   2.427
  201    HD1  PHE  23           HD1      PHE  23  -6.257   9.619   1.774
  202    HD2  PHE  23           HD2      PHE  23  -5.179   6.275   4.247
  203    HE1  PHE  23           HE1      PHE  23  -8.466   9.734   2.890
  204    HE2  PHE  23           HE2      PHE  23  -7.390   6.391   5.364
  205    HZ   PHE  23           HZ       PHE  23  -9.034   8.120   4.687
  206    H    VAL  24           H        VAL  24  -6.195   8.361  -0.954
  207    HA   VAL  24           HA       VAL  24  -4.892  10.837  -1.830
  208    HB   VAL  24           HB       VAL  24  -7.563   9.518  -2.405
  209   1HG1  VAL  24          1HG1      VAL  24  -6.367  11.492  -4.278
  210   2HG1  VAL  24          2HG1      VAL  24  -7.071  12.145  -2.800
  211   3HG1  VAL  24          3HG1      VAL  24  -8.061  11.185  -3.898
  212   1HG2  VAL  24          1HG2      VAL  24  -5.107   9.718  -4.163
  213   2HG2  VAL  24          2HG2      VAL  24  -6.516   8.681  -4.387
  214   3HG2  VAL  24          3HG2      VAL  24  -5.382   8.357  -3.076
  215    H    VAL  25           H        VAL  25  -5.067  12.666  -0.612
  216    HA   VAL  25           HA       VAL  25  -7.166  13.000   1.403
  217    HB   VAL  25           HB       VAL  25  -4.964  14.806   0.348
  218   1HG1  VAL  25          1HG1      VAL  25  -6.899  15.943   1.543
  219   2HG1  VAL  25          2HG1      VAL  25  -5.320  16.163   2.297
  220   3HG1  VAL  25          3HG1      VAL  25  -6.465  15.003   2.970
  221   1HG2  VAL  25          1HG2      VAL  25  -4.965  13.343   2.979
  222   2HG2  VAL  25          2HG2      VAL  25  -3.595  13.937   2.040
  223   3HG2  VAL  25          3HG2      VAL  25  -4.473  12.503   1.508
  224    H    ALA  26           H        ALA  26  -6.176  14.939  -1.465
  225    HA   ALA  26           HA       ALA  26  -8.186  16.823  -1.600
  226   1HB   ALA  26          1HB       ALA  26  -6.390  16.631  -3.234
  227   2HB   ALA  26          2HB       ALA  26  -7.926  16.570  -4.098
  228   3HB   ALA  26          3HB       ALA  26  -7.021  15.085  -3.802
  229    H    GLU  27           H        GLU  27  -8.425  13.431  -2.641
  230    HA   GLU  27           HA       GLU  27 -11.412  13.705  -2.607
  231   1HB   GLU  27          2HB       GLU  27 -10.325  13.502  -4.881
  232   2HB   GLU  27          1HB       GLU  27  -9.705  11.928  -4.382
  233   1HG   GLU  27          2HG       GLU  27 -11.925  11.044  -4.117
  234   2HG   GLU  27          1HG       GLU  27 -12.645  12.641  -4.321
  235    H    GLN  28           H        GLN  28 -11.656  12.829  -0.512
  236    HA   GLN  28           HA       GLN  28 -10.376  10.939   0.938
  237   1HB   GLN  28          2HB       GLN  28 -13.203  11.652   0.455
  238   2HB   GLN  28          1HB       GLN  28 -12.959  10.095   1.248
  239   1HG   GLN  28          2HG       GLN  28 -11.156  11.841   2.505
  240   2HG   GLN  28          1HG       GLN  28 -12.647  12.766   2.335
  241   1HE2  GLN  28          1HE2      GLN  28 -14.605  11.900   3.380
  242   2HE2  GLN  28          2HE2      GLN  28 -14.489  10.728   4.602
  243    H    THR  29           H        THR  29  -9.223   9.418  -0.425
  244    HA   THR  29           HA       THR  29 -10.898   7.077  -1.193
  245    HB   THR  29           HB       THR  29  -9.127   8.717  -3.018
  246    HG1  THR  29           1HG      THR  29 -11.676   7.687  -3.570
  247   1HG2  THR  29          1HG2      THR  29  -8.421   6.621  -3.686
  248   2HG2  THR  29          2HG2      THR  29  -9.895   6.756  -4.645
  249   3HG2  THR  29          3HG2      THR  29  -9.902   5.834  -3.141
  250    HA   PRO  30           HA       PRO  30  -6.948   5.908   0.840
  251   1HB   PRO  30          2HB       PRO  30  -8.057   3.949   2.393
  252   2HB   PRO  30          1HB       PRO  30  -8.020   5.657   2.874
  253   1HG   PRO  30          2HG       PRO  30 -10.254   4.060   1.728
  254   2HG   PRO  30          1HG       PRO  30 -10.287   5.321   2.970
  255   1HD   PRO  30          2HD       PRO  30 -11.008   5.731   0.364
  256   2HD   PRO  30          1HD       PRO  30 -10.394   7.010   1.435
  257    H    SER  31           H        SER  31  -6.056   4.897  -1.013
  258    HA   SER  31           HA       SER  31  -7.240   2.328  -1.939
  259   1HB   SER  31          2HB       SER  31  -6.702   3.939  -3.645
  260   2HB   SER  31          1HB       SER  31  -5.106   4.223  -2.957
  261    HG   SER  31           HG       SER  31  -5.990   1.708  -3.930
  262    H    CYS  32           H        CYS  32  -6.269   0.382  -1.459
  263    HA   CYS  32           HA       CYS  32  -3.636   0.481  -0.024
  264   1HB   CYS  32          2HB       CYS  32  -4.470  -1.632   1.019
  265   2HB   CYS  32          1HB       CYS  32  -5.545  -0.265   1.317
  266    H    VAL  33           H        VAL  33  -2.161   0.081  -1.692
  267    HA   VAL  33           HA       VAL  33  -2.712  -2.155  -3.583
  268    HB   VAL  33           HB       VAL  33  -0.763   0.152  -3.433
  269   1HG1  VAL  33          1HG1      VAL  33  -0.393  -1.072  -5.904
  270   2HG1  VAL  33          2HG1      VAL  33  -0.445  -2.427  -4.775
  271   3HG1  VAL  33          3HG1      VAL  33   0.730  -1.133  -4.545
  272   1HG2  VAL  33          1HG2      VAL  33  -1.950   1.003  -5.259
  273   2HG2  VAL  33          2HG2      VAL  33  -3.234   0.219  -4.340
  274   3HG2  VAL  33          3HG2      VAL  33  -2.537  -0.588  -5.746
  275    H    CYS  34           H        CYS  34  -1.846  -4.132  -3.094
  276    HA   CYS  34           HA       CYS  34   0.306  -4.312  -1.053
  277   1HB   CYS  34          2HB       CYS  34  -1.242  -6.512  -2.448
  278   2HB   CYS  34          1HB       CYS  34  -0.397  -6.609  -0.904
  279    H    ASP  35           H        ASP  35   2.242  -5.588  -1.491
  280    HA   ASP  35           HA       ASP  35   3.687  -5.058  -3.792
  281   1HB   ASP  35          2HB       ASP  35   3.667  -7.124  -1.671
  282   2HB   ASP  35          1HB       ASP  35   4.570  -7.561  -3.122
  283    H    GLU  36           H        GLU  36   3.358  -5.574  -5.916
  284    HA   GLU  36           HA       GLU  36   1.266  -7.058  -6.996
  285   1HB   GLU  36          2HB       GLU  36   3.548  -5.713  -7.862
  286   2HB   GLU  36          1HB       GLU  36   3.769  -7.350  -8.482
  287   1HG   GLU  36          2HG       GLU  36   1.206  -7.060  -9.148
  288   2HG   GLU  36          1HG       GLU  36   1.644  -5.350  -9.127
  289    H    GLY  37           H        GLY  37   4.571  -8.279  -6.320
  290   1HA   GLY  37          2HA       GLY  37   3.656 -11.039  -6.845
  291   2HA   GLY  37          1HA       GLY  37   5.317 -10.548  -6.516
  292    H    TYR  38           H        TYR  38   2.319  -9.971  -4.653
  293    HA   TYR  38           HA       TYR  38   3.707 -11.207  -2.304
  294   1HB   TYR  38          2HB       TYR  38   2.800  -9.507  -1.030
  295   2HB   TYR  38          1HB       TYR  38   2.837  -8.680  -2.583
  296    HD1  TYR  38           HD1      TYR  38   0.834  -9.247   0.168
  297    HD2  TYR  38           HD2      TYR  38   0.647  -9.400  -4.120
  298    HE1  TYR  38           HE1      TYR  38  -1.629  -8.986   0.266
  299    HE2  TYR  38           HE2      TYR  38  -1.816  -9.138  -4.022
  300    HH   TYR  38           HH       TYR  38  -3.648  -9.626  -2.305
  301    H    ILE  39           H        ILE  39   2.054 -12.158  -0.679
  302    HA   ILE  39           HA       ILE  39  -0.328 -13.352  -2.014
  303    HB   ILE  39           HB       ILE  39   1.993 -14.816  -0.724
  304   1HG1  ILE  39          2HG1      ILE  39   2.160 -14.108  -3.145
  305   2HG1  ILE  39          1HG1      ILE  39   2.230 -15.854  -2.900
  306   1HG2  ILE  39          1HG2      ILE  39   0.199 -16.075   0.058
  307   2HG2  ILE  39          2HG2      ILE  39   0.472 -16.830  -1.513
  308   3HG2  ILE  39          3HG2      ILE  39  -0.826 -15.654  -1.314
  309   1HD1  ILE  39          1HD1      ILE  39  -0.518 -14.956  -3.174
  310   2HD1  ILE  39          2HD1      ILE  39   0.355 -16.171  -4.109
  311   3HD1  ILE  39          3HD1      ILE  39   0.447 -14.471  -4.569
  312    H    GLY  40           H        GLY  40  -1.918 -14.102  -0.469
  313   1HA   GLY  40          2HA       GLY  40  -2.542 -14.571   1.877
  314   2HA   GLY  40          1HA       GLY  40  -1.360 -13.359   2.372
  315    H    ALA  41           H        ALA  41  -4.162 -13.357   3.097
  316    HA   ALA  41           HA       ALA  41  -5.592 -11.421   1.458
  317   1HB   ALA  41          1HB       ALA  41  -7.061 -12.695   2.680
  318   2HB   ALA  41          2HB       ALA  41  -6.831 -11.419   3.876
  319   3HB   ALA  41          3HB       ALA  41  -5.916 -12.922   4.001
  320    H    ARG  42           H        ARG  42  -3.702 -11.273   4.476
  321    HA   ARG  42           HA       ARG  42  -4.068  -8.322   4.589
  322   1HB   ARG  42          2HB       ARG  42  -3.135 -10.522   6.407
  323   2HB   ARG  42          1HB       ARG  42  -2.649  -8.862   6.758
  324   1HG   ARG  42          2HG       ARG  42  -5.473  -9.016   6.080
  325   2HG   ARG  42          1HG       ARG  42  -5.084 -10.058   7.450
  326   1HD   ARG  42          2HD       ARG  42  -4.168  -7.170   7.283
  327   2HD   ARG  42          1HD       ARG  42  -5.672  -7.665   8.085
  328    HE   ARG  42           HE       ARG  42  -2.998  -8.104   9.120
  329   1HH1  ARG  42          1HH1      ARG  42  -6.161  -8.244   9.974
  330   2HH1  ARG  42          2HH1      ARG  42  -6.063  -9.688  10.924
  331   1HH2  ARG  42          1HH2      ARG  42  -2.856 -10.482   9.869
  332   2HH2  ARG  42          2HH2      ARG  42  -4.193 -10.955  10.865
  333    H    CYS  43           H        CYS  43  -2.177 -10.167   2.786
  334    HA   CYS  43           HA       CYS  43  -0.111  -9.745   1.707
  335   1HB   CYS  43          2HB       CYS  43   0.114  -7.298   3.466
  336   2HB   CYS  43          1HB       CYS  43   0.692  -7.516   1.818
  337    H    GLU  44           H        GLU  44   0.050 -11.605   3.650
  338    HA   GLU  44           HA       GLU  44   2.269 -10.798   5.485
  339   1HB   GLU  44          2HB       GLU  44  -0.081 -12.025   5.988
  340   2HB   GLU  44          1HB       GLU  44   0.909 -13.445   5.648
  341   1HG   GLU  44          2HG       GLU  44   2.567 -11.949   7.267
  342   2HG   GLU  44          1HG       GLU  44   0.975 -11.630   7.958
  343    H    ARG  45           H        ARG  45   1.370 -13.193   3.009
  344    HA   ARG  45           HA       ARG  45   4.088 -14.396   3.148
  345   1HB   ARG  45          2HB       ARG  45   1.393 -15.197   2.459
  346   2HB   ARG  45          1HB       ARG  45   2.496 -15.582   1.137
  347   1HG   ARG  45          2HG       ARG  45   3.743 -17.052   2.415
  348   2HG   ARG  45          1HG       ARG  45   3.366 -16.221   3.925
  349   1HD   ARG  45          2HD       ARG  45   1.692 -17.692   4.315
  350   2HD   ARG  45          1HD       ARG  45   0.914 -17.213   2.793
  351    HE   ARG  45           HE       ARG  45   3.086 -18.845   2.071
  352   1HH1  ARG  45          1HH1      ARG  45   0.203 -19.435   1.404
  353   2HH1  ARG  45          2HH1      ARG  45  -0.039 -20.953   2.201
  354   1HH2  ARG  45          1HH2      ARG  45   2.783 -20.657   4.196
  355   2HH2  ARG  45          2HH2      ARG  45   1.422 -21.645   3.782
  356    H    VAL  46           H        VAL  46   4.841 -15.031   0.742
  357    HA   VAL  46           HA       VAL  46   4.380 -12.807  -1.176
  358    HB   VAL  46           HB       VAL  46   6.179 -12.046   0.298
  359   1HG1  VAL  46          1HG1      VAL  46   7.331 -14.770  -0.331
  360   2HG1  VAL  46          2HG1      VAL  46   6.985 -14.075   1.252
  361   3HG1  VAL  46          3HG1      VAL  46   8.326 -13.453   0.289
  362   1HG2  VAL  46          1HG2      VAL  46   7.884 -11.645  -1.368
  363   2HG2  VAL  46          2HG2      VAL  46   6.331 -11.676  -2.202
  364   3HG2  VAL  46          3HG2      VAL  46   7.401 -13.075  -2.279
  365    H    ASP  47           H        ASP  47   4.978 -13.406  -3.341
  366    HA   ASP  47           HA       ASP  47   5.582 -16.325  -3.682
  367   1HB   ASP  47          2HB       ASP  47   3.333 -15.443  -4.381
  368   2HB   ASP  47          1HB       ASP  47   4.154 -14.393  -5.537
  369    H    LEU  48           H        LEU  48   7.926 -15.784  -3.616
  370    HA   LEU  48           HA       LEU  48   8.876 -14.358  -6.076
  371   1HB   LEU  48          2HB       LEU  48  10.862 -13.848  -4.776
  372   2HB   LEU  48          1HB       LEU  48   9.453 -13.443  -3.798
  373    HG   LEU  48           HG       LEU  48  10.572 -16.207  -3.552
  374   1HD1  LEU  48          1HD1      LEU  48  12.032 -15.143  -1.659
  375   2HD1  LEU  48          2HD1      LEU  48  11.899 -13.672  -2.625
  376   3HD1  LEU  48          3HD1      LEU  48  12.632 -15.120  -3.318
  377   1HD2  LEU  48          1HD2      LEU  48   8.699 -14.502  -2.211
  378   2HD2  LEU  48          2HD2      LEU  48  10.004 -14.883  -1.089
  379   3HD2  LEU  48          3HD2      LEU  48   9.092 -16.182  -1.854
  380    H    PHE  49           H        PHE  49   8.326 -17.413  -4.990
  381    HA   PHE  49           HA       PHE  49  10.859 -18.648  -5.878
  382   1HB   PHE  49          2HB       PHE  49   8.743 -19.244  -4.126
  383   2HB   PHE  49          1HB       PHE  49   8.592 -20.416  -5.435
  384    HD1  PHE  49           HD1      PHE  49  11.417 -20.743  -6.264
  385    HD2  PHE  49           HD2      PHE  49   9.684 -20.471  -2.343
  386    HE1  PHE  49           HE1      PHE  49  13.320 -22.033  -5.332
  387    HE2  PHE  49           HE2      PHE  49  11.586 -21.759  -1.412
  388    HZ   PHE  49           HZ       PHE  49  13.405 -22.540  -2.906
  389    H    TYR  50           H        TYR  50   7.439 -19.280  -6.747
  390    HA   TYR  50           HA       TYR  50   8.154 -20.380  -9.338
  391   1HB   TYR  50          2HB       TYR  50   6.143 -20.836  -7.764
  392   2HB   TYR  50          1HB       TYR  50   5.442 -19.379  -8.468
  393    HD1  TYR  50           HD1      TYR  50   7.194 -22.510  -9.586
  394    HD2  TYR  50           HD2      TYR  50   4.100 -19.630 -10.353
  395    HE1  TYR  50           HE1      TYR  50   6.474 -23.811 -11.570
  396    HE2  TYR  50           HE2      TYR  50   3.381 -20.932 -12.337
  397    HH   TYR  50           HH       TYR  50   4.241 -24.061 -12.892
  Start of MODEL    5
    1   1H    ARG   1          H1        ARG   1   4.067  17.401 -12.875
    2   2H    ARG   1          H2        ARG   1   3.677  15.805 -13.308
    3   3H    ARG   1          H3        ARG   1   3.693  16.265 -11.672
    4    HA   ARG   1           HA       ARG   1   1.913  18.012 -12.562
    5   1HB   ARG   1          2HB       ARG   1   1.882  15.574 -14.367
    6   2HB   ARG   1          1HB       ARG   1   0.562  16.741 -14.275
    7   1HG   ARG   1          2HG       ARG   1   1.762  18.394 -15.340
    8   2HG   ARG   1          1HG       ARG   1   3.309  17.817 -14.718
    9   1HD   ARG   1          2HD       ARG   1   3.488  17.159 -16.952
   10   2HD   ARG   1          1HD       ARG   1   2.727  15.709 -16.265
   11    HE   ARG   1           HE       ARG   1   0.764  16.274 -17.445
   12   1HH1  ARG   1          1HH2      ARG   1   2.151  17.850 -19.470
   13   2HH1  ARG   1          2HH2      ARG   1   1.443  19.423 -19.319
   14   1HH2  ARG   1          1HH1      ARG   1   0.116  18.815 -16.174
   15   2HH2  ARG   1          2HH1      ARG   1   0.290  19.970 -17.453
   16    H    LYS   2           H        LYS   2   1.317  14.505 -12.835
   17    HA   LYS   2           HA       LYS   2  -0.509  14.676 -10.500
   18   1HB   LYS   2          2HB       LYS   2  -1.146  12.393 -11.325
   19   2HB   LYS   2          1HB       LYS   2  -1.291  13.639 -12.566
   20   1HG   LYS   2          2HG       LYS   2   0.195  12.570 -13.872
   21   2HG   LYS   2          1HG       LYS   2   1.389  12.578 -12.574
   22   1HD   LYS   2          2HD       LYS   2   1.071  10.287 -12.919
   23   2HD   LYS   2          1HD       LYS   2  -0.052  10.615 -11.600
   24   1HE   LYS   2          2HE       LYS   2  -1.802   9.975 -12.886
   25   2HE   LYS   2          1HE       LYS   2  -1.337  11.131 -14.149
   26   1HZ   LYS   2          1HZ       LYS   2   0.442   9.547 -14.794
   27   2HZ   LYS   2          2HZ       LYS   2  -1.125   8.940 -15.048
   28   3HZ   LYS   2          3HZ       LYS   2  -0.214   8.416 -13.713
   29    H    GLY   3           H        GLY   3  -0.301  13.160  -8.720
   30   1HA   GLY   3          2HA       GLY   3   0.992  11.278  -7.705
   31   2HA   GLY   3          1HA       GLY   3   2.434  11.978  -8.442
   32    H    HIS   4           H        HIS   4  -0.195  13.632  -6.704
   33    HA   HIS   4           HA       HIS   4   1.836  14.503  -4.673
   34   1HB   HIS   4          2HB       HIS   4   0.991  16.130  -6.517
   35   2HB   HIS   4          1HB       HIS   4  -0.522  16.138  -5.610
   36    HD1  HIS   4           HD1      HIS   4  -0.601  18.089  -4.074
   37    HD2  HIS   4           HD2      HIS   4   3.266  16.565  -4.394
   38    HE1  HIS   4           HE1      HIS   4   0.851  19.495  -2.548
   39    H    PHE   5           H        PHE   5   0.863  12.527  -3.522
   40    HA   PHE   5           HA       PHE   5  -1.606  13.368  -2.042
   41   1HB   PHE   5          2HB       PHE   5  -0.877  10.570  -2.969
   42   2HB   PHE   5          1HB       PHE   5  -2.384  11.061  -2.196
   43    HD1  PHE   5           HD1      PHE   5  -4.062  12.363  -3.404
   44    HD2  PHE   5           HD2      PHE   5  -0.391  11.172  -5.290
   45    HE1  PHE   5           HE1      PHE   5  -5.013  12.942  -5.620
   46    HE2  PHE   5           HE2      PHE   5  -1.342  11.752  -7.506
   47    HZ   PHE   5           HZ       PHE   5  -3.652  12.637  -7.671
   48    H    SER   6           H        SER   6  -1.304  10.667  -0.634
   49    HA   SER   6           HA       SER   6   1.106  11.311   1.030
   50   1HB   SER   6          2HB       SER   6  -1.474  10.271   2.177
   51   2HB   SER   6          1HB       SER   6  -0.207  11.196   2.974
   52    HG   SER   6           HG       SER   6  -2.400  12.128   1.947
   53    H    ARG   7           H        ARG   7   2.397   9.533   1.325
   54    HA   ARG   7           HA       ARG   7   1.483   6.906   0.335
   55   1HB   ARG   7          2HB       ARG   7   3.874   8.370   0.459
   56   2HB   ARG   7          1HB       ARG   7   4.110   7.030   1.581
   57   1HG   ARG   7          2HG       ARG   7   3.091   5.580  -0.353
   58   2HG   ARG   7          1HG       ARG   7   3.556   6.944  -1.372
   59   1HD   ARG   7          2HD       ARG   7   5.404   5.349   0.441
   60   2HD   ARG   7          1HD       ARG   7   5.410   5.356  -1.334
   61    HE   ARG   7           HE       ARG   7   5.603   8.047  -0.568
   62   1HH1  ARG   7          1HH2      ARG   7   7.494   5.352  -1.252
   63   2HH1  ARG   7          2HH2      ARG   7   8.972   6.019  -0.643
   64   1HH2  ARG   7          1HH1      ARG   7   7.457   8.828   0.712
   65   2HH2  ARG   7          2HH1      ARG   7   8.951   7.987   0.470
   66    H    CYS   8           H        CYS   8   0.306   5.700   1.787
   67    HA   CYS   8           HA       CYS   8   0.010   5.937   4.519
   68   1HB   CYS   8          2HB       CYS   8   0.151   3.550   2.676
   69   2HB   CYS   8          1HB       CYS   8  -0.267   3.361   4.378
   70    HA   PRO   9           HA       PRO   9   4.289   5.189   5.709
   71   1HB   PRO   9          2HB       PRO   9   3.988   6.107   8.270
   72   2HB   PRO   9          1HB       PRO   9   4.220   7.184   6.880
   73   1HG   PRO   9          2HG       PRO   9   1.727   6.491   8.341
   74   2HG   PRO   9          1HG       PRO   9   2.229   8.032   7.629
   75   1HD   PRO   9          2HD       PRO   9   0.432   6.319   6.468
   76   2HD   PRO   9          1HD       PRO   9   1.421   7.487   5.566
   77    H    LYS  10           H        LYS  10   5.136   4.052   7.873
   78    HA   LYS  10           HA       LYS  10   3.972   1.434   7.995
   79   1HB   LYS  10          2HB       LYS  10   6.000   3.014   9.570
   80   2HB   LYS  10          1HB       LYS  10   5.555   1.382  10.072
   81   1HG   LYS  10          2HG       LYS  10   6.159   0.520   7.846
   82   2HG   LYS  10          1HG       LYS  10   6.587   2.150   7.325
   83   1HD   LYS  10          2HD       LYS  10   8.340   2.263   9.038
   84   2HD   LYS  10          1HD       LYS  10   7.894   0.658   9.619
   85   1HE   LYS  10          2HE       LYS  10   8.631  -0.391   7.600
   86   2HE   LYS  10          1HE       LYS  10   8.746   1.165   6.753
   87   1HZ   LYS  10          1HZ       LYS  10  10.373   0.264   9.069
   88   2HZ   LYS  10          2HZ       LYS  10  10.377   1.855   8.472
   89   3HZ   LYS  10          3HZ       LYS  10  10.926   0.577   7.496
   90    H    GLN  11           H        GLN  11   3.656   4.298  10.075
   91    HA   GLN  11           HA       GLN  11   2.298   3.105  12.271
   92   1HB   GLN  11          2HB       GLN  11   1.633   5.401  12.745
   93   2HB   GLN  11          1HB       GLN  11   3.272   5.414  12.092
   94   1HG   GLN  11          2HG       GLN  11   2.640   6.498  10.189
   95   2HG   GLN  11          1HG       GLN  11   1.129   5.602  10.063
   96   1HE2  GLN  11          1HE2      GLN  11  -0.363   6.207  12.193
   97   2HE2  GLN  11          2HE2      GLN  11  -0.542   7.880  12.419
   98    H    TYR  12           H        TYR  12   1.255   3.548   9.027
   99    HA   TYR  12           HA       TYR  12  -1.600   3.128   9.857
  100   1HB   TYR  12          2HB       TYR  12  -0.223   4.845   7.869
  101   2HB   TYR  12          1HB       TYR  12  -1.715   4.088   7.313
  102    HD1  TYR  12           HD1      TYR  12  -0.363   6.854   9.047
  103    HD2  TYR  12           HD2      TYR  12  -3.730   4.187   9.037
  104    HE1  TYR  12           HE1      TYR  12  -1.686   8.519  10.324
  105    HE2  TYR  12           HE2      TYR  12  -5.052   5.852  10.315
  106    HH   TYR  12           HH       TYR  12  -3.997   8.098  12.044
  107    H    LYS  13           H        LYS  13   1.070   1.629   8.484
  108    HA   LYS  13           HA       LYS  13  -0.382   0.076   6.441
  109   1HB   LYS  13          2HB       LYS  13   2.206   0.912   6.830
  110   2HB   LYS  13          1HB       LYS  13   2.297  -0.773   7.348
  111   1HG   LYS  13          2HG       LYS  13   1.878  -1.584   5.247
  112   2HG   LYS  13          1HG       LYS  13   0.789  -0.257   4.841
  113   1HD   LYS  13          2HD       LYS  13   2.637   0.202   3.482
  114   2HD   LYS  13          1HD       LYS  13   2.968   1.200   4.899
  115   1HE   LYS  13          2HE       LYS  13   3.985  -1.625   4.887
  116   2HE   LYS  13          1HE       LYS  13   4.857  -0.400   3.944
  117   1HZ   LYS  13          1HZ       LYS  13   4.130  -0.245   6.821
  118   2HZ   LYS  13          2HZ       LYS  13   4.783   1.047   5.931
  119   3HZ   LYS  13          3HZ       LYS  13   5.695  -0.367   6.176
  120    H    HIS  14           H        HIS  14  -1.493  -0.228   9.077
  121    HA   HIS  14           HA       HIS  14  -0.456  -2.755  10.186
  122   1HB   HIS  14          2HB       HIS  14  -2.618  -0.754  10.811
  123   2HB   HIS  14          1HB       HIS  14  -2.634  -2.329  11.604
  124    HD1  HIS  14           HD1      HIS  14   0.489  -0.371  10.725
  125    HD2  HIS  14           HD2      HIS  14  -1.654  -1.535  14.107
  126    HE1  HIS  14           HE1      HIS  14   1.916   0.246  12.724
  127    H    TYR  15           H        TYR  15  -2.791  -1.717   7.868
  128    HA   TYR  15           HA       TYR  15  -4.339  -4.239   8.013
  129   1HB   TYR  15          2HB       TYR  15  -5.557  -3.091   6.092
  130   2HB   TYR  15          1HB       TYR  15  -5.574  -2.206   7.615
  131    HD1  TYR  15           HD1      TYR  15  -5.050   0.053   7.548
  132    HD2  TYR  15           HD2      TYR  15  -3.396  -2.565   4.572
  133    HE1  TYR  15           HE1      TYR  15  -3.977   1.993   6.438
  134    HE2  TYR  15           HE2      TYR  15  -2.323  -0.624   3.462
  135    HH   TYR  15           HH       TYR  15  -3.150   2.577   4.165
  136    H    CYS  16           H        CYS  16  -1.377  -3.414   6.838
  137    HA   CYS  16           HA       CYS  16  -1.403  -5.615   4.874
  138   1HB   CYS  16          2HB       CYS  16  -1.350  -2.705   4.208
  139   2HB   CYS  16          1HB       CYS  16  -0.300  -3.764   3.268
  140    H    ILE  17           H        ILE  17   0.470  -6.691   5.363
  141    HA   ILE  17           HA       ILE  17   2.658  -5.362   6.788
  142    HB   ILE  17           HB       ILE  17   2.480  -8.138   5.577
  143   1HG1  ILE  17          2HG1      ILE  17   0.530  -7.506   7.066
  144   2HG1  ILE  17          1HG1      ILE  17   1.489  -8.865   7.655
  145   1HG2  ILE  17          1HG2      ILE  17   4.005  -8.651   7.527
  146   2HG2  ILE  17          2HG2      ILE  17   4.120  -6.915   7.814
  147   3HG2  ILE  17          3HG2      ILE  17   4.720  -7.602   6.303
  148   1HD1  ILE  17          1HD1      ILE  17   2.286  -7.696   9.448
  149   2HD1  ILE  17          2HD1      ILE  17   0.843  -6.715   9.188
  150   3HD1  ILE  17          3HD1      ILE  17   2.397  -6.188   8.542
  151    H    LYS  18           H        LYS  18   2.864  -7.451   3.883
  152    HA   LYS  18           HA       LYS  18   5.099  -5.751   2.902
  153   1HB   LYS  18          2HB       LYS  18   5.527  -7.664   1.446
  154   2HB   LYS  18          1HB       LYS  18   5.253  -8.243   3.089
  155   1HG   LYS  18          2HG       LYS  18   2.738  -8.381   2.285
  156   2HG   LYS  18          1HG       LYS  18   3.474  -8.450   0.684
  157   1HD   LYS  18          2HD       LYS  18   3.097 -10.709   1.696
  158   2HD   LYS  18          1HD       LYS  18   4.790 -10.392   1.315
  159   1HE   LYS  18          2HE       LYS  18   3.951  -9.552   4.033
  160   2HE   LYS  18          1HE       LYS  18   3.961 -11.303   3.747
  161   1HZ   LYS  18          1HZ       LYS  18   6.188  -9.853   2.596
  162   2HZ   LYS  18          2HZ       LYS  18   6.171 -11.334   3.427
  163   3HZ   LYS  18          3HZ       LYS  18   6.163  -9.873   4.291
  164    H    GLY  19           H        GLY  19   3.130  -4.114   2.539
  165   1HA   GLY  19          2HA       GLY  19   2.586  -4.178  -0.350
  166   2HA   GLY  19          1HA       GLY  19   1.153  -4.228   0.679
  167    H    ARG  20           H        ARG  20   1.345  -2.069  -0.936
  168    HA   ARG  20           HA       ARG  20   2.099   0.129   0.961
  169   1HB   ARG  20          2HB       ARG  20   2.741  -0.334  -1.942
  170   2HB   ARG  20          1HB       ARG  20   2.615   1.319  -1.338
  171   1HG   ARG  20          2HG       ARG  20   4.498   1.137  -0.040
  172   2HG   ARG  20          1HG       ARG  20   4.227  -0.573   0.296
  173   1HD   ARG  20          2HD       ARG  20   6.155  -0.487  -1.137
  174   2HD   ARG  20          1HD       ARG  20   4.811  -0.983  -2.185
  175    HE   ARG  20           HE       ARG  20   4.638   1.371  -2.940
  176   1HH1  ARG  20          1HH2      ARG  20   7.537   0.283  -3.303
  177   2HH1  ARG  20          2HH2      ARG  20   8.441   1.689  -2.845
  178   1HH2  ARG  20          1HH1      ARG  20   5.731   3.279  -1.378
  179   2HH2  ARG  20          2HH1      ARG  20   7.418   3.385  -1.755
  180    H    CYS  21           H        CYS  21   0.444   1.601   1.244
  181    HA   CYS  21           HA       CYS  21  -1.855   1.467  -0.682
  182   1HB   CYS  21          2HB       CYS  21  -2.496   0.488   1.400
  183   2HB   CYS  21          1HB       CYS  21  -1.684   1.750   2.325
  184    H    ARG  22           H        ARG  22  -2.547   3.425  -1.503
  185    HA   ARG  22           HA       ARG  22  -1.112   5.880  -0.570
  186   1HB   ARG  22          2HB       ARG  22  -1.871   4.726  -3.126
  187   2HB   ARG  22          1HB       ARG  22  -2.517   6.360  -2.969
  188   1HG   ARG  22          2HG       ARG  22  -0.452   7.044  -3.606
  189   2HG   ARG  22          1HG       ARG  22   0.035   6.634  -1.960
  190   1HD   ARG  22          2HD       ARG  22   1.506   5.196  -2.944
  191   2HD   ARG  22          1HD       ARG  22   0.090   4.176  -3.269
  192    HE   ARG  22           HE       ARG  22   0.208   6.210  -5.263
  193   1HH1  ARG  22          1HH2      ARG  22   3.011   4.774  -4.520
  194   2HH1  ARG  22          2HH2      ARG  22   3.138   3.764  -5.921
  195   1HH2  ARG  22          1HH1      ARG  22  -0.131   4.317  -6.939
  196   2HH2  ARG  22          2HH1      ARG  22   1.358   3.506  -7.292
  197    H    PHE  23           H        PHE  23  -2.306   7.349   0.572
  198    HA   PHE  23           HA       PHE  23  -5.286   7.076   0.547
  199   1HB   PHE  23          2HB       PHE  23  -3.692   6.904   2.619
  200   2HB   PHE  23          1HB       PHE  23  -3.642   8.663   2.507
  201    HD1  PHE  23           HD1      PHE  23  -6.202   9.595   1.855
  202    HD2  PHE  23           HD2      PHE  23  -5.202   6.151   4.218
  203    HE1  PHE  23           HE1      PHE  23  -8.403   9.734   2.986
  204    HE2  PHE  23           HE2      PHE  23  -7.404   6.289   5.351
  205    HZ   PHE  23           HZ       PHE  23  -9.005   8.081   4.735
  206    H    VAL  24           H        VAL  24  -6.211   8.529  -0.865
  207    HA   VAL  24           HA       VAL  24  -4.881  11.073  -1.520
  208    HB   VAL  24           HB       VAL  24  -7.567   9.879  -2.279
  209   1HG1  VAL  24          1HG1      VAL  24  -6.101  12.362  -3.048
  210   2HG1  VAL  24          2HG1      VAL  24  -7.837  12.076  -2.924
  211   3HG1  VAL  24          3HG1      VAL  24  -6.944  11.489  -4.328
  212   1HG2  VAL  24          1HG2      VAL  24  -5.080   8.897  -2.882
  213   2HG2  VAL  24          2HG2      VAL  24  -5.354   9.997  -4.234
  214   3HG2  VAL  24          3HG2      VAL  24  -6.500   8.694  -3.909
  215    H    VAL  25           H        VAL  25  -5.106  12.783  -0.143
  216    HA   VAL  25           HA       VAL  25  -7.182  12.935   1.883
  217    HB   VAL  25           HB       VAL  25  -5.183  14.961   0.823
  218   1HG1  VAL  25          1HG1      VAL  25  -6.520  16.316   2.111
  219   2HG1  VAL  25          2HG1      VAL  25  -5.552  15.620   3.410
  220   3HG1  VAL  25          3HG1      VAL  25  -7.153  14.969   3.057
  221   1HG2  VAL  25          1HG2      VAL  25  -3.765  13.375   1.677
  222   2HG2  VAL  25          2HG2      VAL  25  -5.022  12.641   2.672
  223   3HG2  VAL  25          3HG2      VAL  25  -4.218  14.114   3.213
  224    H    ALA  26           H        ALA  26  -6.425  15.246  -0.767
  225    HA   ALA  26           HA       ALA  26  -8.695  16.817  -0.758
  226   1HB   ALA  26          1HB       ALA  26  -8.316  16.963  -3.240
  227   2HB   ALA  26          2HB       ALA  26  -7.234  15.576  -3.114
  228   3HB   ALA  26          3HB       ALA  26  -6.825  17.090  -2.309
  229    H    GLU  27           H        GLU  27  -8.427  13.898  -2.815
  230    HA   GLU  27           HA       GLU  27 -11.398  13.662  -2.801
  231   1HB   GLU  27          2HB       GLU  27  -9.125  12.496  -4.430
  232   2HB   GLU  27          1HB       GLU  27 -10.783  11.918  -4.594
  233   1HG   GLU  27          2HG       GLU  27 -10.265  14.867  -4.736
  234   2HG   GLU  27          1HG       GLU  27  -9.891  13.870  -6.142
  235    H    GLN  28           H        GLN  28 -11.549  12.832  -0.604
  236    HA   GLN  28           HA       GLN  28 -10.227  10.930   0.797
  237   1HB   GLN  28          2HB       GLN  28 -12.530  10.134   1.526
  238   2HB   GLN  28          1HB       GLN  28 -12.296  11.882   1.570
  239   1HG   GLN  28          2HG       GLN  28 -13.180  11.168  -1.056
  240   2HG   GLN  28          1HG       GLN  28 -14.261  10.412   0.115
  241   1HE2  GLN  28          1HE2      GLN  28 -14.835  12.766  -1.650
  242   2HE2  GLN  28          2HE2      GLN  28 -15.242  14.037  -0.600
  243    H    THR  29           H        THR  29  -9.073   9.427  -0.548
  244    HA   THR  29           HA       THR  29 -10.758   7.137  -1.455
  245    HB   THR  29           HB       THR  29  -8.810   8.765  -3.099
  246    HG1  THR  29           1HG      THR  29 -10.661   9.483  -3.744
  247   1HG2  THR  29          1HG2      THR  29  -8.157   6.511  -3.533
  248   2HG2  THR  29          2HG2      THR  29  -9.234   6.962  -4.856
  249   3HG2  THR  29          3HG2      THR  29  -9.831   5.955  -3.536
  250    HA   PRO  30           HA       PRO  30  -7.010   5.719   0.747
  251   1HB   PRO  30          2HB       PRO  30  -8.298   3.868   2.287
  252   2HB   PRO  30          1HB       PRO  30  -8.183   5.580   2.737
  253   1HG   PRO  30          2HG       PRO  30 -10.471   4.071   1.625
  254   2HG   PRO  30          1HG       PRO  30 -10.455   5.451   2.730
  255   1HD   PRO  30          2HD       PRO  30 -11.008   5.560   0.004
  256   2HD   PRO  30          1HD       PRO  30 -10.576   6.942   1.032
  257    H    SER  31           H        SER  31  -6.297   4.707  -1.261
  258    HA   SER  31           HA       SER  31  -7.523   2.078  -1.948
  259   1HB   SER  31          2HB       SER  31  -5.666   2.514  -3.844
  260   2HB   SER  31          1HB       SER  31  -7.254   3.269  -3.905
  261    HG   SER  31           HG       SER  31  -4.851   4.360  -2.853
  262    H    CYS  32           H        CYS  32  -6.560   0.265  -1.118
  263    HA   CYS  32           HA       CYS  32  -3.746   0.463  -0.139
  264   1HB   CYS  32          2HB       CYS  32  -4.364  -1.420   1.248
  265   2HB   CYS  32          1HB       CYS  32  -5.682  -0.251   1.330
  266    H    VAL  33           H        VAL  33  -2.139  -0.775  -1.070
  267    HA   VAL  33           HA       VAL  33  -2.944  -2.782  -3.148
  268    HB   VAL  33           HB       VAL  33  -0.920  -0.538  -3.191
  269   1HG1  VAL  33          1HG1      VAL  33   0.261  -2.549  -3.939
  270   2HG1  VAL  33          2HG1      VAL  33  -0.083  -1.511  -5.323
  271   3HG1  VAL  33          3HG1      VAL  33  -1.067  -2.945  -5.031
  272   1HG2  VAL  33          1HG2      VAL  33  -3.482  -0.642  -4.076
  273   2HG2  VAL  33          2HG2      VAL  33  -2.641  -1.243  -5.505
  274   3HG2  VAL  33          3HG2      VAL  33  -2.235   0.342  -4.845
  275    H    CYS  34           H        CYS  34  -1.154  -4.396  -3.550
  276    HA   CYS  34           HA       CYS  34   0.639  -4.724  -1.169
  277   1HB   CYS  34          2HB       CYS  34  -0.820  -6.981  -2.554
  278   2HB   CYS  34          1HB       CYS  34  -0.065  -6.988  -0.962
  279    H    ASP  35           H        ASP  35   2.480  -6.231  -1.637
  280    HA   ASP  35           HA       ASP  35   3.903  -5.592  -3.996
  281   1HB   ASP  35          2HB       ASP  35   4.006  -7.672  -1.851
  282   2HB   ASP  35          1HB       ASP  35   5.031  -7.909  -3.267
  283    H    GLU  36           H        GLU  36   3.460  -6.188  -6.081
  284    HA   GLU  36           HA       GLU  36   1.450  -7.871  -7.004
  285   1HB   GLU  36          2HB       GLU  36   3.567  -6.396  -8.035
  286   2HB   GLU  36          1HB       GLU  36   3.920  -8.037  -8.577
  287   1HG   GLU  36          2HG       GLU  36   1.675  -8.232  -9.538
  288   2HG   GLU  36          1HG       GLU  36   1.263  -6.622  -8.947
  289    H    GLY  37           H        GLY  37   4.813  -8.799  -6.217
  290   1HA   GLY  37          2HA       GLY  37   4.205 -11.633  -6.762
  291   2HA   GLY  37          1HA       GLY  37   5.772 -10.987  -6.272
  292    H    TYR  38           H        TYR  38   2.578 -10.622  -4.725
  293    HA   TYR  38           HA       TYR  38   3.747 -11.935  -2.295
  294   1HB   TYR  38          2HB       TYR  38   3.002 -10.161  -1.025
  295   2HB   TYR  38          1HB       TYR  38   3.178  -9.311  -2.556
  296    HD1  TYR  38           HD1      TYR  38   1.084  -9.483   0.104
  297    HD2  TYR  38           HD2      TYR  38   0.930  -9.993  -4.159
  298    HE1  TYR  38           HE1      TYR  38  -1.339  -8.958   0.128
  299    HE2  TYR  38           HE2      TYR  38  -1.492  -9.468  -4.136
  300    HH   TYR  38           HH       TYR  38  -3.297  -9.186  -2.821
  301    H    ILE  39           H        ILE  39   1.938 -12.772  -0.807
  302    HA   ILE  39           HA       ILE  39  -0.478 -13.655  -2.325
  303    HB   ILE  39           HB       ILE  39   1.455 -15.403  -0.767
  304   1HG1  ILE  39          2HG1      ILE  39   1.205 -16.358  -3.369
  305   2HG1  ILE  39          1HG1      ILE  39   1.253 -14.608  -3.577
  306   1HG2  ILE  39          1HG2      ILE  39  -0.382 -16.873  -2.385
  307   2HG2  ILE  39          2HG2      ILE  39  -1.314 -15.742  -1.404
  308   3HG2  ILE  39          3HG2      ILE  39  -0.225 -16.892  -0.628
  309   1HD1  ILE  39          1HD1      ILE  39   3.441 -16.328  -3.090
  310   2HD1  ILE  39          2HD1      ILE  39   3.201 -15.409  -1.604
  311   3HD1  ILE  39          3HD1      ILE  39   3.458 -14.564  -3.130
  312    H    GLY  40           H        GLY  40  -2.302 -13.949  -0.987
  313   1HA   GLY  40          2HA       GLY  40  -3.213 -14.404   1.285
  314   2HA   GLY  40          1HA       GLY  40  -1.892 -13.430   1.930
  315    H    ALA  41           H        ALA  41  -4.476 -12.765   2.633
  316    HA   ALA  41           HA       ALA  41  -5.435 -10.620   0.839
  317   1HB   ALA  41          1HB       ALA  41  -6.890 -10.545   3.189
  318   2HB   ALA  41          2HB       ALA  41  -6.371 -12.229   3.116
  319   3HB   ALA  41          3HB       ALA  41  -7.293 -11.532   1.784
  320    H    ARG  42           H        ARG  42  -4.008 -10.943   4.097
  321    HA   ARG  42           HA       ARG  42  -3.899  -8.004   4.421
  322   1HB   ARG  42          2HB       ARG  42  -3.992 -10.339   6.056
  323   2HB   ARG  42          1HB       ARG  42  -2.488  -9.498   6.429
  324   1HG   ARG  42          2HG       ARG  42  -3.805  -8.240   7.795
  325   2HG   ARG  42          1HG       ARG  42  -4.234  -7.402   6.302
  326   1HD   ARG  42          2HD       ARG  42  -6.093  -9.162   6.028
  327   2HD   ARG  42          1HD       ARG  42  -5.783  -9.579   7.725
  328    HE   ARG  42           HE       ARG  42  -6.003  -6.722   7.425
  329   1HH1  ARG  42          1HH2      ARG  42  -8.170  -9.054   6.404
  330   2HH1  ARG  42          2HH2      ARG  42  -9.460  -8.578   7.457
  331   1HH2  ARG  42          1HH1      ARG  42  -7.518  -6.350   9.268
  332   2HH2  ARG  42          2HH1      ARG  42  -9.092  -7.049   9.077
  333    H    CYS  43           H        CYS  43  -2.147  -9.949   2.558
  334    HA   CYS  43           HA       CYS  43   0.029  -9.742   1.642
  335   1HB   CYS  43          2HB       CYS  43   0.423  -7.439   3.559
  336   2HB   CYS  43          1HB       CYS  43   1.078  -7.637   1.935
  337    H    GLU  44           H        GLU  44  -0.292 -11.632   3.645
  338    HA   GLU  44           HA       GLU  44   1.905 -11.222   5.608
  339   1HB   GLU  44          2HB       GLU  44  -0.538 -12.130   5.985
  340   2HB   GLU  44          1HB       GLU  44   0.142 -13.648   5.397
  341   1HG   GLU  44          2HG       GLU  44   1.778 -13.697   7.149
  342   2HG   GLU  44          1HG       GLU  44   1.404 -12.041   7.629
  343    H    ARG  45           H        ARG  45   1.003 -13.306   2.869
  344    HA   ARG  45           HA       ARG  45   3.505 -14.877   3.174
  345   1HB   ARG  45          2HB       ARG  45   0.894 -15.071   1.769
  346   2HB   ARG  45          1HB       ARG  45   2.267 -15.802   0.937
  347   1HG   ARG  45          2HG       ARG  45   2.706 -16.703   3.460
  348   2HG   ARG  45          1HG       ARG  45   0.945 -16.608   3.466
  349   1HD   ARG  45          2HD       ARG  45   0.739 -18.373   2.039
  350   2HD   ARG  45          1HD       ARG  45   2.063 -17.798   1.006
  351    HE   ARG  45           HE       ARG  45   2.590 -19.104   3.650
  352   1HH1  ARG  45          1HH2      ARG  45   4.489 -17.754   1.462
  353   2HH1  ARG  45          2HH2      ARG  45   5.265 -19.187   0.877
  354   1HH2  ARG  45          1HH1      ARG  45   3.017 -21.346   2.395
  355   2HH2  ARG  45          2HH1      ARG  45   4.433 -21.220   1.405
  356    H    VAL  46           H        VAL  46   5.015 -15.035   1.350
  357    HA   VAL  46           HA       VAL  46   4.812 -12.893  -0.712
  358    HB   VAL  46           HB       VAL  46   5.988 -12.004   1.295
  359   1HG1  VAL  46          1HG1      VAL  46   6.924 -14.004   2.237
  360   2HG1  VAL  46          2HG1      VAL  46   8.287 -13.000   1.741
  361   3HG1  VAL  46          3HG1      VAL  46   7.795 -14.372   0.748
  362   1HG2  VAL  46          1HG2      VAL  46   7.776 -11.029   0.094
  363   2HG2  VAL  46          2HG2      VAL  46   6.622 -11.469  -1.164
  364   3HG2  VAL  46          3HG2      VAL  46   8.035 -12.482  -0.871
  365    H    ASP  47           H        ASP  47   6.169 -13.324  -2.564
  366    HA   ASP  47           HA       ASP  47   7.329 -16.092  -2.635
  367   1HB   ASP  47          2HB       ASP  47   5.067 -15.348  -3.859
  368   2HB   ASP  47          1HB       ASP  47   6.211 -14.772  -5.073
  369    H    LEU  48           H        LEU  48   9.054 -14.087  -1.953
  370    HA   LEU  48           HA       LEU  48  10.494 -13.447  -4.507
  371   1HB   LEU  48          2HB       LEU  48   9.407 -11.694  -2.760
  372   2HB   LEU  48          1HB       LEU  48  10.986 -11.910  -2.003
  373    HG   LEU  48           HG       LEU  48  11.739 -11.638  -4.592
  374   1HD1  LEU  48          1HD1      LEU  48  10.419  -9.879  -5.640
  375   2HD1  LEU  48          2HD1      LEU  48   9.351  -9.803  -4.239
  376   3HD1  LEU  48          3HD1      LEU  48   9.360 -11.238  -5.264
  377   1HD2  LEU  48          1HD2      LEU  48  12.604  -9.569  -3.926
  378   2HD2  LEU  48          2HD2      LEU  48  12.300 -10.342  -2.370
  379   3HD2  LEU  48          3HD2      LEU  48  11.161  -9.152  -3.001
  380    H    PHE  49           H        PHE  49  10.875 -14.269  -1.056
  381    HA   PHE  49           HA       PHE  49  13.737 -14.908  -1.445
  382   1HB   PHE  49          2HB       PHE  49  11.852 -15.063   0.932
  383   2HB   PHE  49          1HB       PHE  49  13.598 -15.291   1.013
  384    HD1  PHE  49           HD1      PHE  49  10.881 -12.869   0.684
  385    HD2  PHE  49           HD2      PHE  49  15.139 -13.405   0.517
  386    HE1  PHE  49           HE1      PHE  49  11.196 -10.415   0.852
  387    HE2  PHE  49           HE2      PHE  49  15.455 -10.951   0.684
  388    HZ   PHE  49           HZ       PHE  49  13.484  -9.456   0.851
  389    H    TYR  50           H        TYR  50  11.468 -16.513  -2.717
  390    HA   TYR  50           HA       TYR  50  11.075 -19.009  -1.444
  391   1HB   TYR  50          2HB       TYR  50  10.811 -19.764  -3.882
  392   2HB   TYR  50          1HB       TYR  50   9.820 -18.393  -3.384
  393    HD1  TYR  50           HD1      TYR  50  13.277 -19.039  -4.710
  394    HD2  TYR  50           HD2      TYR  50   9.781 -16.544  -4.793
  395    HE1  TYR  50           HE1      TYR  50  14.316 -17.643  -6.477
  396    HE2  TYR  50           HE2      TYR  50  10.819 -15.148  -6.560
  397    HH   TYR  50           HH       TYR  50  13.987 -15.104  -7.241
  Start of MODEL    6
    1   1H    ARG   1          H1        ARG   1   2.697   5.762 -14.327
    2   2H    ARG   1          H2        ARG   1   1.659   7.099 -14.468
    3   3H    ARG   1          H3        ARG   1   2.349   6.710 -12.966
    4    HA   ARG   1           HA       ARG   1   4.529   7.312 -13.715
    5   1HB   ARG   1          2HB       ARG   1   4.721   8.061 -16.119
    6   2HB   ARG   1          1HB       ARG   1   4.298   6.358 -15.936
    7   1HG   ARG   1          2HG       ARG   1   2.122   6.675 -16.657
    8   2HG   ARG   1          1HG       ARG   1   2.074   8.350 -16.108
    9   1HD   ARG   1          2HD       ARG   1   4.109   8.020 -18.155
   10   2HD   ARG   1          1HD       ARG   1   2.523   7.485 -18.745
   11    HE   ARG   1           HE       ARG   1   1.623   9.697 -17.967
   12   1HH1  ARG   1          1HH2      ARG   1   3.439  10.285 -20.239
   13   2HH1  ARG   1          2HH2      ARG   1   4.474  11.513 -19.589
   14   1HH2  ARG   1          1HH1      ARG   1   3.638  10.845 -16.291
   15   2HH2  ARG   1          2HH1      ARG   1   4.585  11.831 -17.353
   16    H    LYS   2           H        LYS   2   1.542   8.585 -13.301
   17    HA   LYS   2           HA       LYS   2   2.612  11.333 -13.014
   18   1HB   LYS   2          2HB       LYS   2   1.661  10.850 -15.381
   19   2HB   LYS   2          1HB       LYS   2   0.084  10.844 -14.590
   20   1HG   LYS   2          2HG       LYS   2   0.245  13.101 -13.965
   21   2HG   LYS   2          1HG       LYS   2   2.000  13.122 -14.143
   22   1HD   LYS   2          2HD       LYS   2   1.896  13.518 -16.383
   23   2HD   LYS   2          1HD       LYS   2   0.514  12.442 -16.605
   24   1HE   LYS   2          2HE       LYS   2  -1.014  14.130 -16.294
   25   2HE   LYS   2          1HE       LYS   2  -0.011  14.946 -15.079
   26   1HZ   LYS   2          1HZ       LYS   2   0.329  16.323 -16.853
   27   2HZ   LYS   2          2HZ       LYS   2   0.132  15.090 -18.005
   28   3HZ   LYS   2          3HZ       LYS   2   1.581  15.212 -17.128
   29    H    GLY   3           H        GLY   3   1.995  11.803 -10.936
   30   1HA   GLY   3          2HA       GLY   3  -0.701  12.039 -10.117
   31   2HA   GLY   3          1HA       GLY   3  -0.124  10.473  -9.545
   32    H    HIS   4           H        HIS   4  -0.793  12.156  -7.577
   33    HA   HIS   4           HA       HIS   4   1.762  12.662  -6.231
   34   1HB   HIS   4          2HB       HIS   4   1.294  15.103  -5.976
   35   2HB   HIS   4          1HB       HIS   4   1.535  14.643  -7.662
   36    HD1  HIS   4           HD1      HIS   4   0.006  17.061  -7.682
   37    HD2  HIS   4           HD2      HIS   4  -1.920  13.460  -6.846
   38    HE1  HIS   4           HE1      HIS   4  -2.458  17.447  -8.124
   39    H    PHE   5           H        PHE   5   0.387  10.988  -4.983
   40    HA   PHE   5           HA       PHE   5  -1.691  12.316  -3.287
   41   1HB   PHE   5          2HB       PHE   5  -1.054   9.387  -3.775
   42   2HB   PHE   5          1HB       PHE   5  -2.451  10.011  -2.898
   43    HD1  PHE   5           HD1      PHE   5  -3.920  11.769  -4.208
   44    HD2  PHE   5           HD2      PHE   5  -1.261   8.952  -6.062
   45    HE1  PHE   5           HE1      PHE   5  -5.163  12.001  -6.342
   46    HE2  PHE   5           HE2      PHE   5  -2.503   9.183  -8.195
   47    HZ   PHE   5           HZ       PHE   5  -4.454  10.708  -8.336
   48    H    SER   6           H        SER   6  -1.498  10.272  -1.229
   49    HA   SER   6           HA       SER   6   1.167  10.957  -0.031
   50   1HB   SER   6          2HB       SER   6  -1.501  10.632   1.370
   51   2HB   SER   6          1HB       SER   6  -0.006  11.241   2.073
   52    HG   SER   6           HG       SER   6  -1.586  12.855   1.353
   53    H    ARG   7           H        ARG   7   2.318   9.194   0.677
   54    HA   ARG   7           HA       ARG   7   1.078   6.513   0.462
   55   1HB   ARG   7          2HB       ARG   7   3.273   7.030  -0.548
   56   2HB   ARG   7          1HB       ARG   7   3.904   7.463   1.041
   57   1HG   ARG   7          2HG       ARG   7   2.742   4.914   1.355
   58   2HG   ARG   7          1HG       ARG   7   3.650   4.842  -0.155
   59   1HD   ARG   7          2HD       ARG   7   4.953   6.131   2.222
   60   2HD   ARG   7          1HD       ARG   7   4.886   4.360   2.137
   61    HE   ARG   7           HE       ARG   7   5.826   4.724  -0.270
   62   1HH1  ARG   7          1HH1      ARG   7   7.191   5.557   2.635
   63   2HH1  ARG   7          2HH1      ARG   7   8.379   6.639   1.991
   64   1HH2  ARG   7          1HH2      ARG   7   7.028   6.643  -1.202
   65   2HH2  ARG   7          2HH2      ARG   7   8.286   7.256  -0.182
   66    H    CYS   8           H        CYS   8   0.862   5.103   2.246
   67    HA   CYS   8           HA       CYS   8   0.769   6.389   4.898
   68   1HB   CYS   8          2HB       CYS   8  -0.550   4.313   3.479
   69   2HB   CYS   8          1HB       CYS   8   0.224   3.558   4.872
   70    HA   PRO   9           HA       PRO   9   4.741   4.840   6.063
   71   1HB   PRO   9          2HB       PRO   9   4.507   5.232   8.761
   72   2HB   PRO   9          1HB       PRO   9   4.783   6.559   7.614
   73   1HG   PRO   9          2HG       PRO   9   2.264   5.694   8.937
   74   2HG   PRO   9          1HG       PRO   9   2.843   7.324   8.568
   75   1HD   PRO   9          2HD       PRO   9   0.956   6.011   7.089
   76   2HD   PRO   9          1HD       PRO   9   2.024   7.272   6.436
   77    H    LYS  10           H        LYS  10   5.629   3.097   7.548
   78    HA   LYS  10           HA       LYS  10   4.140   0.668   7.370
   79   1HB   LYS  10          2HB       LYS  10   6.455   1.476   9.163
   80   2HB   LYS  10          1HB       LYS  10   5.987  -0.183   8.791
   81   1HG   LYS  10          2HG       LYS  10   6.722  -0.046   6.593
   82   2HG   LYS  10          1HG       LYS  10   6.514   1.704   6.525
   83   1HD   LYS  10          2HD       LYS  10   8.904   1.134   6.585
   84   2HD   LYS  10          1HD       LYS  10   8.439   1.981   8.061
   85   1HE   LYS  10          2HE       LYS  10   8.181  -0.238   9.203
   86   2HE   LYS  10          1HE       LYS  10   8.806  -1.018   7.736
   87   1HZ   LYS  10          1HZ       LYS  10  10.254   1.253   8.927
   88   2HZ   LYS  10          2HZ       LYS  10  10.849  -0.002   7.948
   89   3HZ   LYS  10          3HZ       LYS  10  10.462  -0.300   9.575
   90    H    GLN  11           H        GLN  11   4.331   3.133   9.875
   91    HA   GLN  11           HA       GLN  11   3.224   1.611  12.048
   92   1HB   GLN  11          2HB       GLN  11   3.949   4.349  11.353
   93   2HB   GLN  11          1HB       GLN  11   2.490   4.300  12.343
   94   1HG   GLN  11          2HG       GLN  11   4.724   2.523  13.181
   95   2HG   GLN  11          1HG       GLN  11   4.962   4.256  13.413
   96   1HE2  GLN  11          1HE2      GLN  11   4.746   2.718  15.717
   97   2HE2  GLN  11          2HE2      GLN  11   3.244   2.979  16.462
   98    H    TYR  12           H        TYR  12   1.781   3.327   9.328
   99    HA   TYR  12           HA       TYR  12  -0.951   2.948  10.450
  100   1HB   TYR  12          2HB       TYR  12   0.425   4.671   8.481
  101   2HB   TYR  12          1HB       TYR  12  -1.204   4.181   8.014
  102    HD1  TYR  12           HD1      TYR  12   0.685   6.515   9.892
  103    HD2  TYR  12           HD2      TYR  12  -3.027   4.353   9.920
  104    HE1  TYR  12           HE1      TYR  12  -0.270   8.176  11.467
  105    HE2  TYR  12           HE2      TYR  12  -3.982   6.014  11.495
  106    HH   TYR  12           HH       TYR  12  -2.802   7.706  13.318
  107    H    LYS  13           H        LYS  13   1.142   1.023   8.855
  108    HA   LYS  13           HA       LYS  13  -0.681   0.045   6.741
  109   1HB   LYS  13          2HB       LYS  13   2.067   0.200   7.138
  110   2HB   LYS  13          1HB       LYS  13   1.718  -1.513   7.372
  111   1HG   LYS  13          2HG       LYS  13   1.403  -1.811   5.163
  112   2HG   LYS  13          1HG       LYS  13   0.233  -0.491   5.109
  113   1HD   LYS  13          2HD       LYS  13   1.961   0.233   3.671
  114   2HD   LYS  13          1HD       LYS  13   2.296   1.072   5.187
  115   1HE   LYS  13          2HE       LYS  13   4.182  -0.187   5.626
  116   2HE   LYS  13          1HE       LYS  13   3.532  -1.627   4.817
  117   1HZ   LYS  13          1HZ       LYS  13   4.825   0.732   3.651
  118   2HZ   LYS  13          2HZ       LYS  13   3.597  -0.027   2.757
  119   3HZ   LYS  13          3HZ       LYS  13   4.977  -0.902   3.221
  120    H    HIS  14           H        HIS  14  -1.977  -0.287   9.155
  121    HA   HIS  14           HA       HIS  14  -1.392  -2.960  10.256
  122   1HB   HIS  14          2HB       HIS  14  -3.021  -0.586  10.861
  123   2HB   HIS  14          1HB       HIS  14  -3.818  -2.110  11.247
  124    HD1  HIS  14           HD1      HIS  14  -2.692  -0.096  13.424
  125    HD2  HIS  14           HD2      HIS  14  -0.753  -3.530  12.072
  126    HE1  HIS  14           HE1      HIS  14  -1.068  -0.767  15.248
  127    H    TYR  15           H        TYR  15  -3.413  -1.511   7.842
  128    HA   TYR  15           HA       TYR  15  -5.201  -3.868   7.690
  129   1HB   TYR  15          2HB       TYR  15  -6.156  -2.453   5.777
  130   2HB   TYR  15          1HB       TYR  15  -6.246  -1.732   7.382
  131    HD1  TYR  15           HD1      TYR  15  -5.604   0.489   7.564
  132    HD2  TYR  15           HD2      TYR  15  -3.788  -1.965   4.543
  133    HE1  TYR  15           HE1      TYR  15  -4.301   2.441   6.764
  134    HE2  TYR  15           HE2      TYR  15  -2.485  -0.013   3.741
  135    HH   TYR  15           HH       TYR  15  -1.654   2.196   4.787
  136    H    CYS  16           H        CYS  16  -2.101  -3.267   6.771
  137    HA   CYS  16           HA       CYS  16  -2.186  -5.315   4.656
  138   1HB   CYS  16          2HB       CYS  16  -1.873  -2.382   4.175
  139   2HB   CYS  16          1HB       CYS  16  -0.871  -3.471   3.216
  140    H    ILE  17           H        ILE  17  -0.424  -6.561   5.195
  141    HA   ILE  17           HA       ILE  17   1.743  -5.561   6.850
  142    HB   ILE  17           HB       ILE  17   1.220  -8.094   5.276
  143   1HG1  ILE  17          2HG1      ILE  17  -0.238  -7.768   7.197
  144   2HG1  ILE  17          1HG1      ILE  17   0.945  -9.013   7.597
  145   1HG2  ILE  17          1HG2      ILE  17   3.724  -7.149   6.188
  146   2HG2  ILE  17          2HG2      ILE  17   3.335  -8.780   5.640
  147   3HG2  ILE  17          3HG2      ILE  17   3.211  -8.371   7.351
  148   1HD1  ILE  17          1HD1      ILE  17   2.360  -7.143   8.617
  149   2HD1  ILE  17          2HD1      ILE  17   0.884  -7.558   9.488
  150   3HD1  ILE  17          3HD1      ILE  17   0.932  -6.118   8.471
  151    H    LYS  18           H        LYS  18   2.336  -7.338   3.839
  152    HA   LYS  18           HA       LYS  18   4.494  -5.413   3.178
  153   1HB   LYS  18          2HB       LYS  18   5.211  -7.187   1.667
  154   2HB   LYS  18          1HB       LYS  18   4.808  -7.904   3.227
  155   1HG   LYS  18          2HG       LYS  18   2.414  -8.157   2.151
  156   2HG   LYS  18          1HG       LYS  18   3.306  -8.045   0.635
  157   1HD   LYS  18          2HD       LYS  18   3.646 -10.088   2.840
  158   2HD   LYS  18          1HD       LYS  18   3.204 -10.375   1.157
  159   1HE   LYS  18          2HE       LYS  18   5.880  -9.263   2.076
  160   2HE   LYS  18          1HE       LYS  18   5.591 -10.936   1.561
  161   1HZ   LYS  18          1HZ       LYS  18   4.812 -10.153  -0.559
  162   2HZ   LYS  18          2HZ       LYS  18   6.357  -9.505  -0.276
  163   3HZ   LYS  18          3HZ       LYS  18   4.977  -8.535  -0.078
  164    H    GLY  19           H        GLY  19   2.440  -3.909   2.745
  165   1HA   GLY  19          2HA       GLY  19   2.146  -3.812  -0.183
  166   2HA   GLY  19          1HA       GLY  19   0.644  -4.004   0.725
  167    H    ARG  20           H        ARG  20   1.754  -1.690  -0.896
  168    HA   ARG  20           HA       ARG  20   2.055   0.409   1.185
  169   1HB   ARG  20          2HB       ARG  20   2.552   0.081  -1.737
  170   2HB   ARG  20          1HB       ARG  20   2.163   1.708  -1.179
  171   1HG   ARG  20          2HG       ARG  20   4.356   1.870  -0.646
  172   2HG   ARG  20          1HG       ARG  20   3.964   0.832   0.724
  173   1HD   ARG  20          2HD       ARG  20   4.869  -1.056  -0.272
  174   2HD   ARG  20          1HD       ARG  20   4.522  -0.479  -1.915
  175    HE   ARG  20           HE       ARG  20   6.319   1.346  -1.283
  176   1HH1  ARG  20          1HH2      ARG  20   6.758  -0.565   1.195
  177   2HH1  ARG  20          2HH2      ARG  20   8.245  -1.308   0.710
  178   1HH2  ARG  20          1HH1      ARG  20   8.032  -0.208  -2.572
  179   2HH2  ARG  20          2HH1      ARG  20   8.966  -1.106  -1.423
  180    H    CYS  21           H        CYS  21   0.590   2.228   1.262
  181    HA   CYS  21           HA       CYS  21  -2.040   1.784  -0.115
  182   1HB   CYS  21          2HB       CYS  21  -2.286   1.062   2.156
  183   2HB   CYS  21          1HB       CYS  21  -1.376   2.444   2.764
  184    H    ARG  22           H        ARG  22  -2.644   3.576  -1.258
  185    HA   ARG  22           HA       ARG  22  -1.273   6.168  -0.668
  186   1HB   ARG  22          2HB       ARG  22  -2.694   5.010  -3.085
  187   2HB   ARG  22          1HB       ARG  22  -2.094   6.668  -3.020
  188   1HG   ARG  22          2HG       ARG  22   0.013   4.990  -2.116
  189   2HG   ARG  22          1HG       ARG  22  -0.629   4.264  -3.589
  190   1HD   ARG  22          2HD       ARG  22   0.357   5.865  -4.849
  191   2HD   ARG  22          1HD       ARG  22  -0.439   7.139  -3.905
  192    HE   ARG  22           HE       ARG  22   1.731   5.909  -2.425
  193   1HH1  ARG  22          1HH1      ARG  22   0.800   8.875  -2.766
  194   2HH1  ARG  22          2HH1      ARG  22   2.242   9.559  -3.439
  195   1HH2  ARG  22          1HH2      ARG  22   3.659   6.488  -4.201
  196   2HH2  ARG  22          2HH2      ARG  22   3.861   8.207  -4.251
  197    H    PHE  23           H        PHE  23  -2.553   7.316   0.763
  198    HA   PHE  23           HA       PHE  23  -5.510   7.198   0.526
  199   1HB   PHE  23          2HB       PHE  23  -3.959   7.104   2.655
  200   2HB   PHE  23          1HB       PHE  23  -3.948   8.861   2.486
  201    HD1  PHE  23           HD1      PHE  23  -6.468   9.765   1.785
  202    HD2  PHE  23           HD2      PHE  23  -5.544   6.305   4.156
  203    HE1  PHE  23           HE1      PHE  23  -8.712   9.882   2.828
  204    HE2  PHE  23           HE2      PHE  23  -7.790   6.422   5.202
  205    HZ   PHE  23           HZ       PHE  23  -9.375   8.211   4.539
  206    H    VAL  24           H        VAL  24  -6.354   8.599  -0.981
  207    HA   VAL  24           HA       VAL  24  -4.982  11.071  -1.742
  208    HB   VAL  24           HB       VAL  24  -7.800  10.185  -2.402
  209   1HG1  VAL  24          1HG1      VAL  24  -7.550  12.204  -3.467
  210   2HG1  VAL  24          2HG1      VAL  24  -6.750  11.193  -4.671
  211   3HG1  VAL  24          3HG1      VAL  24  -5.790  12.090  -3.494
  212   1HG2  VAL  24          1HG2      VAL  24  -6.725   8.235  -3.015
  213   2HG2  VAL  24          2HG2      VAL  24  -5.163   9.033  -3.202
  214   3HG2  VAL  24          3HG2      VAL  24  -6.390   9.195  -4.457
  215    H    VAL  25           H        VAL  25  -5.104  12.835  -0.417
  216    HA   VAL  25           HA       VAL  25  -7.232  13.166   1.561
  217    HB   VAL  25           HB       VAL  25  -5.108  15.123   0.635
  218   1HG1  VAL  25          1HG1      VAL  25  -5.850  14.839   3.484
  219   2HG1  VAL  25          2HG1      VAL  25  -7.129  15.463   2.441
  220   3HG1  VAL  25          3HG1      VAL  25  -5.578  16.298   2.531
  221   1HG2  VAL  25          1HG2      VAL  25  -3.726  14.077   2.473
  222   2HG2  VAL  25          2HG2      VAL  25  -3.987  13.025   1.081
  223   3HG2  VAL  25          3HG2      VAL  25  -4.923  12.785   2.558
  224    H    ALA  26           H        ALA  26  -6.096  15.422  -0.993
  225    HA   ALA  26           HA       ALA  26  -8.225  17.179  -1.113
  226   1HB   ALA  26          1HB       ALA  26  -6.056  16.959  -2.519
  227   2HB   ALA  26          2HB       ALA  26  -7.473  17.636  -3.323
  228   3HB   ALA  26          3HB       ALA  26  -7.020  15.954  -3.602
  229    H    GLU  27           H        GLU  27  -8.105  13.882  -2.357
  230    HA   GLU  27           HA       GLU  27 -11.042  14.044  -2.957
  231   1HB   GLU  27          2HB       GLU  27  -8.775  13.396  -4.591
  232   2HB   GLU  27          1HB       GLU  27  -9.733  11.930  -4.380
  233   1HG   GLU  27          2HG       GLU  27 -11.607  12.841  -5.407
  234   2HG   GLU  27          1HG       GLU  27 -11.145  14.497  -5.015
  235    H    GLN  28           H        GLN  28 -11.494  13.265  -0.789
  236    HA   GLN  28           HA       GLN  28 -10.465  11.297   0.768
  237   1HB   GLN  28          2HB       GLN  28 -12.628  12.596   1.010
  238   2HB   GLN  28          1HB       GLN  28 -13.387  11.386  -0.026
  239   1HG   GLN  28          2HG       GLN  28 -13.086   9.665   1.552
  240   2HG   GLN  28          1HG       GLN  28 -11.838  10.558   2.423
  241   1HE2  GLN  28          1HE2      GLN  28 -15.333  10.888   1.561
  242   2HE2  GLN  28          2HE2      GLN  28 -15.773  11.613   3.031
  243    H    THR  29           H        THR  29  -9.306   9.705  -0.496
  244    HA   THR  29           HA       THR  29 -11.041   7.468  -1.407
  245    HB   THR  29           HB       THR  29  -9.008   8.950  -3.101
  246    HG1  THR  29           1HG      THR  29 -10.713   9.679  -4.092
  247   1HG2  THR  29          1HG2      THR  29  -9.734   6.168  -3.118
  248   2HG2  THR  29          2HG2      THR  29  -8.616   7.022  -4.183
  249   3HG2  THR  29          3HG2      THR  29 -10.331   6.936  -4.590
  250    HA   PRO  30           HA       PRO  30  -7.347   6.026   0.862
  251   1HB   PRO  30          2HB       PRO  30  -8.648   4.023   2.192
  252   2HB   PRO  30          1HB       PRO  30  -8.622   5.703   2.763
  253   1HG   PRO  30          2HG       PRO  30 -10.773   4.214   1.362
  254   2HG   PRO  30          1HG       PRO  30 -10.889   5.455   2.617
  255   1HD   PRO  30          2HD       PRO  30 -11.321   5.897  -0.068
  256   2HD   PRO  30          1HD       PRO  30 -10.874   7.155   1.106
  257    H    SER  31           H        SER  31  -6.153   4.943  -0.703
  258    HA   SER  31           HA       SER  31  -7.326   2.451  -1.888
  259   1HB   SER  31          2HB       SER  31  -6.579   4.516  -3.269
  260   2HB   SER  31          1HB       SER  31  -4.936   4.007  -2.886
  261    HG   SER  31           HG       SER  31  -5.191   2.694  -4.504
  262    H    CYS  32           H        CYS  32  -6.171   0.515  -1.655
  263    HA   CYS  32           HA       CYS  32  -3.578   0.661  -0.151
  264   1HB   CYS  32          2HB       CYS  32  -4.439  -1.426   1.005
  265   2HB   CYS  32          1HB       CYS  32  -5.351   0.040   1.369
  266    H    VAL  33           H        VAL  33  -2.224   0.153  -1.905
  267    HA   VAL  33           HA       VAL  33  -2.880  -2.237  -3.563
  268    HB   VAL  33           HB       VAL  33  -0.684  -0.155  -3.806
  269   1HG1  VAL  33          1HG1      VAL  33  -0.268  -1.029  -5.936
  270   2HG1  VAL  33          2HG1      VAL  33  -1.854  -1.792  -6.041
  271   3HG1  VAL  33          3HG1      VAL  33  -0.607  -2.488  -5.005
  272   1HG2  VAL  33          1HG2      VAL  33  -3.431  -0.288  -5.094
  273   2HG2  VAL  33          2HG2      VAL  33  -2.174   0.877  -5.507
  274   3HG2  VAL  33          3HG2      VAL  33  -2.903   0.899  -3.902
  275    H    CYS  34           H        CYS  34  -1.901  -4.158  -3.033
  276    HA   CYS  34           HA       CYS  34   0.357  -4.154  -1.108
  277   1HB   CYS  34          2HB       CYS  34  -1.257  -6.405  -2.348
  278   2HB   CYS  34          1HB       CYS  34  -0.190  -6.538  -0.950
  279    H    ASP  35           H        ASP  35   2.292  -5.475  -1.571
  280    HA   ASP  35           HA       ASP  35   3.567  -4.950  -4.028
  281   1HB   ASP  35          2HB       ASP  35   3.922  -6.640  -1.652
  282   2HB   ASP  35          1HB       ASP  35   4.688  -7.310  -3.093
  283    H    GLU  36           H        GLU  36   2.933  -5.660  -6.040
  284    HA   GLU  36           HA       GLU  36   1.058  -7.664  -6.620
  285   1HB   GLU  36          2HB       GLU  36   1.930  -7.507  -8.881
  286   2HB   GLU  36          1HB       GLU  36   2.027  -5.909  -8.145
  287   1HG   GLU  36          2HG       GLU  36   4.380  -7.769  -7.961
  288   2HG   GLU  36          1HG       GLU  36   4.101  -6.861  -9.442
  289    H    GLY  37           H        GLY  37   4.492  -7.996  -5.906
  290   1HA   GLY  37          2HA       GLY  37   4.460 -10.861  -6.638
  291   2HA   GLY  37          1HA       GLY  37   5.868  -9.953  -6.084
  292    H    TYR  38           H        TYR  38   2.719  -9.975  -4.488
  293    HA   TYR  38           HA       TYR  38   4.039 -11.278  -2.134
  294   1HB   TYR  38          2HB       TYR  38   3.007  -9.693  -0.811
  295   2HB   TYR  38          1HB       TYR  38   3.099  -8.769  -2.305
  296    HD1  TYR  38           HD1      TYR  38   0.994  -9.423   0.292
  297    HD2  TYR  38           HD2      TYR  38   0.998  -9.592  -3.999
  298    HE1  TYR  38           HE1      TYR  38  -1.476  -9.217   0.279
  299    HE2  TYR  38           HE2      TYR  38  -1.470  -9.385  -4.011
  300    HH   TYR  38           HH       TYR  38  -3.376 -10.025  -2.107
  301    H    ILE  39           H        ILE  39   2.305 -12.357  -0.655
  302    HA   ILE  39           HA       ILE  39   0.030 -13.523  -2.170
  303    HB   ILE  39           HB       ILE  39   2.449 -14.982  -1.088
  304   1HG1  ILE  39          2HG1      ILE  39   0.986 -15.009  -3.748
  305   2HG1  ILE  39          1HG1      ILE  39   2.539 -14.236  -3.428
  306   1HG2  ILE  39          1HG2      ILE  39  -0.175 -16.232  -1.954
  307   2HG2  ILE  39          2HG2      ILE  39   0.326 -16.051  -0.272
  308   3HG2  ILE  39          3HG2      ILE  39   1.256 -17.077  -1.363
  309   1HD1  ILE  39          1HD1      ILE  39   2.033 -17.197  -3.037
  310   2HD1  ILE  39          2HD1      ILE  39   3.587 -16.365  -2.979
  311   3HD1  ILE  39          3HD1      ILE  39   2.720 -16.511  -4.509
  312    H    GLY  40           H        GLY  40  -1.519 -14.568  -0.726
  313   1HA   GLY  40          2HA       GLY  40  -2.137 -15.283   1.556
  314   2HA   GLY  40          1HA       GLY  40  -1.048 -14.043   2.178
  315    H    ALA  41           H        ALA  41  -3.584 -13.997   3.152
  316    HA   ALA  41           HA       ALA  41  -5.279 -12.197   1.551
  317   1HB   ALA  41          1HB       ALA  41  -6.893 -12.763   3.123
  318   2HB   ALA  41          2HB       ALA  41  -5.729 -12.820   4.446
  319   3HB   ALA  41          3HB       ALA  41  -5.815 -14.148   3.290
  320    H    ARG  42           H        ARG  42  -3.441 -12.019   4.620
  321    HA   ARG  42           HA       ARG  42  -3.929  -9.106   4.811
  322   1HB   ARG  42          2HB       ARG  42  -2.689 -11.281   6.480
  323   2HB   ARG  42          1HB       ARG  42  -2.371  -9.592   6.877
  324   1HG   ARG  42          2HG       ARG  42  -5.203 -10.424   6.381
  325   2HG   ARG  42          1HG       ARG  42  -4.457 -10.860   7.920
  326   1HD   ARG  42          2HD       ARG  42  -4.812  -8.752   8.664
  327   2HD   ARG  42          1HD       ARG  42  -3.785  -8.130   7.357
  328    HE   ARG  42           HE       ARG  42  -5.834  -8.196   5.895
  329   1HH1  ARG  42          1HH1      ARG  42  -7.566  -9.782   7.770
  330   2HH1  ARG  42          2HH1      ARG  42  -8.558  -8.548   8.472
  331   1HH2  ARG  42          1HH2      ARG  42  -6.493  -5.948   7.470
  332   2HH2  ARG  42          2HH2      ARG  42  -7.950  -6.376   8.302
  333    H    CYS  43           H        CYS  43  -2.005 -10.742   2.836
  334    HA   CYS  43           HA       CYS  43  -0.042 -10.108   1.668
  335   1HB   CYS  43          2HB       CYS  43   0.151  -7.752   3.549
  336   2HB   CYS  43          1HB       CYS  43   0.617  -7.842   1.854
  337    H    GLU  44           H        GLU  44   0.187 -11.991   3.726
  338    HA   GLU  44           HA       GLU  44   2.544 -11.153   5.350
  339   1HB   GLU  44          2HB       GLU  44   0.884 -13.691   5.433
  340   2HB   GLU  44          1HB       GLU  44   1.980 -13.100   6.682
  341   1HG   GLU  44          2HG       GLU  44   0.540 -11.061   6.906
  342   2HG   GLU  44          1HG       GLU  44  -0.598 -11.789   5.773
  343    H    ARG  45           H        ARG  45   1.536 -13.606   2.963
  344    HA   ARG  45           HA       ARG  45   4.175 -14.890   2.957
  345   1HB   ARG  45          2HB       ARG  45   1.718 -15.151   1.194
  346   2HB   ARG  45          1HB       ARG  45   3.097 -16.252   1.175
  347   1HG   ARG  45          2HG       ARG  45   2.504 -16.205   3.842
  348   2HG   ARG  45          1HG       ARG  45   0.898 -16.025   3.135
  349   1HD   ARG  45          2HD       ARG  45   1.900 -17.999   1.545
  350   2HD   ARG  45          1HD       ARG  45   2.725 -18.360   3.074
  351    HE   ARG  45           HE       ARG  45   0.322 -18.068   4.083
  352   1HH1  ARG  45          1HH2      ARG  45   1.282 -20.637   2.488
  353   2HH1  ARG  45          2HH2      ARG  45  -0.205 -21.029   1.689
  354   1HH2  ARG  45          1HH1      ARG  45  -1.693 -17.975   2.390
  355   2HH2  ARG  45          2HH1      ARG  45  -1.889 -19.521   1.634
  356    H    VAL  46           H        VAL  46   5.244 -15.184   0.714
  357    HA   VAL  46           HA       VAL  46   4.986 -12.787  -1.036
  358    HB   VAL  46           HB       VAL  46   6.625 -12.224   0.699
  359   1HG1  VAL  46          1HG1      VAL  46   7.137 -14.686   1.174
  360   2HG1  VAL  46          2HG1      VAL  46   8.521 -13.592   1.187
  361   3HG1  VAL  46          3HG1      VAL  46   8.226 -14.624  -0.213
  362   1HG2  VAL  46          1HG2      VAL  46   8.318 -12.969  -1.668
  363   2HG2  VAL  46          2HG2      VAL  46   8.303 -11.470  -0.738
  364   3HG2  VAL  46          3HG2      VAL  46   7.004 -11.814  -1.880
  365    H    ASP  47           H        ASP  47   5.863 -13.172  -3.168
  366    HA   ASP  47           HA       ASP  47   6.659 -16.017  -3.704
  367   1HB   ASP  47          2HB       ASP  47   4.249 -14.900  -4.294
  368   2HB   ASP  47          1HB       ASP  47   5.144 -14.508  -5.762
  369    H    LEU  48           H        LEU  48   8.602 -14.014  -3.360
  370    HA   LEU  48           HA       LEU  48   9.575 -13.669  -6.169
  371   1HB   LEU  48          2HB       LEU  48   8.527 -11.623  -4.943
  372   2HB   LEU  48          1HB       LEU  48  10.015 -11.629  -3.994
  373    HG   LEU  48           HG       LEU  48  10.871 -11.925  -6.639
  374   1HD1  LEU  48          1HD1      LEU  48   8.358 -10.373  -6.462
  375   2HD1  LEU  48          2HD1      LEU  48   9.102 -11.154  -7.856
  376   3HD1  LEU  48          3HD1      LEU  48   9.671  -9.572  -7.324
  377   1HD2  LEU  48          1HD2      LEU  48  12.095 -10.631  -5.044
  378   2HD2  LEU  48          2HD2      LEU  48  10.720  -9.566  -4.749
  379   3HD2  LEU  48          3HD2      LEU  48  11.581  -9.490  -6.287
  380    H    PHE  49           H        PHE  49  10.547 -13.447  -2.727
  381    HA   PHE  49           HA       PHE  49  13.356 -13.845  -3.235
  382   1HB   PHE  49          2HB       PHE  49  11.462 -13.762  -0.946
  383   2HB   PHE  49          1HB       PHE  49  12.988 -14.597  -0.654
  384    HD1  PHE  49           HD1      PHE  49  14.518 -13.207   0.424
  385    HD2  PHE  49           HD2      PHE  49  12.016 -11.578  -2.663
  386    HE1  PHE  49           HE1      PHE  49  15.674 -11.022   0.640
  387    HE2  PHE  49           HE2      PHE  49  13.171  -9.394  -2.449
  388    HZ   PHE  49           HZ       PHE  49  14.999  -9.116  -0.797
  389    H    TYR  50           H        TYR  50  10.680 -16.064  -2.481
  390    HA   TYR  50           HA       TYR  50  12.209 -18.417  -1.978
  391   1HB   TYR  50          2HB       TYR  50   9.445 -17.771  -2.977
  392   2HB   TYR  50          1HB       TYR  50   9.982 -19.449  -2.936
  393    HD1  TYR  50           HD1      TYR  50   9.563 -20.657  -0.994
  394    HD2  TYR  50           HD2      TYR  50  10.078 -16.399  -0.742
  395    HE1  TYR  50           HE1      TYR  50   9.112 -20.746   1.443
  396    HE2  TYR  50           HE2      TYR  50   9.628 -16.489   1.694
  397    HH   TYR  50           HH       TYR  50   9.096 -17.774   3.418
  Start of MODEL    7
    1   1H    ARG   1          H1        ARG   1  -4.540  20.290 -13.074
    2   2H    ARG   1          H2        ARG   1  -5.003  18.952 -14.014
    3   3H    ARG   1          H3        ARG   1  -4.133  20.229 -14.720
    4    HA   ARG   1           HA       ARG   1  -2.957  17.989 -13.938
    5   1HB   ARG   1          2HB       ARG   1  -0.954  19.305 -14.140
    6   2HB   ARG   1          1HB       ARG   1  -2.162  20.083 -15.164
    7   1HG   ARG   1          2HG       ARG   1  -2.716  21.553 -13.143
    8   2HG   ARG   1          1HG       ARG   1  -1.234  20.931 -12.414
    9   1HD   ARG   1          2HD       ARG   1   0.049  21.728 -14.403
   10   2HD   ARG   1          1HD       ARG   1  -1.445  22.437 -15.046
   11    HE   ARG   1           HE       ARG   1  -1.386  24.069 -13.303
   12   1HH1  ARG   1          1HH2      ARG   1  -0.689  22.152 -11.073
   13   2HH1  ARG   1          2HH2      ARG   1   0.883  22.713 -10.611
   14   1HH2  ARG   1          1HH1      ARG   1   1.368  24.561 -13.504
   15   2HH2  ARG   1          2HH1      ARG   1   2.048  24.076 -11.987
   16    H    LYS   2           H        LYS   2  -1.360  17.561 -12.140
   17    HA   LYS   2           HA       LYS   2  -1.347  18.946  -9.655
   18   1HB   LYS   2          2HB       LYS   2  -3.703  17.330 -10.273
   19   2HB   LYS   2          1HB       LYS   2  -2.933  16.829  -8.767
   20   1HG   LYS   2          2HG       LYS   2  -2.931  19.672  -8.799
   21   2HG   LYS   2          1HG       LYS   2  -4.553  19.147  -9.251
   22   1HD   LYS   2          2HD       LYS   2  -4.608  17.658  -7.268
   23   2HD   LYS   2          1HD       LYS   2  -3.011  18.244  -6.802
   24   1HE   LYS   2          2HE       LYS   2  -4.951  19.411  -5.634
   25   2HE   LYS   2          1HE       LYS   2  -3.859  20.505  -6.507
   26   1HZ   LYS   2          1HZ       LYS   2  -6.368  20.692  -6.962
   27   2HZ   LYS   2          2HZ       LYS   2  -6.167  19.270  -7.871
   28   3HZ   LYS   2          3HZ       LYS   2  -5.312  20.677  -8.289
   29    H    GLY   3           H        GLY   3  -2.028  15.476  -9.896
   30   1HA   GLY   3          2HA       GLY   3  -0.682  13.625  -9.379
   31   2HA   GLY   3          1HA       GLY   3   0.605  14.499 -10.209
   32    H    HIS   4           H        HIS   4  -1.044  14.241  -7.061
   33    HA   HIS   4           HA       HIS   4   1.504  14.415  -5.646
   34   1HB   HIS   4          2HB       HIS   4   0.840  16.782  -6.432
   35   2HB   HIS   4          1HB       HIS   4  -0.459  16.680  -5.244
   36    HD1  HIS   4           HD1      HIS   4   1.167  18.786  -4.307
   37    HD2  HIS   4           HD2      HIS   4   2.495  14.874  -3.751
   38    HE1  HIS   4           HE1      HIS   4   2.906  18.874  -2.468
   39    H    PHE   5           H        PHE   5   0.559  12.412  -4.783
   40    HA   PHE   5           HA       PHE   5  -1.753  12.842  -2.925
   41   1HB   PHE   5          2HB       PHE   5  -0.599  10.291  -4.100
   42   2HB   PHE   5          1HB       PHE   5  -2.113  10.441  -3.207
   43    HD1  PHE   5           HD1      PHE   5  -3.943  11.951  -4.162
   44    HD2  PHE   5           HD2      PHE   5  -0.526  10.680  -6.432
   45    HE1  PHE   5           HE1      PHE   5  -5.134  12.506  -6.266
   46    HE2  PHE   5           HE2      PHE   5  -1.717  11.234  -8.536
   47    HZ   PHE   5           HZ       PHE   5  -4.021  12.147  -8.453
   48    H    SER   6           H        SER   6  -1.168  10.360  -1.499
   49    HA   SER   6           HA       SER   6   1.470  10.888  -0.220
   50   1HB   SER   6          2HB       SER   6  -1.277  11.185   0.958
   51   2HB   SER   6          1HB       SER   6   0.055  10.690   1.997
   52    HG   SER   6           HG       SER   6   0.018  12.979   0.309
   53    H    ARG   7           H        ARG   7   2.452   8.955   0.244
   54    HA   ARG   7           HA       ARG   7   1.013   6.440  -0.202
   55   1HB   ARG   7          2HB       ARG   7   3.827   7.269   0.534
   56   2HB   ARG   7          1HB       ARG   7   3.358   5.572   0.433
   57   1HG   ARG   7          2HG       ARG   7   3.685   5.662  -1.790
   58   2HG   ARG   7          1HG       ARG   7   2.348   6.807  -1.901
   59   1HD   ARG   7          2HD       ARG   7   4.492   7.698  -2.882
   60   2HD   ARG   7          1HD       ARG   7   3.890   8.688  -1.538
   61    HE   ARG   7           HE       ARG   7   5.529   6.693  -0.397
   62   1HH1  ARG   7          1HH1      ARG   7   5.618   9.638  -2.151
   63   2HH1  ARG   7          2HH1      ARG   7   7.324   9.869  -1.955
   64   1HH2  ARG   7          1HH2      ARG   7   7.811   6.848  -0.321
   65   2HH2  ARG   7          2HH2      ARG   7   8.565   8.289  -0.918
   66    H    CYS   8           H        CYS   8   0.805   4.766   1.436
   67    HA   CYS   8           HA       CYS   8   0.235   5.829   4.118
   68   1HB   CYS   8          2HB       CYS   8  -0.352   3.480   2.450
   69   2HB   CYS   8          1HB       CYS   8  -0.116   3.086   4.153
   70    HA   PRO   9           HA       PRO   9   4.324   4.674   5.492
   71   1HB   PRO   9          2HB       PRO   9   3.986   5.454   8.093
   72   2HB   PRO   9          1HB       PRO   9   4.296   6.600   6.775
   73   1HG   PRO   9          2HG       PRO   9   1.736   5.912   8.121
   74   2HG   PRO   9          1HG       PRO   9   2.318   7.476   7.531
   75   1HD   PRO   9          2HD       PRO   9   0.494   5.927   6.203
   76   2HD   PRO   9          1HD       PRO   9   1.570   7.096   5.406
   77    H    LYS  10           H        LYS  10   5.189   3.040   6.983
   78    HA   LYS  10           HA       LYS  10   3.515   0.720   7.292
   79   1HB   LYS  10          2HB       LYS  10   5.509  -0.223   8.268
   80   2HB   LYS  10          1HB       LYS  10   6.037   0.885   7.001
   81   1HG   LYS  10          2HG       LYS  10   7.349   1.807   8.603
   82   2HG   LYS  10          1HG       LYS  10   5.860   2.545   9.195
   83   1HD   LYS  10          2HD       LYS  10   5.729   0.021  10.292
   84   2HD   LYS  10          1HD       LYS  10   7.458   0.369  10.359
   85   1HE   LYS  10          2HE       LYS  10   5.518   2.492  11.238
   86   2HE   LYS  10          1HE       LYS  10   5.917   1.163  12.345
   87   1HZ   LYS  10          1HZ       LYS  10   7.933   2.791  10.892
   88   2HZ   LYS  10          2HZ       LYS  10   8.238   1.607  12.071
   89   3HZ   LYS  10          3HZ       LYS  10   7.478   3.064  12.503
   90    H    GLN  11           H        GLN  11   4.224   3.451   9.361
   91    HA   GLN  11           HA       GLN  11   3.573   2.303  11.903
   92   1HB   GLN  11          2HB       GLN  11   4.369   4.757  10.803
   93   2HB   GLN  11          1HB       GLN  11   2.814   5.095  11.566
   94   1HG   GLN  11          2HG       GLN  11   3.782   3.741  13.578
   95   2HG   GLN  11          1HG       GLN  11   5.344   4.062  12.824
   96   1HE2  GLN  11          1HE2      GLN  11   2.347   6.004  13.422
   97   2HE2  GLN  11          2HE2      GLN  11   3.175   7.347  14.048
   98    H    TYR  12           H        TYR  12   1.599   2.968   9.186
   99    HA   TYR  12           HA       TYR  12  -0.851   2.695  10.894
  100   1HB   TYR  12          2HB       TYR  12  -0.036   4.716   8.869
  101   2HB   TYR  12          1HB       TYR  12  -1.715   4.179   8.795
  102    HD1  TYR  12           HD1      TYR  12   0.596   6.353  10.425
  103    HD2  TYR  12           HD2      TYR  12  -3.025   4.129  11.053
  104    HE1  TYR  12           HE1      TYR  12   0.047   7.794  12.367
  105    HE2  TYR  12           HE2      TYR  12  -3.573   5.571  12.996
  106    HH   TYR  12           HH       TYR  12  -1.642   7.231  14.654
  107    H    LYS  13           H        LYS  13   0.939   0.964   8.938
  108    HA   LYS  13           HA       LYS  13  -1.062   0.206   6.895
  109   1HB   LYS  13          2HB       LYS  13   1.718   0.258   7.117
  110   2HB   LYS  13          1HB       LYS  13   1.321  -1.459   7.185
  111   1HG   LYS  13          2HG       LYS  13   0.777  -1.508   4.997
  112   2HG   LYS  13          1HG       LYS  13  -0.245  -0.078   5.154
  113   1HD   LYS  13          2HD       LYS  13   1.473   0.596   3.670
  114   2HD   LYS  13          1HD       LYS  13   1.957   1.264   5.230
  115   1HE   LYS  13          2HE       LYS  13   3.488  -0.616   5.602
  116   2HE   LYS  13          1HE       LYS  13   2.962  -1.366   4.082
  117   1HZ   LYS  13          1HZ       LYS  13   4.173   1.336   4.350
  118   2HZ   LYS  13          2HZ       LYS  13   3.651   0.625   2.898
  119   3HZ   LYS  13          3HZ       LYS  13   4.964  -0.038   3.748
  120    H    HIS  14           H        HIS  14  -2.328  -0.352   9.189
  121    HA   HIS  14           HA       HIS  14  -1.659  -3.052  10.172
  122   1HB   HIS  14          2HB       HIS  14  -3.721  -0.921  10.740
  123   2HB   HIS  14          1HB       HIS  14  -3.878  -2.532  11.441
  124    HD1  HIS  14           HD1      HIS  14  -0.753  -0.404  10.935
  125    HD2  HIS  14           HD2      HIS  14  -2.895  -2.226  14.013
  126    HE1  HIS  14           HE1      HIS  14   0.595  -0.055  13.050
  127    H    TYR  15           H        TYR  15  -3.474  -1.666   7.646
  128    HA   TYR  15           HA       TYR  15  -5.429  -3.871   7.454
  129   1HB   TYR  15          2HB       TYR  15  -5.993  -2.562   5.314
  130   2HB   TYR  15          1HB       TYR  15  -6.204  -1.689   6.831
  131    HD1  TYR  15           HD1      TYR  15  -5.027   0.311   7.252
  132    HD2  TYR  15           HD2      TYR  15  -3.787  -2.258   4.042
  133    HE1  TYR  15           HE1      TYR  15  -3.428   2.044   6.484
  134    HE2  TYR  15           HE2      TYR  15  -2.187  -0.523   3.272
  135    HH   TYR  15           HH       TYR  15  -0.979   1.405   4.213
  136    H    CYS  16           H        CYS  16  -2.196  -3.310   6.591
  137    HA   CYS  16           HA       CYS  16  -2.116  -5.758   4.961
  138   1HB   CYS  16          2HB       CYS  16  -1.957  -2.982   3.866
  139   2HB   CYS  16          1HB       CYS  16  -0.865  -4.185   3.180
  140    H    ILE  17           H        ILE  17  -0.218  -6.757   5.556
  141    HA   ILE  17           HA       ILE  17   1.780  -5.329   7.130
  142    HB   ILE  17           HB       ILE  17   1.518  -8.112   5.973
  143   1HG1  ILE  17          2HG1      ILE  17   0.017  -7.355   7.861
  144   2HG1  ILE  17          1HG1      ILE  17   1.044  -8.734   8.261
  145   1HG2  ILE  17          1HG2      ILE  17   3.440  -8.637   7.563
  146   2HG2  ILE  17          2HG2      ILE  17   3.723  -6.899   7.653
  147   3HG2  ILE  17          3HG2      ILE  17   3.881  -7.739   6.110
  148   1HD1  ILE  17          1HD1      ILE  17   2.338  -6.157   8.787
  149   2HD1  ILE  17          2HD1      ILE  17   2.178  -7.567   9.834
  150   3HD1  ILE  17          3HD1      ILE  17   0.866  -6.394   9.730
  151    H    LYS  18           H        LYS  18   1.969  -7.053   3.978
  152    HA   LYS  18           HA       LYS  18   4.295  -5.280   3.298
  153   1HB   LYS  18          2HB       LYS  18   5.086  -7.176   1.964
  154   2HB   LYS  18          1HB       LYS  18   4.745  -7.719   3.607
  155   1HG   LYS  18          2HG       LYS  18   2.323  -8.135   2.507
  156   2HG   LYS  18          1HG       LYS  18   3.323  -8.349   1.071
  157   1HD   LYS  18          2HD       LYS  18   3.489  -9.862   3.686
  158   2HD   LYS  18          1HD       LYS  18   3.148 -10.512   2.081
  159   1HE   LYS  18          2HE       LYS  18   5.370 -10.924   1.882
  160   2HE   LYS  18          1HE       LYS  18   5.623  -9.168   1.838
  161   1HZ   LYS  18          1HZ       LYS  18   5.782 -11.009   4.120
  162   2HZ   LYS  18          2HZ       LYS  18   5.256  -9.418   4.401
  163   3HZ   LYS  18          3HZ       LYS  18   6.787  -9.703   3.721
  164    H    GLY  19           H        GLY  19   2.359  -3.822   2.613
  165   1HA   GLY  19          2HA       GLY  19   1.957  -4.212  -0.287
  166   2HA   GLY  19          1HA       GLY  19   0.493  -4.108   0.694
  167    H    ARG  20           H        ARG  20   0.966  -2.166  -1.244
  168    HA   ARG  20           HA       ARG  20   1.852   0.211   0.360
  169   1HB   ARG  20          2HB       ARG  20   2.555   1.160  -1.709
  170   2HB   ARG  20          1HB       ARG  20   3.051  -0.530  -1.797
  171   1HG   ARG  20          2HG       ARG  20   0.892  -1.018  -3.007
  172   2HG   ARG  20          1HG       ARG  20   0.599   0.721  -3.064
  173   1HD   ARG  20          2HD       ARG  20   2.429   1.108  -4.504
  174   2HD   ARG  20          1HD       ARG  20   3.193  -0.441  -4.094
  175    HE   ARG  20           HE       ARG  20   0.520  -0.676  -5.293
  176   1HH1  ARG  20          1HH2      ARG  20   3.554  -1.973  -5.277
  177   2HH1  ARG  20          2HH2      ARG  20   3.693  -2.187  -6.990
  178   1HH2  ARG  20          1HH1      ARG  20   0.850  -0.342  -7.721
  179   2HH2  ARG  20          2HH1      ARG  20   2.162  -1.265  -8.373
  180    H    CYS  21           H        CYS  21   0.169   1.470   1.026
  181    HA   CYS  21           HA       CYS  21  -2.420   1.318  -0.461
  182   1HB   CYS  21          2HB       CYS  21  -2.613   0.737   1.842
  183   2HB   CYS  21          1HB       CYS  21  -1.565   2.064   2.339
  184    H    ARG  22           H        ARG  22  -3.046   3.081  -1.640
  185    HA   ARG  22           HA       ARG  22  -1.452   5.586  -1.438
  186   1HB   ARG  22          2HB       ARG  22  -2.360   4.077  -3.534
  187   2HB   ARG  22          1HB       ARG  22  -3.631   5.296  -3.424
  188   1HG   ARG  22          2HG       ARG  22  -2.266   6.956  -4.151
  189   2HG   ARG  22          1HG       ARG  22  -0.905   6.383  -3.185
  190   1HD   ARG  22          2HD       ARG  22  -1.032   4.380  -5.010
  191   2HD   ARG  22          1HD       ARG  22  -1.622   5.734  -5.994
  192    HE   ARG  22           HE       ARG  22   0.988   5.735  -4.530
  193   1HH1  ARG  22          1HH1      ARG  22  -0.882   8.128  -5.653
  194   2HH1  ARG  22          2HH1      ARG  22   0.138   8.629  -6.961
  195   1HH2  ARG  22          1HH2      ARG  22   2.191   5.841  -6.777
  196   2HH2  ARG  22          2HH2      ARG  22   1.877   7.334  -7.598
  197    H    PHE  23           H        PHE  23  -2.279   6.966   0.118
  198    HA   PHE  23           HA       PHE  23  -5.235   7.106   0.491
  199   1HB   PHE  23          2HB       PHE  23  -3.351   6.797   2.306
  200   2HB   PHE  23          1HB       PHE  23  -3.170   8.543   2.137
  201    HD1  PHE  23           HD1      PHE  23  -5.739   9.657   1.813
  202    HD2  PHE  23           HD2      PHE  23  -4.638   6.234   4.164
  203    HE1  PHE  23           HE1      PHE  23  -7.729  10.004   3.249
  204    HE2  PHE  23           HE2      PHE  23  -6.630   6.583   5.601
  205    HZ   PHE  23           HZ       PHE  23  -8.175   8.468   5.143
  206    H    VAL  24           H        VAL  24  -6.186   8.628  -0.823
  207    HA   VAL  24           HA       VAL  24  -4.677  11.009  -1.707
  208    HB   VAL  24           HB       VAL  24  -7.584  10.330  -2.195
  209   1HG1  VAL  24          1HG1      VAL  24  -6.388  11.260  -4.519
  210   2HG1  VAL  24          2HG1      VAL  24  -5.595  12.201  -3.256
  211   3HG1  VAL  24          3HG1      VAL  24  -7.353  12.229  -3.405
  212   1HG2  VAL  24          1HG2      VAL  24  -5.091   9.040  -3.271
  213   2HG2  VAL  24          2HG2      VAL  24  -6.498   9.208  -4.321
  214   3HG2  VAL  24          3HG2      VAL  24  -6.623   8.293  -2.818
  215    H    VAL  25           H        VAL  25  -4.648  12.792  -0.406
  216    HA   VAL  25           HA       VAL  25  -6.502  13.154   1.810
  217    HB   VAL  25           HB       VAL  25  -4.540  15.102   0.562
  218   1HG1  VAL  25          1HG1      VAL  25  -5.557  16.344   2.205
  219   2HG1  VAL  25          2HG1      VAL  25  -4.400  15.488   3.225
  220   3HG1  VAL  25          3HG1      VAL  25  -6.066  14.921   3.113
  221   1HG2  VAL  25          1HG2      VAL  25  -3.041  13.429   0.984
  222   2HG2  VAL  25          2HG2      VAL  25  -4.143  12.582   2.070
  223   3HG2  VAL  25          3HG2      VAL  25  -3.215  13.963   2.656
  224    H    ALA  26           H        ALA  26  -5.768  15.398  -0.899
  225    HA   ALA  26           HA       ALA  26  -7.906  17.133  -0.740
  226   1HB   ALA  26          1HB       ALA  26  -7.083  15.871  -3.360
  227   2HB   ALA  26          2HB       ALA  26  -5.967  16.887  -2.449
  228   3HB   ALA  26          3HB       ALA  26  -7.487  17.558  -3.040
  229    H    GLU  27           H        GLU  27  -7.957  14.006  -2.467
  230    HA   GLU  27           HA       GLU  27 -10.950  14.085  -2.408
  231   1HB   GLU  27          2HB       GLU  27  -9.061  13.614  -4.429
  232   2HB   GLU  27          1HB       GLU  27  -9.677  12.012  -4.022
  233   1HG   GLU  27          2HG       GLU  27 -11.987  12.813  -4.317
  234   2HG   GLU  27          1HG       GLU  27 -11.384  14.425  -4.705
  235    H    GLN  28           H        GLN  28 -11.113  13.268  -0.226
  236    HA   GLN  28           HA       GLN  28  -9.854  11.309   1.162
  237   1HB   GLN  28          2HB       GLN  28 -12.663  12.162   0.807
  238   2HB   GLN  28          1HB       GLN  28 -12.458  10.590   1.580
  239   1HG   GLN  28          2HG       GLN  28 -11.364  11.477   3.416
  240   2HG   GLN  28          1HG       GLN  28 -10.732  12.850   2.507
  241   1HE2  GLN  28          1HE2      GLN  28 -12.073  13.218   5.015
  242   2HE2  GLN  28          2HE2      GLN  28 -13.536  14.028   4.724
  243    H    THR  29           H        THR  29  -8.837   9.737  -0.216
  244    HA   THR  29           HA       THR  29 -10.678   7.541  -1.061
  245    HB   THR  29           HB       THR  29  -8.507   8.806  -2.765
  246    HG1  THR  29           1HG      THR  29 -11.315   8.779  -3.126
  247   1HG2  THR  29          1HG2      THR  29  -9.750   7.316  -4.512
  248   2HG2  THR  29          2HG2      THR  29 -10.307   6.422  -3.097
  249   3HG2  THR  29          3HG2      THR  29  -8.581   6.562  -3.429
  250    HA   PRO  30           HA       PRO  30  -6.891   6.064   1.133
  251   1HB   PRO  30          2HB       PRO  30  -8.213   4.445   2.895
  252   2HB   PRO  30          1HB       PRO  30  -7.924   6.170   3.201
  253   1HG   PRO  30          2HG       PRO  30 -10.395   4.798   2.291
  254   2HG   PRO  30          1HG       PRO  30 -10.205   6.190   3.367
  255   1HD   PRO  30          2HD       PRO  30 -10.947   6.358   0.724
  256   2HD   PRO  30          1HD       PRO  30 -10.185   7.676   1.640
  257    H    SER  31           H        SER  31  -6.651   4.961  -1.029
  258    HA   SER  31           HA       SER  31  -8.001   2.344  -1.339
  259   1HB   SER  31          2HB       SER  31  -6.519   2.423  -3.461
  260   2HB   SER  31          1HB       SER  31  -7.786   3.639  -3.320
  261    HG   SER  31           HG       SER  31  -5.167   3.997  -3.554
  262    H    CYS  32           H        CYS  32  -6.968   0.376  -0.942
  263    HA   CYS  32           HA       CYS  32  -4.143   0.537   0.053
  264   1HB   CYS  32          2HB       CYS  32  -5.673  -0.073   1.796
  265   2HB   CYS  32          1HB       CYS  32  -6.511  -1.217   0.747
  266    H    VAL  33           H        VAL  33  -2.642  -0.622  -1.067
  267    HA   VAL  33           HA       VAL  33  -3.597  -2.754  -2.952
  268    HB   VAL  33           HB       VAL  33  -1.195  -0.950  -3.329
  269   1HG1  VAL  33          1HG1      VAL  33  -2.869  -2.199  -5.486
  270   2HG1  VAL  33          2HG1      VAL  33  -1.692  -3.189  -4.623
  271   3HG1  VAL  33          3HG1      VAL  33  -1.160  -1.763  -5.515
  272   1HG2  VAL  33          1HG2      VAL  33  -2.978   0.101  -5.039
  273   2HG2  VAL  33          2HG2      VAL  33  -2.805   0.702  -3.389
  274   3HG2  VAL  33          3HG2      VAL  33  -4.100  -0.429  -3.786
  275    H    CYS  34           H        CYS  34  -1.992  -4.497  -3.283
  276    HA   CYS  34           HA       CYS  34  -0.218  -4.834  -0.892
  277   1HB   CYS  34          2HB       CYS  34  -1.294  -6.940  -2.784
  278   2HB   CYS  34          1HB       CYS  34  -0.627  -7.183  -1.170
  279    H    ASP  35           H        ASP  35   1.847  -5.993  -1.297
  280    HA   ASP  35           HA       ASP  35   3.381  -4.881  -3.431
  281   1HB   ASP  35          2HB       ASP  35   3.646  -6.808  -1.231
  282   2HB   ASP  35          1HB       ASP  35   4.695  -7.177  -2.601
  283    H    GLU  36           H        GLU  36   3.259  -5.421  -5.576
  284    HA   GLU  36           HA       GLU  36   1.741  -7.404  -6.786
  285   1HB   GLU  36          2HB       GLU  36   3.296  -7.108  -8.688
  286   2HB   GLU  36          1HB       GLU  36   2.957  -5.561  -7.912
  287   1HG   GLU  36          2HG       GLU  36   5.061  -5.926  -6.530
  288   2HG   GLU  36          1HG       GLU  36   5.431  -7.274  -7.607
  289    H    GLY  37           H        GLY  37   5.120  -7.715  -5.656
  290   1HA   GLY  37          2HA       GLY  37   5.108 -10.591  -6.327
  291   2HA   GLY  37          1HA       GLY  37   6.488  -9.679  -5.715
  292    H    TYR  38           H        TYR  38   3.176 -10.049  -4.429
  293    HA   TYR  38           HA       TYR  38   4.411 -11.114  -1.913
  294   1HB   TYR  38          2HB       TYR  38   3.180  -9.581  -0.709
  295   2HB   TYR  38          1HB       TYR  38   3.305  -8.680  -2.215
  296    HD1  TYR  38           HD1      TYR  38   1.078  -9.388   0.240
  297    HD2  TYR  38           HD2      TYR  38   1.404  -9.767  -4.024
  298    HE1  TYR  38           HE1      TYR  38  -1.394  -9.401   0.051
  299    HE2  TYR  38           HE2      TYR  38  -1.067  -9.778  -4.215
  300    HH   TYR  38           HH       TYR  38  -3.007 -10.185  -2.919
  301    H    ILE  39           H        ILE  39   2.582 -12.244  -0.544
  302    HA   ILE  39           HA       ILE  39   0.552 -13.610  -2.227
  303    HB   ILE  39           HB       ILE  39   2.615 -15.133  -0.613
  304   1HG1  ILE  39          2HG1      ILE  39   2.592 -14.388  -3.553
  305   2HG1  ILE  39          1HG1      ILE  39   3.834 -13.996  -2.363
  306   1HG2  ILE  39          1HG2      ILE  39   1.779 -17.052  -1.799
  307   2HG2  ILE  39          2HG2      ILE  39   0.825 -16.040  -2.882
  308   3HG2  ILE  39          3HG2      ILE  39   0.374 -16.181  -1.183
  309   1HD1  ILE  39          1HD1      ILE  39   3.573 -16.371  -3.973
  310   2HD1  ILE  39          2HD1      ILE  39   3.493 -16.805  -2.265
  311   3HD1  ILE  39          3HD1      ILE  39   4.884 -15.914  -2.884
  312    H    GLY  40           H        GLY  40  -1.295 -13.841  -1.016
  313   1HA   GLY  40          2HA       GLY  40  -2.102 -14.839   1.213
  314   2HA   GLY  40          1HA       GLY  40  -1.032 -13.650   1.956
  315    H    ALA  41           H        ALA  41  -3.859 -13.758   2.408
  316    HA   ALA  41           HA       ALA  41  -5.228 -11.772   0.784
  317   1HB   ALA  41          1HB       ALA  41  -5.833 -12.771   3.586
  318   2HB   ALA  41          2HB       ALA  41  -6.240 -13.664   2.120
  319   3HB   ALA  41          3HB       ALA  41  -6.981 -12.095   2.431
  320    H    ARG  42           H        ARG  42  -3.761 -11.730   4.053
  321    HA   ARG  42           HA       ARG  42  -4.174  -8.806   4.254
  322   1HB   ARG  42          2HB       ARG  42  -3.381 -11.096   5.995
  323   2HB   ARG  42          1HB       ARG  42  -2.776  -9.503   6.455
  324   1HG   ARG  42          2HG       ARG  42  -5.246  -8.733   6.081
  325   2HG   ARG  42          1HG       ARG  42  -5.625 -10.448   6.237
  326   1HD   ARG  42          2HD       ARG  42  -3.855  -9.938   8.354
  327   2HD   ARG  42          1HD       ARG  42  -4.950  -8.542   8.327
  328    HE   ARG  42           HE       ARG  42  -6.428 -10.986   7.927
  329   1HH1  ARG  42          1HH2      ARG  42  -4.336 -10.759  10.404
  330   2HH1  ARG  42          2HH2      ARG  42  -5.500 -10.575  11.672
  331   1HH2  ARG  42          1HH1      ARG  42  -8.156 -10.018   9.512
  332   2HH2  ARG  42          2HH1      ARG  42  -7.663 -10.156  11.167
  333    H    CYS  43           H        CYS  43  -2.063 -10.561   2.552
  334    HA   CYS  43           HA       CYS  43   0.048 -10.037   1.627
  335   1HB   CYS  43          2HB       CYS  43  -0.024  -7.546   3.336
  336   2HB   CYS  43          1HB       CYS  43   0.694  -7.756   1.742
  337    H    GLU  44           H        GLU  44   0.328 -11.884   3.484
  338    HA   GLU  44           HA       GLU  44   2.231 -10.879   5.563
  339   1HB   GLU  44          2HB       GLU  44   0.122 -12.219   6.092
  340   2HB   GLU  44          1HB       GLU  44   0.912 -13.594   5.321
  341   1HG   GLU  44          2HG       GLU  44   2.902 -13.034   6.917
  342   2HG   GLU  44          1HG       GLU  44   1.690 -12.145   7.840
  343    H    ARG  45           H        ARG  45   1.893 -13.363   3.011
  344    HA   ARG  45           HA       ARG  45   4.650 -14.308   3.418
  345   1HB   ARG  45          2HB       ARG  45   2.199 -15.118   2.105
  346   2HB   ARG  45          1HB       ARG  45   3.562 -15.268   0.996
  347   1HG   ARG  45          2HG       ARG  45   4.744 -16.712   2.472
  348   2HG   ARG  45          1HG       ARG  45   3.686 -16.316   3.827
  349   1HD   ARG  45          2HD       ARG  45   2.322 -18.033   3.267
  350   2HD   ARG  45          1HD       ARG  45   2.079 -17.325   1.658
  351    HE   ARG  45           HE       ARG  45   4.058 -18.545   0.881
  352   1HH1  ARG  45          1HH1      ARG  45   4.837 -18.690   3.989
  353   2HH1  ARG  45          2HH1      ARG  45   4.884 -20.413   4.156
  354   1HH2  ARG  45          1HH2      ARG  45   3.317 -21.014   1.122
  355   2HH2  ARG  45          2HH2      ARG  45   4.024 -21.729   2.533
  356    H    VAL  46           H        VAL  46   6.359 -14.017   1.892
  357    HA   VAL  46           HA       VAL  46   5.929 -11.800  -0.089
  358    HB   VAL  46           HB       VAL  46   7.231 -11.001   1.764
  359   1HG1  VAL  46          1HG1      VAL  46   9.343 -12.294   2.411
  360   2HG1  VAL  46          2HG1      VAL  46   8.682 -13.639   1.481
  361   3HG1  VAL  46          3HG1      VAL  46   7.810 -13.026   2.887
  362   1HG2  VAL  46          1HG2      VAL  46   8.230 -11.100  -0.815
  363   2HG2  VAL  46          2HG2      VAL  46   9.582 -11.701   0.146
  364   3HG2  VAL  46          3HG2      VAL  46   8.889 -10.116   0.493
  365    H    ASP  47           H        ASP  47   6.972 -12.064  -2.116
  366    HA   ASP  47           HA       ASP  47   8.202 -14.764  -2.590
  367   1HB   ASP  47          2HB       ASP  47   5.867 -14.148  -3.519
  368   2HB   ASP  47          1HB       ASP  47   6.730 -13.068  -4.614
  369    H    LEU  48           H        LEU  48   9.714 -12.400  -1.824
  370    HA   LEU  48           HA       LEU  48  11.018 -11.588  -4.392
  371   1HB   LEU  48          2HB       LEU  48  10.843 -10.466  -1.593
  372   2HB   LEU  48          1HB       LEU  48  12.053  -9.878  -2.735
  373    HG   LEU  48           HG       LEU  48   9.204 -10.063  -3.641
  374   1HD1  LEU  48          1HD1      LEU  48   9.615  -8.822  -1.294
  375   2HD1  LEU  48          2HD1      LEU  48   8.485  -8.200  -2.496
  376   3HD1  LEU  48          3HD1      LEU  48  10.108  -7.519  -2.375
  377   1HD2  LEU  48          1HD2      LEU  48  11.523  -8.177  -4.169
  378   2HD2  LEU  48          2HD2      LEU  48   9.935  -8.045  -4.922
  379   3HD2  LEU  48          3HD2      LEU  48  10.949  -9.451  -5.244
  380    H    PHE  49           H        PHE  49  13.495 -11.284  -4.109
  381    HA   PHE  49           HA       PHE  49  14.658 -13.821  -3.277
  382   1HB   PHE  49          2HB       PHE  49  15.251 -11.613  -4.954
  383   2HB   PHE  49          1HB       PHE  49  16.565 -11.713  -3.783
  384    HD1  PHE  49           HD1      PHE  49  18.193 -13.440  -3.904
  385    HD2  PHE  49           HD2      PHE  49  14.608 -13.696  -6.258
  386    HE1  PHE  49           HE1      PHE  49  19.134 -15.383  -5.125
  387    HE2  PHE  49           HE2      PHE  49  15.549 -15.640  -7.478
  388    HZ   PHE  49           HZ       PHE  49  17.812 -16.483  -6.912
  389    H    TYR  50           H        TYR  50  15.319 -10.440  -2.255
  390    HA   TYR  50           HA       TYR  50  16.910 -11.126   0.015
  391   1HB   TYR  50          2HB       TYR  50  15.147  -8.711  -0.517
  392   2HB   TYR  50          1HB       TYR  50  16.495  -8.770   0.618
  393    HD1  TYR  50           HD1      TYR  50  15.547  -7.969  -2.695
  394    HD2  TYR  50           HD2      TYR  50  18.790  -9.608  -0.404
  395    HE1  TYR  50           HE1      TYR  50  17.121  -7.424  -4.533
  396    HE2  TYR  50           HE2      TYR  50  20.363  -9.063  -2.242
  397    HH   TYR  50           HH       TYR  50  20.196  -7.110  -4.285
  Start of MODEL    8
    1   1H    ARG   1          H1        ARG   1  -3.917  18.613  -8.942
    2   2H    ARG   1          H2        ARG   1  -4.262  19.531  -7.553
    3   3H    ARG   1          H3        ARG   1  -4.550  17.857  -7.562
    4    HA   ARG   1           HA       ARG   1  -1.930  19.251  -7.533
    5   1HB   ARG   1          2HB       ARG   1  -3.600  17.489  -5.754
    6   2HB   ARG   1          1HB       ARG   1  -1.847  17.524  -5.551
    7   1HG   ARG   1          2HG       ARG   1  -2.909  20.211  -5.832
    8   2HG   ARG   1          1HG       ARG   1  -3.689  19.360  -4.497
    9   1HD   ARG   1          2HD       ARG   1  -1.472  18.779  -3.562
   10   2HD   ARG   1          1HD       ARG   1  -0.688  19.649  -4.896
   11    HE   ARG   1           HE       ARG   1  -2.646  21.066  -3.139
   12   1HH1  ARG   1          1HH1      ARG   1  -1.323  22.616  -5.268
   13   2HH1  ARG   1          2HH1      ARG   1   0.039  23.312  -4.457
   14   1HH2  ARG   1          1HH2      ARG   1  -0.109  21.126  -1.769
   15   2HH2  ARG   1          2HH2      ARG   1   0.727  22.468  -2.476
   16    H    LYS   2           H        LYS   2  -1.892  18.124  -9.857
   17    HA   LYS   2           HA       LYS   2  -1.752  15.321 -10.186
   18   1HB   LYS   2          2HB       LYS   2  -1.418  17.582 -11.707
   19   2HB   LYS   2          1HB       LYS   2   0.227  16.944 -11.662
   20   1HG   LYS   2          2HG       LYS   2  -0.692  14.708 -12.351
   21   2HG   LYS   2          1HG       LYS   2  -2.267  15.476 -12.560
   22   1HD   LYS   2          2HD       LYS   2  -1.414  15.631 -14.720
   23   2HD   LYS   2          1HD       LYS   2  -0.899  17.178 -14.045
   24   1HE   LYS   2          2HE       LYS   2   1.068  16.301 -15.067
   25   2HE   LYS   2          1HE       LYS   2   1.267  15.906 -13.348
   26   1HZ   LYS   2          1HZ       LYS   2   1.513  13.829 -14.189
   27   2HZ   LYS   2          2HZ       LYS   2   0.606  14.155 -15.588
   28   3HZ   LYS   2          3HZ       LYS   2  -0.181  13.841 -14.116
   29    H    GLY   3           H        GLY   3  -0.519  14.007  -8.873
   30   1HA   GLY   3          2HA       GLY   3   1.490  13.036  -8.089
   31   2HA   GLY   3          1HA       GLY   3   2.382  14.347  -8.860
   32    H    HIS   4           H        HIS   4  -0.072  14.146  -6.254
   33    HA   HIS   4           HA       HIS   4   1.817  15.244  -4.294
   34   1HB   HIS   4          2HB       HIS   4  -0.087  16.881  -5.859
   35   2HB   HIS   4          1HB       HIS   4  -0.111  17.180  -4.121
   36    HD1  HIS   4           HD1      HIS   4   1.455  18.495  -6.954
   37    HD2  HIS   4           HD2      HIS   4   2.930  17.253  -3.259
   38    HE1  HIS   4           HE1      HIS   4   3.704  19.623  -6.665
   39    H    PHE   5           H        PHE   5   0.875  13.042  -3.547
   40    HA   PHE   5           HA       PHE   5  -1.707  13.513  -2.091
   41   1HB   PHE   5          2HB       PHE   5  -0.586  10.917  -3.193
   42   2HB   PHE   5          1HB       PHE   5  -2.187  11.155  -2.490
   43    HD1  PHE   5           HD1      PHE   5  -3.748  12.868  -3.614
   44    HD2  PHE   5           HD2      PHE   5  -0.228  11.280  -5.496
   45    HE1  PHE   5           HE1      PHE   5  -4.629  13.545  -5.831
   46    HE2  PHE   5           HE2      PHE   5  -1.108  11.956  -7.714
   47    HZ   PHE   5           HZ       PHE   5  -3.309  13.089  -7.881
   48    H    SER   6           H        SER   6  -1.170  10.752  -0.888
   49    HA   SER   6           HA       SER   6   1.116  11.423   0.915
   50   1HB   SER   6          2HB       SER   6  -1.751  11.422   1.468
   51   2HB   SER   6          1HB       SER   6  -0.877  10.337   2.545
   52    HG   SER   6           HG       SER   6  -1.043  12.649   3.155
   53    H    ARG   7           H        ARG   7   2.229   9.585   1.634
   54    HA   ARG   7           HA       ARG   7   1.331   6.980   0.480
   55   1HB   ARG   7          2HB       ARG   7   3.862   8.398   0.952
   56   2HB   ARG   7          1HB       ARG   7   3.916   6.703   1.436
   57   1HG   ARG   7          2HG       ARG   7   3.534   5.930  -0.718
   58   2HG   ARG   7          1HG       ARG   7   2.682   7.396  -1.203
   59   1HD   ARG   7          2HD       ARG   7   4.971   7.188  -2.243
   60   2HD   ARG   7          1HD       ARG   7   4.795   8.648  -1.248
   61    HE   ARG   7           HE       ARG   7   5.685   6.460   0.389
   62   1HH1  ARG   7          1HH2      ARG   7   6.585   9.378  -0.966
   63   2HH1  ARG   7          2HH2      ARG   7   8.288   9.068  -0.956
   64   1HH2  ARG   7          1HH1      ARG   7   7.947   5.735  -0.060
   65   2HH2  ARG   7          2HH1      ARG   7   9.060   7.006  -0.443
   66    H    CYS   8           H        CYS   8   0.088   5.921   2.014
   67    HA   CYS   8           HA       CYS   8  -0.058   6.181   4.751
   68   1HB   CYS   8          2HB       CYS   8  -0.177   3.794   2.911
   69   2HB   CYS   8          1HB       CYS   8  -0.485   3.613   4.637
   70    HA   PRO   9           HA       PRO   9   4.138   5.171   5.924
   71   1HB   PRO   9          2HB       PRO   9   3.801   5.655   8.596
   72   2HB   PRO   9          1HB       PRO   9   4.023   6.947   7.401
   73   1HG   PRO   9          2HG       PRO   9   1.527   5.973   8.692
   74   2HG   PRO   9          1HG       PRO   9   2.012   7.623   8.270
   75   1HD   PRO   9          2HD       PRO   9   0.257   6.133   6.797
   76   2HD   PRO   9          1HD       PRO   9   1.265   7.430   6.118
   77    H    LYS  10           H        LYS  10   5.095   3.573   7.538
   78    HA   LYS  10           HA       LYS  10   3.748   1.040   7.417
   79   1HB   LYS  10          2HB       LYS  10   5.662   0.344   8.839
   80   2HB   LYS  10          1HB       LYS  10   6.191   1.368   7.504
   81   1HG   LYS  10          2HG       LYS  10   5.667   3.256   9.391
   82   2HG   LYS  10          1HG       LYS  10   6.186   1.916  10.414
   83   1HD   LYS  10          2HD       LYS  10   8.200   3.036   9.896
   84   2HD   LYS  10          1HD       LYS  10   8.166   1.686   8.761
   85   1HE   LYS  10          2HE       LYS  10   7.805   3.053   6.938
   86   2HE   LYS  10          1HE       LYS  10   6.868   4.230   7.879
   87   1HZ   LYS  10          1HZ       LYS  10   8.894   5.297   7.581
   88   2HZ   LYS  10          2HZ       LYS  10   9.797   3.869   7.767
   89   3HZ   LYS  10          3HZ       LYS  10   9.067   4.598   9.117
   90    H    GLN  11           H        GLN  11   3.819   3.599   9.831
   91    HA   GLN  11           HA       GLN  11   2.864   2.082  12.077
   92   1HB   GLN  11          2HB       GLN  11   2.924   4.967  11.219
   93   2HB   GLN  11          1HB       GLN  11   2.085   4.509  12.703
   94   1HG   GLN  11          2HG       GLN  11   4.979   3.865  12.059
   95   2HG   GLN  11          1HG       GLN  11   4.438   5.136  13.154
   96   1HE2  GLN  11          1HE2      GLN  11   5.466   1.930  13.101
   97   2HE2  GLN  11          2HE2      GLN  11   4.798   1.419  14.576
   98    H    TYR  12           H        TYR  12   1.324   3.043   9.169
   99    HA   TYR  12           HA       TYR  12  -1.370   2.571  10.408
  100   1HB   TYR  12          2HB       TYR  12  -0.271   4.594   8.527
  101   2HB   TYR  12          1HB       TYR  12  -1.889   3.996   8.159
  102    HD1  TYR  12           HD1      TYR  12   0.086   6.131  10.298
  103    HD2  TYR  12           HD2      TYR  12  -3.662   4.058   9.985
  104    HE1  TYR  12           HE1      TYR  12  -0.857   7.566  12.087
  105    HE2  TYR  12           HE2      TYR  12  -4.605   5.493  11.775
  106    HH   TYR  12           HH       TYR  12  -2.679   8.112  13.234
  107    H    LYS  13           H        LYS  13   0.874   1.020   8.676
  108    HA   LYS  13           HA       LYS  13  -0.821   0.069   6.445
  109   1HB   LYS  13          2HB       LYS  13   1.963   0.273   7.120
  110   2HB   LYS  13          1HB       LYS  13   1.594  -1.416   6.769
  111   1HG   LYS  13          2HG       LYS  13   0.731  -0.877   4.605
  112   2HG   LYS  13          1HG       LYS  13   0.711   0.849   4.969
  113   1HD   LYS  13          2HD       LYS  13   3.361   0.029   5.432
  114   2HD   LYS  13          1HD       LYS  13   2.882  -0.769   3.934
  115   1HE   LYS  13          2HE       LYS  13   2.903   1.190   2.785
  116   2HE   LYS  13          1HE       LYS  13   1.977   2.019   4.052
  117   1HZ   LYS  13          1HZ       LYS  13   4.694   1.229   4.732
  118   2HZ   LYS  13          2HZ       LYS  13   3.836   2.633   5.153
  119   3HZ   LYS  13          3HZ       LYS  13   4.551   2.500   3.618
  120    H    HIS  14           H        HIS  14  -2.105  -0.583   8.801
  121    HA   HIS  14           HA       HIS  14  -1.290  -3.278   9.678
  122   1HB   HIS  14          2HB       HIS  14  -3.606  -1.412  10.280
  123   2HB   HIS  14          1HB       HIS  14  -3.403  -2.982  11.058
  124    HD1  HIS  14           HD1      HIS  14  -2.558  -2.488  13.360
  125    HD2  HIS  14           HD2      HIS  14  -0.620  -0.181  10.479
  126    HE1  HIS  14           HE1      HIS  14  -0.748  -1.198  14.574
  127    H    TYR  15           H        TYR  15  -3.366  -1.820   7.334
  128    HA   TYR  15           HA       TYR  15  -4.990  -4.269   6.956
  129   1HB   TYR  15          2HB       TYR  15  -6.012  -2.798   5.161
  130   2HB   TYR  15          1HB       TYR  15  -6.086  -2.109   6.782
  131    HD1  TYR  15           HD1      TYR  15  -5.336   0.073   7.106
  132    HD2  TYR  15           HD2      TYR  15  -3.815  -2.200   3.793
  133    HE1  TYR  15           HE1      TYR  15  -4.070   2.058   6.324
  134    HE2  TYR  15           HE2      TYR  15  -2.550  -0.215   3.012
  135    HH   TYR  15           HH       TYR  15  -1.945   2.435   4.896
  136    H    CYS  16           H        CYS  16  -1.926  -3.237   6.099
  137    HA   CYS  16           HA       CYS  16  -1.738  -5.231   3.941
  138   1HB   CYS  16          2HB       CYS  16  -1.843  -2.275   3.526
  139   2HB   CYS  16          1HB       CYS  16  -0.701  -3.189   2.542
  140    H    ILE  17           H        ILE  17  -0.044  -6.212   5.137
  141    HA   ILE  17           HA       ILE  17   2.163  -4.652   6.247
  142    HB   ILE  17           HB       ILE  17   1.824  -7.623   5.718
  143   1HG1  ILE  17          2HG1      ILE  17   1.418  -6.296   8.380
  144   2HG1  ILE  17          1HG1      ILE  17   0.114  -6.243   7.194
  145   1HG2  ILE  17          1HG2      ILE  17   3.356  -7.310   7.982
  146   2HG2  ILE  17          2HG2      ILE  17   3.917  -5.975   6.975
  147   3HG2  ILE  17          3HG2      ILE  17   3.999  -7.630   6.372
  148   1HD1  ILE  17          1HD1      ILE  17   1.104  -8.902   7.196
  149   2HD1  ILE  17          2HD1      ILE  17  -0.461  -8.337   7.777
  150   3HD1  ILE  17          3HD1      ILE  17   0.908  -8.431   8.884
  151    H    LYS  18           H        LYS  18   2.013  -7.123   3.653
  152    HA   LYS  18           HA       LYS  18   4.600  -6.196   2.565
  153   1HB   LYS  18          2HB       LYS  18   3.005  -8.577   2.648
  154   2HB   LYS  18          1HB       LYS  18   3.286  -8.162   0.956
  155   1HG   LYS  18          2HG       LYS  18   5.412  -8.873   1.100
  156   2HG   LYS  18          1HG       LYS  18   5.718  -7.766   2.439
  157   1HD   LYS  18          2HD       LYS  18   4.157  -9.820   3.542
  158   2HD   LYS  18          1HD       LYS  18   5.318 -10.641   2.498
  159   1HE   LYS  18          2HE       LYS  18   7.165  -9.850   3.705
  160   2HE   LYS  18          1HE       LYS  18   6.267  -8.464   4.355
  161   1HZ   LYS  18          1HZ       LYS  18   6.206 -11.271   5.191
  162   2HZ   LYS  18          2HZ       LYS  18   4.759 -10.385   5.291
  163   3HZ   LYS  18          3HZ       LYS  18   6.138  -9.863   6.135
  164    H    GLY  19           H        GLY  19   2.414  -4.288   2.398
  165   1HA   GLY  19          2HA       GLY  19   2.467  -3.813  -0.494
  166   2HA   GLY  19          1HA       GLY  19   0.859  -4.128   0.160
  167    H    ARG  20           H        ARG  20   1.941  -1.623  -0.999
  168    HA   ARG  20           HA       ARG  20   1.795   0.168   1.402
  169   1HB   ARG  20          2HB       ARG  20   3.253   0.133  -1.170
  170   2HB   ARG  20          1HB       ARG  20   2.608   1.711  -0.717
  171   1HG   ARG  20          2HG       ARG  20   4.045   1.937   1.031
  172   2HG   ARG  20          1HG       ARG  20   3.897   0.241   1.493
  173   1HD   ARG  20          2HD       ARG  20   5.303  -0.279  -0.612
  174   2HD   ARG  20          1HD       ARG  20   5.701   1.451  -0.610
  175    HE   ARG  20           HE       ARG  20   6.317   0.994   1.895
  176   1HH1  ARG  20          1HH1      ARG  20   7.845  -0.104  -0.779
  177   2HH1  ARG  20          2HH1      ARG  20   8.607  -1.477  -0.049
  178   1HH2  ARG  20          1HH2      ARG  20   6.768  -1.270   2.884
  179   2HH2  ARG  20          2HH2      ARG  20   7.997  -2.137   2.025
  180    H    CYS  21           H        CYS  21   0.201   1.814   1.416
  181    HA   CYS  21           HA       CYS  21  -1.755   1.751  -0.862
  182   1HB   CYS  21          2HB       CYS  21  -2.669   0.596   1.046
  183   2HB   CYS  21          1HB       CYS  21  -2.151   1.878   2.139
  184    H    ARG  22           H        ARG  22  -2.322   3.748  -1.669
  185    HA   ARG  22           HA       ARG  22  -1.076   6.152  -0.431
  186   1HB   ARG  22          2HB       ARG  22  -0.902   5.401  -2.898
  187   2HB   ARG  22          1HB       ARG  22  -2.576   5.935  -3.048
  188   1HG   ARG  22          2HG       ARG  22  -1.549   7.919  -3.586
  189   2HG   ARG  22          1HG       ARG  22  -1.561   8.106  -1.832
  190   1HD   ARG  22          2HD       ARG  22   0.696   8.426  -2.102
  191   2HD   ARG  22          1HD       ARG  22   0.747   6.655  -2.209
  192    HE   ARG  22           HE       ARG  22   0.155   8.112  -4.717
  193   1HH1  ARG  22          1HH1      ARG  22   2.981   8.034  -3.119
  194   2HH1  ARG  22          2HH1      ARG  22   3.829   6.982  -4.203
  195   1HH2  ARG  22          1HH2      ARG  22   0.982   6.053  -5.952
  196   2HH2  ARG  22          2HH2      ARG  22   2.698   5.861  -5.807
  197    H    PHE  23           H        PHE  23  -2.349   7.801   0.447
  198    HA   PHE  23           HA       PHE  23  -5.319   7.362   0.394
  199   1HB   PHE  23          2HB       PHE  23  -3.790   7.149   2.534
  200   2HB   PHE  23          1HB       PHE  23  -3.855   8.912   2.512
  201    HD1  PHE  23           HD1      PHE  23  -6.395   9.777   1.861
  202    HD2  PHE  23           HD2      PHE  23  -5.369   6.145   3.913
  203    HE1  PHE  23           HE1      PHE  23  -8.660   9.705   2.866
  204    HE2  PHE  23           HE2      PHE  23  -7.634   6.073   4.920
  205    HZ   PHE  23           HZ       PHE  23  -9.280   7.854   4.397
  206    H    VAL  24           H        VAL  24  -6.305   8.893  -0.862
  207    HA   VAL  24           HA       VAL  24  -4.981  11.465  -1.430
  208    HB   VAL  24           HB       VAL  24  -7.728  10.453  -2.214
  209   1HG1  VAL  24          1HG1      VAL  24  -5.935  12.683  -3.033
  210   2HG1  VAL  24          2HG1      VAL  24  -7.697  12.610  -3.001
  211   3HG1  VAL  24          3HG1      VAL  24  -6.808  11.854  -4.323
  212   1HG2  VAL  24          1HG2      VAL  24  -5.264   9.223  -2.759
  213   2HG2  VAL  24          2HG2      VAL  24  -5.640  10.142  -4.215
  214   3HG2  VAL  24          3HG2      VAL  24  -6.784   8.946  -3.609
  215    H    VAL  25           H        VAL  25  -5.242  13.153  -0.034
  216    HA   VAL  25           HA       VAL  25  -7.357  13.175   1.991
  217    HB   VAL  25           HB       VAL  25  -5.300  15.259   1.193
  218   1HG1  VAL  25          1HG1      VAL  25  -5.922  16.423   3.044
  219   2HG1  VAL  25          2HG1      VAL  25  -6.127  14.958   4.005
  220   3HG1  VAL  25          3HG1      VAL  25  -7.419  15.496   2.933
  221   1HG2  VAL  25          1HG2      VAL  25  -4.974  13.338   3.477
  222   2HG2  VAL  25          2HG2      VAL  25  -3.737  14.176   2.540
  223   3HG2  VAL  25          3HG2      VAL  25  -4.587  12.796   1.844
  224    H    ALA  26           H        ALA  26  -6.401  15.683  -0.400
  225    HA   ALA  26           HA       ALA  26  -8.587  17.352  -0.350
  226   1HB   ALA  26          1HB       ALA  26  -7.278  16.242  -2.856
  227   2HB   ALA  26          2HB       ALA  26  -6.559  17.478  -1.825
  228   3HB   ALA  26          3HB       ALA  26  -8.056  17.817  -2.692
  229    H    GLU  27           H        GLU  27  -8.441  14.124  -1.749
  230    HA   GLU  27           HA       GLU  27 -11.416  14.189  -2.100
  231   1HB   GLU  27          2HB       GLU  27  -9.721  14.329  -4.169
  232   2HB   GLU  27          1HB       GLU  27  -9.666  12.583  -3.924
  233   1HG   GLU  27          2HG       GLU  27 -12.334  13.948  -3.978
  234   2HG   GLU  27          1HG       GLU  27 -11.502  13.645  -5.504
  235    H    GLN  28           H        GLN  28 -11.555  13.063  -0.048
  236    HA   GLN  28           HA       GLN  28 -10.235  10.983   1.073
  237   1HB   GLN  28          2HB       GLN  28 -12.288  11.832   1.988
  238   2HB   GLN  28          1HB       GLN  28 -13.207  11.293   0.582
  239   1HG   GLN  28          2HG       GLN  28 -13.347   9.153   1.339
  240   2HG   GLN  28          1HG       GLN  28 -11.686   9.157   1.932
  241   1HE2  GLN  28          1HE2      GLN  28 -11.760   8.733   4.146
  242   2HE2  GLN  28          2HE2      GLN  28 -12.842   9.455   5.237
  243    H    THR  29           H        THR  29  -9.101   9.696  -0.517
  244    HA   THR  29           HA       THR  29 -10.803   7.530  -1.669
  245    HB   THR  29           HB       THR  29  -8.876   9.339  -3.149
  246    HG1  THR  29           1HG      THR  29 -11.628   8.795  -3.192
  247   1HG2  THR  29          1HG2      THR  29 -10.215   6.812  -4.150
  248   2HG2  THR  29          2HG2      THR  29  -8.503   6.951  -3.748
  249   3HG2  THR  29          3HG2      THR  29  -9.172   7.884  -5.086
  250    HA   PRO  30           HA       PRO  30  -7.012   5.815   0.184
  251   1HB   PRO  30          2HB       PRO  30  -8.250   3.703   1.390
  252   2HB   PRO  30          1HB       PRO  30  -8.163   5.315   2.127
  253   1HG   PRO  30          2HG       PRO  30 -10.435   3.964   0.806
  254   2HG   PRO  30          1HG       PRO  30 -10.429   5.161   2.107
  255   1HD   PRO  30          2HD       PRO  30 -10.996   5.657  -0.586
  256   2HD   PRO  30          1HD       PRO  30 -10.631   6.879   0.650
  257    H    SER  31           H        SER  31  -5.763   4.327  -0.924
  258    HA   SER  31           HA       SER  31  -7.122   2.151  -2.454
  259   1HB   SER  31          2HB       SER  31  -5.563   4.484  -3.438
  260   2HB   SER  31          1HB       SER  31  -5.205   2.938  -4.203
  261    HG   SER  31           HG       SER  31  -7.230   2.819  -4.942
  262    H    CYS  32           H        CYS  32  -6.184   0.347  -1.543
  263    HA   CYS  32           HA       CYS  32  -3.332   0.462  -0.700
  264   1HB   CYS  32          2HB       CYS  32  -3.941  -1.618   0.485
  265   2HB   CYS  32          1HB       CYS  32  -5.094  -0.333   0.847
  266    H    VAL  33           H        VAL  33  -1.771  -0.905  -1.593
  267    HA   VAL  33           HA       VAL  33  -2.585  -2.819  -3.727
  268    HB   VAL  33           HB       VAL  33  -0.470  -0.664  -4.044
  269   1HG1  VAL  33          1HG1      VAL  33  -1.211  -1.474  -6.542
  270   2HG1  VAL  33          2HG1      VAL  33  -1.400  -2.978  -5.638
  271   3HG1  VAL  33          3HG1      VAL  33   0.157  -2.150  -5.658
  272   1HG2  VAL  33          1HG2      VAL  33  -2.620   0.432  -3.958
  273   2HG2  VAL  33          2HG2      VAL  33  -3.346  -0.797  -4.994
  274   3HG2  VAL  33          3HG2      VAL  33  -2.156   0.322  -5.657
  275    H    CYS  34           H        CYS  34  -1.458  -4.703  -3.405
  276    HA   CYS  34           HA       CYS  34   0.931  -4.633  -1.619
  277   1HB   CYS  34          2HB       CYS  34  -0.721  -6.979  -2.591
  278   2HB   CYS  34          1HB       CYS  34   0.369  -6.943  -1.206
  279    H    ASP  35           H        ASP  35   2.730  -6.140  -2.193
  280    HA   ASP  35           HA       ASP  35   3.724  -5.705  -4.844
  281   1HB   ASP  35          2HB       ASP  35   4.415  -7.350  -2.439
  282   2HB   ASP  35          1HB       ASP  35   5.243  -7.715  -3.953
  283    H    GLU  36           H        GLU  36   2.883  -6.657  -6.661
  284    HA   GLU  36           HA       GLU  36   1.045  -8.694  -6.923
  285   1HB   GLU  36          2HB       GLU  36   2.127  -9.058  -9.168
  286   2HB   GLU  36          1HB       GLU  36   1.872  -7.357  -8.777
  287   1HG   GLU  36          2HG       GLU  36   4.289  -7.485  -7.785
  288   2HG   GLU  36          1HG       GLU  36   4.439  -8.925  -8.795
  289    H    GLY  37           H        GLY  37   4.500  -9.070  -6.260
  290   1HA   GLY  37          2HA       GLY  37   4.317 -12.006  -6.529
  291   2HA   GLY  37          1HA       GLY  37   5.779 -11.092  -6.157
  292    H    TYR  38           H        TYR  38   2.606 -10.987  -4.537
  293    HA   TYR  38           HA       TYR  38   3.979 -11.941  -2.046
  294   1HB   TYR  38          2HB       TYR  38   3.106 -10.131  -0.897
  295   2HB   TYR  38          1HB       TYR  38   3.241  -9.407  -2.495
  296    HD1  TYR  38           HD1      TYR  38   1.119  -9.726   0.212
  297    HD2  TYR  38           HD2      TYR  38   1.070 -10.079  -4.069
  298    HE1  TYR  38           HE1      TYR  38  -1.329  -9.324   0.202
  299    HE2  TYR  38           HE2      TYR  38  -1.373  -9.676  -4.078
  300    HH   TYR  38           HH       TYR  38  -3.019  -8.318  -1.761
  301    H    ILE  39           H        ILE  39   2.287 -12.738  -0.392
  302    HA   ILE  39           HA       ILE  39  -0.188 -13.830  -1.618
  303    HB   ILE  39           HB       ILE  39   2.176 -15.407  -0.584
  304   1HG1  ILE  39          2HG1      ILE  39   0.487 -15.575  -3.103
  305   2HG1  ILE  39          1HG1      ILE  39   2.101 -14.870  -2.995
  306   1HG2  ILE  39          1HG2      ILE  39   0.364 -16.438   0.550
  307   2HG2  ILE  39          2HG2      ILE  39   0.572 -17.402  -0.912
  308   3HG2  ILE  39          3HG2      ILE  39  -0.726 -16.212  -0.817
  309   1HD1  ILE  39          1HD1      ILE  39   2.119 -17.225  -3.847
  310   2HD1  ILE  39          2HD1      ILE  39   1.447 -17.748  -2.302
  311   3HD1  ILE  39          3HD1      ILE  39   3.051 -17.018  -2.364
  312    H    GLY  40           H        GLY  40  -1.796 -14.201  -0.050
  313   1HA   GLY  40          2HA       GLY  40  -2.207 -14.806   2.389
  314   2HA   GLY  40          1HA       GLY  40  -1.024 -13.554   2.768
  315    H    ALA  41           H        ALA  41  -3.870 -13.671   3.553
  316    HA   ALA  41           HA       ALA  41  -5.409 -11.814   1.968
  317   1HB   ALA  41          1HB       ALA  41  -6.976 -12.516   3.440
  318   2HB   ALA  41          2HB       ALA  41  -6.054 -11.879   4.803
  319   3HB   ALA  41          3HB       ALA  41  -5.721 -13.501   4.193
  320    H    ARG  42           H        ARG  42  -3.608 -11.405   5.044
  321    HA   ARG  42           HA       ARG  42  -3.899  -8.466   4.858
  322   1HB   ARG  42          2HB       ARG  42  -3.142 -10.534   6.846
  323   2HB   ARG  42          1HB       ARG  42  -2.322  -8.982   7.023
  324   1HG   ARG  42          2HG       ARG  42  -4.482  -7.818   7.059
  325   2HG   ARG  42          1HG       ARG  42  -5.326  -9.348   6.818
  326   1HD   ARG  42          2HD       ARG  42  -4.421 -10.190   8.966
  327   2HD   ARG  42          1HD       ARG  42  -3.594  -8.639   9.215
  328    HE   ARG  42           HE       ARG  42  -6.534  -8.618   8.736
  329   1HH1  ARG  42          1HH2      ARG  42  -4.531  -9.175  11.329
  330   2HH1  ARG  42          2HH2      ARG  42  -5.060  -7.824  12.275
  331   1HH2  ARG  42          1HH1      ARG  42  -6.915  -6.413   9.706
  332   2HH2  ARG  42          2HH1      ARG  42  -6.410  -6.260  11.357
  333    H    CYS  43           H        CYS  43  -2.052 -10.448   3.180
  334    HA   CYS  43           HA       CYS  43   0.000 -10.152   2.041
  335   1HB   CYS  43          2HB       CYS  43   0.205  -7.525   3.523
  336   2HB   CYS  43          1HB       CYS  43   0.799  -7.917   1.910
  337    H    GLU  44           H        GLU  44   0.236 -11.803   4.134
  338    HA   GLU  44           HA       GLU  44   2.485 -10.792   5.831
  339   1HB   GLU  44          2HB       GLU  44   0.524 -13.093   6.084
  340   2HB   GLU  44          1HB       GLU  44   1.828 -12.784   7.232
  341   1HG   GLU  44          2HG       GLU  44   0.171 -10.423   6.625
  342   2HG   GLU  44          1HG       GLU  44  -0.697 -11.728   7.435
  343    H    ARG  45           H        ARG  45   1.768 -12.880   3.192
  344    HA   ARG  45           HA       ARG  45   4.343 -14.363   3.614
  345   1HB   ARG  45          2HB       ARG  45   1.628 -15.091   2.840
  346   2HB   ARG  45          1HB       ARG  45   2.811 -15.654   1.658
  347   1HG   ARG  45          2HG       ARG  45   2.749 -17.413   3.218
  348   2HG   ARG  45          1HG       ARG  45   4.152 -16.476   3.732
  349   1HD   ARG  45          2HD       ARG  45   3.053 -16.676   5.773
  350   2HD   ARG  45          1HD       ARG  45   2.274 -15.197   5.174
  351    HE   ARG  45           HE       ARG  45   0.538 -16.821   4.150
  352   1HH1  ARG  45          1HH2      ARG  45   1.689 -16.708   7.315
  353   2HH1  ARG  45          2HH2      ARG  45   0.853 -18.128   7.851
  354   1HH2  ARG  45          1HH1      ARG  45  -0.245 -19.001   4.680
  355   2HH2  ARG  45          2HH1      ARG  45  -0.242 -19.426   6.359
  356    H    VAL  46           H        VAL  46   5.305 -15.051   1.392
  357    HA   VAL  46           HA       VAL  46   4.875 -12.996  -0.725
  358    HB   VAL  46           HB       VAL  46   6.611 -12.134   0.773
  359   1HG1  VAL  46          1HG1      VAL  46   7.251 -14.883   1.028
  360   2HG1  VAL  46          2HG1      VAL  46   8.019 -13.523   1.847
  361   3HG1  VAL  46          3HG1      VAL  46   8.662 -14.104   0.312
  362   1HG2  VAL  46          1HG2      VAL  46   8.151 -13.276  -1.542
  363   2HG2  VAL  46          2HG2      VAL  46   8.201 -11.645  -0.871
  364   3HG2  VAL  46          3HG2      VAL  46   6.825 -12.156  -1.849
  365    H    ASP  47           H        ASP  47   5.716 -13.702  -2.810
  366    HA   ASP  47           HA       ASP  47   6.467 -16.604  -2.926
  367   1HB   ASP  47          2HB       ASP  47   4.034 -15.877  -3.480
  368   2HB   ASP  47          1HB       ASP  47   4.728 -15.198  -4.953
  369    H    LEU  48           H        LEU  48   8.706 -15.692  -3.135
  370    HA   LEU  48           HA       LEU  48   9.215 -14.478  -5.827
  371   1HB   LEU  48          2HB       LEU  48   9.864 -13.607  -3.304
  372   2HB   LEU  48          1HB       LEU  48  11.333 -14.468  -3.770
  373    HG   LEU  48           HG       LEU  48  11.043 -13.165  -6.031
  374   1HD1  LEU  48          1HD1      LEU  48   9.397 -11.633  -6.091
  375   2HD1  LEU  48          2HD1      LEU  48  10.082 -10.831  -4.678
  376   3HD1  LEU  48          3HD1      LEU  48   8.896 -12.120  -4.472
  377   1HD2  LEU  48          1HD2      LEU  48  12.546 -12.789  -3.712
  378   2HD2  LEU  48          2HD2      LEU  48  11.869 -11.192  -4.039
  379   3HD2  LEU  48          3HD2      LEU  48  12.834 -12.010  -5.268
  380    H    PHE  49           H        PHE  49  12.035 -15.065  -5.739
  381    HA   PHE  49           HA       PHE  49  11.998 -17.804  -6.748
  382   1HB   PHE  49          2HB       PHE  49  14.094 -15.661  -6.319
  383   2HB   PHE  49          1HB       PHE  49  14.488 -17.238  -7.004
  384    HD1  PHE  49           HD1      PHE  49  12.462 -14.164  -7.490
  385    HD2  PHE  49           HD2      PHE  49  13.896 -17.808  -9.255
  386    HE1  PHE  49           HE1      PHE  49  11.679 -13.394  -9.714
  387    HE2  PHE  49           HE2      PHE  49  13.112 -17.039 -11.478
  388    HZ   PHE  49           HZ       PHE  49  12.004 -14.833 -11.708
  389    H    TYR  50           H        TYR  50  12.021 -16.665  -3.652
  390    HA   TYR  50           HA       TYR  50  14.092 -18.490  -2.580
  391   1HB   TYR  50          2HB       TYR  50  12.970 -16.042  -1.844
  392   2HB   TYR  50          1HB       TYR  50  12.285 -17.183  -0.686
  393    HD1  TYR  50           HD1      TYR  50  14.451 -19.186  -0.471
  394    HD2  TYR  50           HD2      TYR  50  14.644 -14.898  -0.635
  395    HE1  TYR  50           HE1      TYR  50  16.607 -19.237   0.752
  396    HE2  TYR  50           HE2      TYR  50  16.800 -14.949   0.589
  397    HH   TYR  50           HH       TYR  50  18.069 -16.365   2.018
  Start of MODEL    9
    1   1H    ARG   1          H1        ARG   1   0.803  14.721 -13.555
    2   2H    ARG   1          H2        ARG   1   1.218  14.881 -15.194
    3   3H    ARG   1          H3        ARG   1   1.667  16.082 -14.080
    4    HA   ARG   1           HA       ARG   1   3.204  13.938 -14.886
    5   1HB   ARG   1          2HB       ARG   1   3.207  16.106 -12.815
    6   2HB   ARG   1          1HB       ARG   1   4.502  14.910 -12.774
    7   1HG   ARG   1          2HG       ARG   1   5.191  16.810 -14.151
    8   2HG   ARG   1          1HG       ARG   1   4.979  15.387 -15.172
    9   1HD   ARG   1          2HD       ARG   1   2.726  16.171 -15.819
   10   2HD   ARG   1          1HD       ARG   1   2.933  17.604 -14.794
   11    HE   ARG   1           HE       ARG   1   5.028  17.092 -16.829
   12   1HH1  ARG   1          1HH1      ARG   1   4.347  19.683 -15.263
   13   2HH1  ARG   1          2HH1      ARG   1   3.682  20.646 -16.540
   14   1HH2  ARG   1          1HH2      ARG   1   3.271  17.969 -18.704
   15   2HH2  ARG   1          2HH2      ARG   1   3.073  19.676 -18.487
   16    H    LYS   2           H        LYS   2   2.420  11.849 -14.377
   17    HA   LYS   2           HA       LYS   2   1.955   9.972 -13.015
   18   1HB   LYS   2          2HB       LYS   2   3.846  11.661 -11.353
   19   2HB   LYS   2          1HB       LYS   2   3.394  10.014 -10.913
   20   1HG   LYS   2          2HG       LYS   2   4.626   9.079 -12.600
   21   2HG   LYS   2          1HG       LYS   2   4.304  10.411 -13.711
   22   1HD   LYS   2          2HD       LYS   2   6.284  11.346 -13.209
   23   2HD   LYS   2          1HD       LYS   2   5.847  11.401 -11.501
   24   1HE   LYS   2          2HE       LYS   2   7.906  10.062 -11.828
   25   2HE   LYS   2          1HE       LYS   2   6.582   9.022 -11.267
   26   1HZ   LYS   2          1HZ       LYS   2   7.982   8.500 -13.462
   27   2HZ   LYS   2          2HZ       LYS   2   6.757   9.463 -14.137
   28   3HZ   LYS   2          3HZ       LYS   2   6.357   8.052 -13.279
   29    H    GLY   3           H        GLY   3   2.349  12.008 -10.188
   30   1HA   GLY   3          2HA       GLY   3  -0.232  12.974  -9.741
   31   2HA   GLY   3          1HA       GLY   3  -0.273  11.298  -9.191
   32    H    HIS   4           H        HIS   4  -0.596  13.515  -7.429
   33    HA   HIS   4           HA       HIS   4   1.885  13.227  -5.768
   34   1HB   HIS   4          2HB       HIS   4   0.448  15.582  -6.818
   35   2HB   HIS   4          1HB       HIS   4   0.836  15.679  -5.100
   36    HD1  HIS   4           HD1      HIS   4   3.249  16.107  -4.473
   37    HD2  HIS   4           HD2      HIS   4   2.808  15.171  -8.512
   38    HE1  HIS   4           HE1      HIS   4   5.507  16.502  -5.551
   39    H    PHE   5           H        PHE   5   0.495  11.438  -4.800
   40    HA   PHE   5           HA       PHE   5  -1.729  12.459  -3.089
   41   1HB   PHE   5          2HB       PHE   5  -0.813   9.638  -3.737
   42   2HB   PHE   5          1HB       PHE   5  -2.321  10.087  -2.940
   43    HD1  PHE   5           HD1      PHE   5  -4.070  11.361  -4.188
   44    HD2  PHE   5           HD2      PHE   5  -0.565   9.800  -6.119
   45    HE1  PHE   5           HE1      PHE   5  -5.163  11.640  -6.397
   46    HE2  PHE   5           HE2      PHE   5  -1.656  10.080  -8.328
   47    HZ   PHE   5           HZ       PHE   5  -3.956  11.000  -8.466
   48    H    SER   6           H        SER   6  -1.453  10.246  -1.204
   49    HA   SER   6           HA       SER   6   1.095  11.009   0.186
   50   1HB   SER   6          2HB       SER   6  -1.670  10.583   1.360
   51   2HB   SER   6          1HB       SER   6  -0.229  11.040   2.263
   52    HG   SER   6           HG       SER   6  -0.400  13.018   1.531
   53    H    ARG   7           H        ARG   7   2.242   9.268   0.989
   54    HA   ARG   7           HA       ARG   7   1.135   6.551   0.521
   55   1HB   ARG   7          2HB       ARG   7   3.353   7.126  -0.340
   56   2HB   ARG   7          1HB       ARG   7   3.876   7.624   1.270
   57   1HG   ARG   7          2HG       ARG   7   3.890   5.421   2.086
   58   2HG   ARG   7          1HG       ARG   7   2.833   4.839   0.800
   59   1HD   ARG   7          2HD       ARG   7   4.984   4.049   0.164
   60   2HD   ARG   7          1HD       ARG   7   4.787   5.526  -0.799
   61    HE   ARG   7           HE       ARG   7   6.235   6.694   0.762
   62   1HH1  ARG   7          1HH2      ARG   7   7.750   4.111   0.221
   63   2HH1  ARG   7          2HH2      ARG   7   8.211   3.649   1.825
   64   1HH2  ARG   7          1HH1      ARG   7   5.957   5.781   3.372
   65   2HH2  ARG   7          2HH1      ARG   7   7.196   4.595   3.610
   66    H    CYS   8           H        CYS   8   0.415   5.304   2.211
   67    HA   CYS   8           HA       CYS   8   0.238   6.340   4.895
   68   1HB   CYS   8          2HB       CYS   8  -0.832   4.271   3.313
   69   2HB   CYS   8          1HB       CYS   8  -0.036   3.459   4.660
   70    HA   PRO   9           HA       PRO   9   4.342   5.087   6.105
   71   1HB   PRO   9          2HB       PRO   9   4.125   5.842   8.726
   72   2HB   PRO   9          1HB       PRO   9   4.400   6.998   7.408
   73   1HG   PRO   9          2HG       PRO   9   1.883   6.332   8.847
   74   2HG   PRO   9          1HG       PRO   9   2.467   7.896   8.258
   75   1HD   PRO   9          2HD       PRO   9   0.568   6.407   6.976
   76   2HD   PRO   9          1HD       PRO   9   1.645   7.557   6.152
   77    H    LYS  10           H        LYS  10   5.229   3.604   7.882
   78    HA   LYS  10           HA       LYS  10   3.850   1.128   7.975
   79   1HB   LYS  10          2HB       LYS  10   6.231   2.410   9.097
   80   2HB   LYS  10          1HB       LYS  10   5.553   1.193  10.178
   81   1HG   LYS  10          2HG       LYS  10   5.971   0.632   7.241
   82   2HG   LYS  10          1HG       LYS  10   7.259   0.380   8.421
   83   1HD   LYS  10          2HD       LYS  10   5.359  -0.920   9.732
   84   2HD   LYS  10          1HD       LYS  10   4.654  -1.067   8.122
   85   1HE   LYS  10          2HE       LYS  10   7.054  -1.848   7.410
   86   2HE   LYS  10          1HE       LYS  10   7.264  -2.172   9.142
   87   1HZ   LYS  10          1HZ       LYS  10   4.836  -3.145   8.789
   88   2HZ   LYS  10          2HZ       LYS  10   6.231  -4.093   8.580
   89   3HZ   LYS  10          3HZ       LYS  10   5.447  -3.420   7.231
   90    H    GLN  11           H        GLN  11   3.597   3.956  10.024
   91    HA   GLN  11           HA       GLN  11   2.473   2.774  12.369
   92   1HB   GLN  11          2HB       GLN  11   3.318   5.193  11.727
   93   2HB   GLN  11          1HB       GLN  11   1.625   5.452  11.303
   94   1HG   GLN  11          2HG       GLN  11   2.318   4.210  13.950
   95   2HG   GLN  11          1HG       GLN  11   2.427   5.960  13.751
   96   1HE2  GLN  11          1HE2      GLN  11   0.313   6.841  12.477
   97   2HE2  GLN  11          2HE2      GLN  11  -1.158   6.256  13.087
   98    H    TYR  12           H        TYR  12   1.014   3.740   9.283
   99    HA   TYR  12           HA       TYR  12  -1.669   2.901  10.305
  100   1HB   TYR  12          2HB       TYR  12  -0.630   4.671   8.100
  101   2HB   TYR  12          1HB       TYR  12  -2.284   4.061   8.040
  102    HD1  TYR  12           HD1      TYR  12  -0.385   6.782   9.043
  103    HD2  TYR  12           HD2      TYR  12  -3.481   4.188  10.505
  104    HE1  TYR  12           HE1      TYR  12  -1.094   8.533  10.650
  105    HE2  TYR  12           HE2      TYR  12  -4.189   5.939  12.112
  106    HH   TYR  12           HH       TYR  12  -2.294   8.776  12.690
  107    H    LYS  13           H        LYS  13   0.819   1.335   9.012
  108    HA   LYS  13           HA       LYS  13  -0.537   0.047   6.718
  109   1HB   LYS  13          2HB       LYS  13   2.113   0.526   7.646
  110   2HB   LYS  13          1HB       LYS  13   1.899  -1.223   7.564
  111   1HG   LYS  13          2HG       LYS  13   2.296  -1.033   5.348
  112   2HG   LYS  13          1HG       LYS  13   0.689  -0.314   5.233
  113   1HD   LYS  13          2HD       LYS  13   1.512   1.861   5.185
  114   2HD   LYS  13          1HD       LYS  13   3.007   1.422   6.014
  115   1HE   LYS  13          2HE       LYS  13   2.838  -0.043   3.531
  116   2HE   LYS  13          1HE       LYS  13   2.636   1.693   3.219
  117   1HZ   LYS  13          1HZ       LYS  13   4.928   1.455   3.336
  118   2HZ   LYS  13          2HZ       LYS  13   4.856   0.308   4.588
  119   3HZ   LYS  13          3HZ       LYS  13   4.533   1.945   4.910
  120    H    HIS  14           H        HIS  14  -1.872  -0.316   9.259
  121    HA   HIS  14           HA       HIS  14  -1.132  -2.990  10.255
  122   1HB   HIS  14          2HB       HIS  14  -3.300  -0.956  10.836
  123   2HB   HIS  14          1HB       HIS  14  -3.232  -2.519  11.651
  124    HD1  HIS  14           HD1      HIS  14  -2.235   0.811  12.220
  125    HD2  HIS  14           HD2      HIS  14  -0.288  -2.848  12.670
  126    HE1  HIS  14           HE1      HIS  14  -0.316   1.213  13.822
  127    H    TYR  15           H        TYR  15  -3.202  -1.617   7.857
  128    HA   TYR  15           HA       TYR  15  -4.955  -4.002   7.736
  129   1HB   TYR  15          2HB       TYR  15  -5.931  -2.644   5.807
  130   2HB   TYR  15          1HB       TYR  15  -6.002  -1.862   7.385
  131    HD1  TYR  15           HD1      TYR  15  -5.301   0.345   7.526
  132    HD2  TYR  15           HD2      TYR  15  -3.633  -2.186   4.480
  133    HE1  TYR  15           HE1      TYR  15  -4.006   2.264   6.641
  134    HE2  TYR  15           HE2      TYR  15  -2.336  -0.265   3.597
  135    HH   TYR  15           HH       TYR  15  -1.442   2.052   4.788
  136    H    CYS  16           H        CYS  16  -1.858  -3.358   6.803
  137    HA   CYS  16           HA       CYS  16  -1.912  -5.459   4.740
  138   1HB   CYS  16          2HB       CYS  16  -1.669  -2.536   4.186
  139   2HB   CYS  16          1HB       CYS  16  -0.630  -3.618   3.258
  140    H    ILE  17           H        ILE  17  -0.062  -6.634   5.090
  141    HA   ILE  17           HA       ILE  17   2.077  -5.565   6.782
  142    HB   ILE  17           HB       ILE  17   1.530  -8.152   5.312
  143   1HG1  ILE  17          2HG1      ILE  17   0.170  -7.807   7.286
  144   2HG1  ILE  17          1HG1      ILE  17   1.418  -8.983   7.696
  145   1HG2  ILE  17          1HG2      ILE  17   3.517  -8.918   6.863
  146   2HG2  ILE  17          2HG2      ILE  17   3.989  -7.221   6.764
  147   3HG2  ILE  17          3HG2      ILE  17   3.864  -8.189   5.296
  148   1HD1  ILE  17          1HD1      ILE  17   2.798  -6.966   8.517
  149   2HD1  ILE  17          2HD1      ILE  17   1.427  -7.458   9.512
  150   3HD1  ILE  17          3HD1      ILE  17   1.286  -6.061   8.445
  151    H    LYS  18           H        LYS  18   2.409  -7.265   3.648
  152    HA   LYS  18           HA       LYS  18   4.663  -5.431   2.986
  153   1HB   LYS  18          2HB       LYS  18   5.395  -7.204   1.575
  154   2HB   LYS  18          1HB       LYS  18   4.749  -8.011   3.002
  155   1HG   LYS  18          2HG       LYS  18   2.496  -7.966   1.612
  156   2HG   LYS  18          1HG       LYS  18   3.598  -7.834   0.242
  157   1HD   LYS  18          2HD       LYS  18   3.568 -10.019   2.341
  158   2HD   LYS  18          1HD       LYS  18   3.160 -10.185   0.633
  159   1HE   LYS  18          2HE       LYS  18   5.891  -9.511   1.786
  160   2HE   LYS  18          1HE       LYS  18   5.434 -10.983   0.906
  161   1HZ   LYS  18          1HZ       LYS  18   6.111  -9.816  -0.881
  162   2HZ   LYS  18          2HZ       LYS  18   5.947  -8.312  -0.108
  163   3HZ   LYS  18          3HZ       LYS  18   4.586  -9.084  -0.770
  164    H    GLY  19           H        GLY  19   2.268  -4.109   2.728
  165   1HA   GLY  19          2HA       GLY  19   2.020  -3.888  -0.227
  166   2HA   GLY  19          1HA       GLY  19   0.551  -4.066   0.731
  167    H    ARG  20           H        ARG  20   1.712  -1.770  -0.928
  168    HA   ARG  20           HA       ARG  20   1.960   0.334   1.168
  169   1HB   ARG  20          2HB       ARG  20   2.371   0.229  -1.837
  170   2HB   ARG  20          1HB       ARG  20   2.547   1.707  -0.888
  171   1HG   ARG  20          2HG       ARG  20   4.586   1.088  -0.149
  172   2HG   ARG  20          1HG       ARG  20   4.001  -0.511   0.314
  173   1HD   ARG  20          2HD       ARG  20   5.713  -0.764  -1.423
  174   2HD   ARG  20          1HD       ARG  20   4.134  -1.186  -2.119
  175    HE   ARG  20           HE       ARG  20   4.065   1.244  -2.927
  176   1HH1  ARG  20          1HH1      ARG  20   6.917   1.268  -1.421
  177   2HH1  ARG  20          2HH1      ARG  20   7.922   1.505  -2.811
  178   1HH2  ARG  20          1HH2      ARG  20   5.392   0.831  -5.085
  179   2HH2  ARG  20          2HH2      ARG  20   7.059   1.258  -4.887
  180    H    CYS  21           H        CYS  21   0.370   1.931   1.407
  181    HA   CYS  21           HA       CYS  21  -2.100   1.593  -0.264
  182   1HB   CYS  21          2HB       CYS  21  -2.382   0.935   2.062
  183   2HB   CYS  21          1HB       CYS  21  -1.663   2.447   2.613
  184    H    ARG  22           H        ARG  22  -2.503   3.324  -1.571
  185    HA   ARG  22           HA       ARG  22  -1.138   5.910  -1.047
  186   1HB   ARG  22          2HB       ARG  22  -2.689   4.683  -3.341
  187   2HB   ARG  22          1HB       ARG  22  -2.145   6.361  -3.365
  188   1HG   ARG  22          2HG       ARG  22   0.178   5.267  -2.693
  189   2HG   ARG  22          1HG       ARG  22  -0.529   3.843  -3.458
  190   1HD   ARG  22          2HD       ARG  22  -0.851   6.375  -4.976
  191   2HD   ARG  22          1HD       ARG  22   0.807   5.751  -4.860
  192    HE   ARG  22           HE       ARG  22  -1.272   4.550  -6.420
  193   1HH1  ARG  22          1HH1      ARG  22   1.864   4.096  -6.008
  194   2HH1  ARG  22          2HH1      ARG  22   1.850   2.376  -5.802
  195   1HH2  ARG  22          1HH2      ARG  22  -1.583   2.191  -5.356
  196   2HH2  ARG  22          2HH2      ARG  22  -0.100   1.298  -5.433
  197    H    PHE  23           H        PHE  23  -2.323   7.062   0.491
  198    HA   PHE  23           HA       PHE  23  -5.284   7.079   0.357
  199   1HB   PHE  23          2HB       PHE  23  -3.661   6.928   2.425
  200   2HB   PHE  23          1HB       PHE  23  -3.586   8.682   2.251
  201    HD1  PHE  23           HD1      PHE  23  -6.071   9.709   1.665
  202    HD2  PHE  23           HD2      PHE  23  -5.244   6.168   3.953
  203    HE1  PHE  23           HE1      PHE  23  -8.274   9.916   2.781
  204    HE2  PHE  23           HE2      PHE  23  -7.448   6.377   5.071
  205    HZ   PHE  23           HZ       PHE  23  -8.964   8.251   4.486
  206    H    VAL  24           H        VAL  24  -6.239   8.567  -0.961
  207    HA   VAL  24           HA       VAL  24  -4.784  10.959  -1.871
  208    HB   VAL  24           HB       VAL  24  -7.610   9.950  -2.337
  209   1HG1  VAL  24          1HG1      VAL  24  -7.849  11.575  -3.965
  210   2HG1  VAL  24          2HG1      VAL  24  -6.113  11.693  -4.251
  211   3HG1  VAL  24          3HG1      VAL  24  -6.825  12.448  -2.825
  212   1HG2  VAL  24          1HG2      VAL  24  -5.031   9.026  -3.255
  213   2HG2  VAL  24          2HG2      VAL  24  -5.964   9.641  -4.618
  214   3HG2  VAL  24          3HG2      VAL  24  -6.628   8.362  -3.602
  215    H    VAL  25           H        VAL  25  -4.791  12.782  -0.631
  216    HA   VAL  25           HA       VAL  25  -6.744  13.181   1.519
  217    HB   VAL  25           HB       VAL  25  -4.534  14.935   0.399
  218   1HG1  VAL  25          1HG1      VAL  25  -6.269  15.046   2.853
  219   2HG1  VAL  25          2HG1      VAL  25  -5.808  16.351   1.759
  220   3HG1  VAL  25          3HG1      VAL  25  -4.632  15.702   2.904
  221   1HG2  VAL  25          1HG2      VAL  25  -3.273  13.992   2.390
  222   2HG2  VAL  25          2HG2      VAL  25  -3.588  12.833   1.100
  223   3HG2  VAL  25          3HG2      VAL  25  -4.574  12.813   2.562
  224    H    ALA  26           H        ALA  26  -5.729  15.380  -1.140
  225    HA   ALA  26           HA       ALA  26  -7.765  17.235  -1.108
  226   1HB   ALA  26          1HB       ALA  26  -6.340  17.672  -2.840
  227   2HB   ALA  26          2HB       ALA  26  -7.484  16.736  -3.800
  228   3HB   ALA  26          3HB       ALA  26  -6.043  15.961  -3.142
  229    H    GLU  27           H        GLU  27  -7.945  13.931  -2.349
  230    HA   GLU  27           HA       GLU  27 -10.922  14.234  -2.577
  231   1HB   GLU  27          2HB       GLU  27  -8.831  13.290  -4.421
  232   2HB   GLU  27          1HB       GLU  27 -10.169  12.154  -4.248
  233   1HG   GLU  27          2HG       GLU  27 -11.242  14.807  -4.435
  234   2HG   GLU  27          1HG       GLU  27 -10.113  14.559  -5.769
  235    H    GLN  28           H        GLN  28 -11.167  13.411  -0.406
  236    HA   GLN  28           HA       GLN  28 -10.028  11.379   0.987
  237   1HB   GLN  28          2HB       GLN  28 -12.120  12.741   1.482
  238   2HB   GLN  28          1HB       GLN  28 -13.020  11.544   0.549
  239   1HG   GLN  28          2HG       GLN  28 -12.411   9.782   2.061
  240   2HG   GLN  28          1HG       GLN  28 -11.234  10.809   2.880
  241   1HE2  GLN  28          1HE2      GLN  28 -14.750  10.391   2.346
  242   2HE2  GLN  28          2HE2      GLN  28 -15.223  11.246   3.734
  243    H    THR  29           H        THR  29  -9.075   9.774  -0.410
  244    HA   THR  29           HA       THR  29 -10.979   7.623  -1.178
  245    HB   THR  29           HB       THR  29  -9.125   9.132  -3.036
  246    HG1  THR  29           1HG      THR  29 -11.167   9.109  -4.242
  247   1HG2  THR  29          1HG2      THR  29  -9.890   6.317  -3.063
  248   2HG2  THR  29          2HG2      THR  29  -8.707   7.165  -4.060
  249   3HG2  THR  29          3HG2      THR  29 -10.410   7.160  -4.522
  250    HA   PRO  30           HA       PRO  30  -7.122   6.021   0.691
  251   1HB   PRO  30          2HB       PRO  30  -8.366   4.066   2.144
  252   2HB   PRO  30          1HB       PRO  30  -8.201   5.737   2.718
  253   1HG   PRO  30          2HG       PRO  30 -10.554   4.368   1.531
  254   2HG   PRO  30          1HG       PRO  30 -10.482   5.583   2.817
  255   1HD   PRO  30          2HD       PRO  30 -11.181   6.120   0.214
  256   2HD   PRO  30          1HD       PRO  30 -10.516   7.322   1.343
  257    H    SER  31           H        SER  31  -6.061   4.776  -0.818
  258    HA   SER  31           HA       SER  31  -7.515   2.418  -1.975
  259   1HB   SER  31          2HB       SER  31  -5.872   4.595  -3.060
  260   2HB   SER  31          1HB       SER  31  -5.359   3.005  -3.617
  261    HG   SER  31           HG       SER  31  -8.072   3.804  -3.604
  262    H    CYS  32           H        CYS  32  -6.696   0.482  -1.280
  263    HA   CYS  32           HA       CYS  32  -3.944   0.429  -0.120
  264   1HB   CYS  32          2HB       CYS  32  -4.746  -1.521   1.059
  265   2HB   CYS  32          1HB       CYS  32  -6.014  -0.300   1.156
  266    H    VAL  33           H        VAL  33  -2.343  -0.762  -1.118
  267    HA   VAL  33           HA       VAL  33  -3.117  -2.699  -3.258
  268    HB   VAL  33           HB       VAL  33  -0.972  -0.571  -3.522
  269   1HG1  VAL  33          1HG1      VAL  33  -0.653  -1.362  -5.663
  270   2HG1  VAL  33          2HG1      VAL  33  -2.325  -1.897  -5.827
  271   3HG1  VAL  33          3HG1      VAL  33  -1.177  -2.864  -4.901
  272   1HG2  VAL  33          1HG2      VAL  33  -3.847  -0.592  -4.494
  273   2HG2  VAL  33          2HG2      VAL  33  -2.622   0.548  -5.054
  274   3HG2  VAL  33          3HG2      VAL  33  -3.124   0.552  -3.362
  275    H    CYS  34           H        CYS  34  -2.038  -4.596  -2.883
  276    HA   CYS  34           HA       CYS  34   0.269  -4.613  -1.022
  277   1HB   CYS  34          2HB       CYS  34  -1.169  -6.901  -2.393
  278   2HB   CYS  34          1HB       CYS  34  -0.192  -6.980  -0.927
  279    H    ASP  35           H        ASP  35   2.204  -5.924  -1.626
  280    HA   ASP  35           HA       ASP  35   3.488  -5.108  -3.981
  281   1HB   ASP  35          2HB       ASP  35   3.919  -6.822  -1.756
  282   2HB   ASP  35          1HB       ASP  35   4.348  -7.743  -3.198
  283    H    GLU  36           H        GLU  36   3.255  -5.701  -6.103
  284    HA   GLU  36           HA       GLU  36   1.213  -7.281  -7.156
  285   1HB   GLU  36          2HB       GLU  36   3.905  -6.332  -8.017
  286   2HB   GLU  36          1HB       GLU  36   3.139  -7.563  -9.023
  287   1HG   GLU  36          2HG       GLU  36   1.882  -4.927  -8.201
  288   2HG   GLU  36          1HG       GLU  36   2.538  -5.298  -9.796
  289    H    GLY  37           H        GLY  37   4.570  -8.330  -6.464
  290   1HA   GLY  37          2HA       GLY  37   3.809 -11.135  -6.990
  291   2HA   GLY  37          1HA       GLY  37   5.437 -10.555  -6.642
  292    H    TYR  38           H        TYR  38   2.402 -10.102  -4.814
  293    HA   TYR  38           HA       TYR  38   3.807 -11.294  -2.451
  294   1HB   TYR  38          2HB       TYR  38   2.845  -9.621  -1.185
  295   2HB   TYR  38          1HB       TYR  38   2.864  -8.791  -2.736
  296    HD1  TYR  38           HD1      TYR  38   0.875  -9.367   0.005
  297    HD2  TYR  38           HD2      TYR  38   0.700  -9.628  -4.281
  298    HE1  TYR  38           HE1      TYR  38  -1.597  -9.177   0.090
  299    HE2  TYR  38           HE2      TYR  38  -1.770  -9.437  -4.193
  300    HH   TYR  38           HH       TYR  38  -3.553  -9.267  -2.893
  301    H    ILE  39           H        ILE  39   2.367 -12.524  -0.944
  302    HA   ILE  39           HA       ILE  39  -0.109 -13.613  -2.205
  303    HB   ILE  39           HB       ILE  39   2.316 -15.168  -1.248
  304   1HG1  ILE  39          2HG1      ILE  39   2.415 -14.190  -3.548
  305   2HG1  ILE  39          1HG1      ILE  39   2.404 -15.953  -3.561
  306   1HG2  ILE  39          1HG2      ILE  39   0.914 -16.867  -0.794
  307   2HG2  ILE  39          2HG2      ILE  39   0.408 -16.859  -2.483
  308   3HG2  ILE  39          3HG2      ILE  39  -0.471 -15.897  -1.294
  309   1HD1  ILE  39          1HD1      ILE  39  -0.265 -15.460  -3.645
  310   2HD1  ILE  39          2HD1      ILE  39   0.729 -15.663  -5.088
  311   3HD1  ILE  39          3HD1      ILE  39   0.340 -14.045  -4.503
  312    H    GLY  40           H        GLY  40  -1.629 -14.341  -0.660
  313   1HA   GLY  40          2HA       GLY  40  -2.003 -15.179   1.681
  314   2HA   GLY  40          1HA       GLY  40  -0.841 -13.959   2.203
  315    H    ALA  41           H        ALA  41  -3.532 -14.127   3.177
  316    HA   ALA  41           HA       ALA  41  -5.204 -12.163   1.820
  317   1HB   ALA  41          1HB       ALA  41  -5.556 -14.182   3.626
  318   2HB   ALA  41          2HB       ALA  41  -6.744 -12.911   3.338
  319   3HB   ALA  41          3HB       ALA  41  -5.618 -12.776   4.688
  320    H    ARG  42           H        ARG  42  -3.149 -12.136   4.749
  321    HA   ARG  42           HA       ARG  42  -3.632  -9.242   5.135
  322   1HB   ARG  42          2HB       ARG  42  -1.786 -11.148   6.606
  323   2HB   ARG  42          1HB       ARG  42  -2.438  -9.622   7.204
  324   1HG   ARG  42          2HG       ARG  42  -4.700 -10.528   7.184
  325   2HG   ARG  42          1HG       ARG  42  -4.125 -12.027   6.455
  326   1HD   ARG  42          2HD       ARG  42  -2.500 -11.907   8.638
  327   2HD   ARG  42          1HD       ARG  42  -3.964 -11.131   9.275
  328    HE   ARG  42           HE       ARG  42  -3.746 -13.924   8.417
  329   1HH1  ARG  42          1HH2      ARG  42  -5.363 -13.158  10.762
  330   2HH1  ARG  42          2HH2      ARG  42  -6.984 -13.227  10.156
  331   1HH2  ARG  42          1HH1      ARG  42  -6.024 -13.166   6.825
  332   2HH2  ARG  42          2HH1      ARG  42  -7.358 -13.229   7.928
  333    H    CYS  43           H        CYS  43  -1.818 -10.846   2.988
  334    HA   CYS  43           HA       CYS  43   0.046 -10.184   1.689
  335   1HB   CYS  43          2HB       CYS  43   0.218  -7.771   3.503
  336   2HB   CYS  43          1HB       CYS  43   0.646  -7.887   1.799
  337    H    GLU  44           H        GLU  44   0.516 -12.011   3.730
  338    HA   GLU  44           HA       GLU  44   3.008 -11.038   5.075
  339   1HB   GLU  44          2HB       GLU  44   1.152 -11.891   6.480
  340   2HB   GLU  44          1HB       GLU  44   1.209 -13.425   5.611
  341   1HG   GLU  44          2HG       GLU  44   2.662 -14.066   7.231
  342   2HG   GLU  44          1HG       GLU  44   3.837 -13.092   6.347
  343    H    ARG  45           H        ARG  45   1.727 -13.388   2.802
  344    HA   ARG  45           HA       ARG  45   4.265 -14.915   2.738
  345   1HB   ARG  45          2HB       ARG  45   1.543 -15.429   2.304
  346   2HB   ARG  45          1HB       ARG  45   2.271 -15.516   0.699
  347   1HG   ARG  45          2HG       ARG  45   2.929 -17.606   1.245
  348   2HG   ARG  45          1HG       ARG  45   4.096 -16.848   2.329
  349   1HD   ARG  45          2HD       ARG  45   2.076 -16.755   4.013
  350   2HD   ARG  45          1HD       ARG  45   1.412 -18.042   2.986
  351    HE   ARG  45           HE       ARG  45   4.172 -18.594   3.533
  352   1HH1  ARG  45          1HH1      ARG  45   2.213 -17.727   5.990
  353   2HH1  ARG  45          2HH1      ARG  45   2.065 -19.290   6.721
  354   1HH2  ARG  45          1HH2      ARG  45   3.492 -20.971   4.044
  355   2HH2  ARG  45          2HH2      ARG  45   2.790 -21.126   5.620
  356    H    VAL  46           H        VAL  46   4.934 -15.442   0.296
  357    HA   VAL  46           HA       VAL  46   4.768 -12.997  -1.404
  358    HB   VAL  46           HB       VAL  46   6.724 -12.720   0.027
  359   1HG1  VAL  46          1HG1      VAL  46   8.301 -14.961  -0.893
  360   2HG1  VAL  46          2HG1      VAL  46   6.815 -15.538  -0.140
  361   3HG1  VAL  46          3HG1      VAL  46   7.909 -14.488   0.760
  362   1HG2  VAL  46          1HG2      VAL  46   7.698 -13.741  -2.654
  363   2HG2  VAL  46          2HG2      VAL  46   8.411 -12.469  -1.664
  364   3HG2  VAL  46          3HG2      VAL  46   6.863 -12.199  -2.464
  365    H    ASP  47           H        ASP  47   5.171 -13.450  -3.640
  366    HA   ASP  47           HA       ASP  47   4.940 -16.332  -4.356
  367   1HB   ASP  47          2HB       ASP  47   3.571 -14.114  -5.127
  368   2HB   ASP  47          1HB       ASP  47   4.800 -14.173  -6.393
  369    H    LEU  48           H        LEU  48   7.413 -16.310  -3.669
  370    HA   LEU  48           HA       LEU  48   9.093 -15.433  -5.990
  371   1HB   LEU  48          2HB       LEU  48   9.308 -15.294  -3.119
  372   2HB   LEU  48          1HB       LEU  48  10.652 -16.244  -3.755
  373    HG   LEU  48           HG       LEU  48  11.092 -13.758  -3.640
  374   1HD1  LEU  48          1HD1      LEU  48  11.165 -15.258  -6.262
  375   2HD1  LEU  48          2HD1      LEU  48  12.480 -15.004  -5.115
  376   3HD1  LEU  48          3HD1      LEU  48  11.884 -13.657  -6.085
  377   1HD2  LEU  48          1HD2      LEU  48   9.910 -12.254  -4.990
  378   2HD2  LEU  48          2HD2      LEU  48   8.629 -13.341  -4.451
  379   3HD2  LEU  48          3HD2      LEU  48   9.323 -13.526  -6.062
  380    H    PHE  49           H        PHE  49   7.618 -17.790  -6.360
  381    HA   PHE  49           HA       PHE  49   9.057 -20.169  -5.549
  382   1HB   PHE  49          2HB       PHE  49   6.793 -19.363  -7.271
  383   2HB   PHE  49          1HB       PHE  49   7.611 -20.839  -7.781
  384    HD1  PHE  49           HD1      PHE  49   7.426 -22.867  -6.527
  385    HD2  PHE  49           HD2      PHE  49   5.887 -19.187  -4.934
  386    HE1  PHE  49           HE1      PHE  49   6.288 -24.126  -4.719
  387    HE2  PHE  49           HE2      PHE  49   4.749 -20.446  -3.126
  388    HZ   PHE  49           HZ       PHE  49   4.949 -22.916  -3.018
  389    H    TYR  50           H        TYR  50   9.778 -17.737  -7.797
  390    HA   TYR  50           HA       TYR  50  11.185 -19.499  -9.710
  391   1HB   TYR  50          2HB       TYR  50  10.731 -16.518  -9.411
  392   2HB   TYR  50          1HB       TYR  50  11.717 -17.202 -10.705
  393    HD1  TYR  50           HD1      TYR  50  10.655 -18.994 -12.210
  394    HD2  TYR  50           HD2      TYR  50   8.378 -16.454  -9.599
  395    HE1  TYR  50           HE1      TYR  50   8.604 -19.494 -13.511
  396    HE2  TYR  50           HE2      TYR  50   6.328 -16.955 -10.901
  397    HH   TYR  50           HH       TYR  50   5.588 -19.012 -12.442
  Start of MODEL   10
    1   1H    ARG   1          H1        ARG   1   3.663  17.564 -15.163
    2   2H    ARG   1          H2        ARG   1   3.586  15.875 -14.998
    3   3H    ARG   1          H3        ARG   1   4.960  16.722 -14.467
    4    HA   ARG   1           HA       ARG   1   3.958  17.477 -12.565
    5   1HB   ARG   1          2HB       ARG   1   1.811  17.728 -14.523
    6   2HB   ARG   1          1HB       ARG   1   1.197  17.213 -12.951
    7   1HG   ARG   1          2HG       ARG   1   1.489  19.278 -12.108
    8   2HG   ARG   1          1HG       ARG   1   3.185  19.272 -12.591
    9   1HD   ARG   1          2HD       ARG   1   1.055  19.753 -14.668
   10   2HD   ARG   1          1HD       ARG   1   1.606  21.085 -13.633
   11    HE   ARG   1           HE       ARG   1   3.982  20.306 -14.373
   12   1HH1  ARG   1          1HH1      ARG   1   2.066  18.483 -16.235
   13   2HH1  ARG   1          2HH1      ARG   1   2.456  19.208 -17.759
   14   1HH2  ARG   1          1HH2      ARG   1   4.084  21.924 -16.349
   15   2HH2  ARG   1          2HH2      ARG   1   3.599  21.156 -17.823
   16    H    LYS   2           H        LYS   2   4.875  15.297 -12.019
   17    HA   LYS   2           HA       LYS   2   3.492  12.838 -12.200
   18   1HB   LYS   2          2HB       LYS   2   5.842  13.851 -11.120
   19   2HB   LYS   2          1HB       LYS   2   4.969  13.270  -9.702
   20   1HG   LYS   2          2HG       LYS   2   5.303  11.111 -10.269
   21   2HG   LYS   2          1HG       LYS   2   4.783  11.398 -11.930
   22   1HD   LYS   2          2HD       LYS   2   7.045  10.780 -12.171
   23   2HD   LYS   2          1HD       LYS   2   7.096  12.542 -12.227
   24   1HE   LYS   2          2HE       LYS   2   7.331  11.228  -9.543
   25   2HE   LYS   2          1HE       LYS   2   8.743  11.204 -10.619
   26   1HZ   LYS   2          1HZ       LYS   2   7.256  13.537  -9.584
   27   2HZ   LYS   2          2HZ       LYS   2   8.173  13.654 -11.009
   28   3HZ   LYS   2          3HZ       LYS   2   8.925  13.243  -9.543
   29    H    GLY   3           H        GLY   3   2.841  11.734  -9.894
   30   1HA   GLY   3          2HA       GLY   3   0.455  13.208  -9.031
   31   2HA   GLY   3          1HA       GLY   3   0.901  11.576  -8.532
   32    H    HIS   4           H        HIS   4   0.007  13.397  -6.625
   33    HA   HIS   4           HA       HIS   4   2.381  13.551  -4.874
   34   1HB   HIS   4          2HB       HIS   4   1.992  15.996  -4.494
   35   2HB   HIS   4          1HB       HIS   4   2.475  15.634  -6.152
   36    HD1  HIS   4           HD1      HIS   4   1.156  18.048  -6.504
   37    HD2  HIS   4           HD2      HIS   4  -1.186  14.694  -5.701
   38    HE1  HIS   4           HE1      HIS   4  -1.202  18.631  -7.223
   39    H    PHE   5           H        PHE   5   0.765  11.887  -3.950
   40    HA   PHE   5           HA       PHE   5  -1.439  13.231  -2.431
   41   1HB   PHE   5          2HB       PHE   5  -0.944  10.306  -3.087
   42   2HB   PHE   5          1HB       PHE   5  -2.401  10.971  -2.349
   43    HD1  PHE   5           HD1      PHE   5  -3.933  12.406  -3.635
   44    HD2  PHE   5           HD2      PHE   5  -0.497  10.586  -5.458
   45    HE1  PHE   5           HE1      PHE   5  -4.868  12.892  -5.879
   46    HE2  PHE   5           HE2      PHE   5  -1.431  11.072  -7.703
   47    HZ   PHE   5           HZ       PHE   5  -3.617  12.225  -7.914
   48    H    SER   6           H        SER   6  -1.386  10.627  -0.763
   49    HA   SER   6           HA       SER   6   0.990  11.294   0.938
   50   1HB   SER   6          2HB       SER   6  -1.893  10.778   1.731
   51   2HB   SER   6          1HB       SER   6  -0.565  10.954   2.876
   52    HG   SER   6           HG       SER   6  -1.889  12.893   2.258
   53    H    ARG   7           H        ARG   7   2.243   9.477   1.039
   54    HA   ARG   7           HA       ARG   7   1.158   6.821   0.441
   55   1HB   ARG   7          2HB       ARG   7   3.435   7.801  -0.187
   56   2HB   ARG   7          1HB       ARG   7   3.888   7.593   1.505
   57   1HG   ARG   7          2HG       ARG   7   4.112   5.346   1.288
   58   2HG   ARG   7          1HG       ARG   7   2.649   5.207   0.311
   59   1HD   ARG   7          2HD       ARG   7   3.976   4.925  -1.505
   60   2HD   ARG   7          1HD       ARG   7   4.534   6.597  -1.291
   61    HE   ARG   7           HE       ARG   7   5.919   5.050   0.614
   62   1HH1  ARG   7          1HH1      ARG   7   6.363   6.434  -2.359
   63   2HH1  ARG   7          2HH1      ARG   7   7.607   5.356  -2.897
   64   1HH2  ARG   7          1HH2      ARG   7   7.194   3.138  -0.265
   65   2HH2  ARG   7          2HH2      ARG   7   8.078   3.491  -1.712
   66    H    CYS   8           H        CYS   8   0.205   5.568   1.995
   67    HA   CYS   8           HA       CYS   8  -0.012   6.183   4.738
   68   1HB   CYS   8          2HB       CYS   8  -1.004   4.333   3.001
   69   2HB   CYS   8          1HB       CYS   8   0.073   3.321   3.964
   70    HA   PRO   9           HA       PRO   9   4.181   5.236   5.955
   71   1HB   PRO   9          2HB       PRO   9   3.842   5.817   8.609
   72   2HB   PRO   9          1HB       PRO   9   4.052   7.066   7.365
   73   1HG   PRO   9          2HG       PRO   9   1.563   6.114   8.689
   74   2HG   PRO   9          1HG       PRO   9   2.035   7.753   8.215
   75   1HD   PRO   9          2HD       PRO   9   0.293   6.214   6.786
   76   2HD   PRO   9          1HD       PRO   9   1.309   7.481   6.062
   77    H    LYS  10           H        LYS  10   5.180   3.626   7.450
   78    HA   LYS  10           HA       LYS  10   3.884   1.104   7.471
   79   1HB   LYS  10          2HB       LYS  10   5.767   0.484   8.946
   80   2HB   LYS  10          1HB       LYS  10   6.320   1.528   7.636
   81   1HG   LYS  10          2HG       LYS  10   7.236   2.810   9.260
   82   2HG   LYS  10          1HG       LYS  10   5.587   3.342   9.590
   83   1HD   LYS  10          2HD       LYS  10   5.353   1.385  11.161
   84   2HD   LYS  10          1HD       LYS  10   7.073   1.069  10.935
   85   1HE   LYS  10          2HE       LYS  10   7.658   3.245  11.849
   86   2HE   LYS  10          1HE       LYS  10   5.947   3.710  11.933
   87   1HZ   LYS  10          1HZ       LYS  10   6.894   1.224  13.211
   88   2HZ   LYS  10          2HZ       LYS  10   5.505   2.140  13.559
   89   3HZ   LYS  10          3HZ       LYS  10   7.039   2.706  14.022
   90    H    GLN  11           H        GLN  11   3.754   3.753   9.764
   91    HA   GLN  11           HA       GLN  11   2.862   2.362  12.087
   92   1HB   GLN  11          2HB       GLN  11   3.429   4.947  11.302
   93   2HB   GLN  11          1HB       GLN  11   1.688   5.012  11.575
   94   1HG   GLN  11          2HG       GLN  11   1.991   4.054  13.820
   95   2HG   GLN  11          1HG       GLN  11   3.731   3.953  13.552
   96   1HE2  GLN  11          1HE2      GLN  11   1.142   6.079  14.490
   97   2HE2  GLN  11          2HE2      GLN  11   2.080   7.483  14.660
   98    H    TYR  12           H        TYR  12   1.091   3.569   9.251
   99    HA   TYR  12           HA       TYR  12  -1.463   2.555  10.423
  100   1HB   TYR  12          2HB       TYR  12  -0.627   4.543   8.341
  101   2HB   TYR  12          1HB       TYR  12  -2.232   3.821   8.217
  102    HD1  TYR  12           HD1      TYR  12  -0.538   6.566   9.481
  103    HD2  TYR  12           HD2      TYR  12  -3.423   3.618  10.680
  104    HE1  TYR  12           HE1      TYR  12  -1.365   8.094  11.253
  105    HE2  TYR  12           HE2      TYR  12  -4.249   5.145  12.451
  106    HH   TYR  12           HH       TYR  12  -4.247   7.371  13.103
  107    H    LYS  13           H        LYS  13   0.959   1.199   8.767
  108    HA   LYS  13           HA       LYS  13  -0.599  -0.026   6.570
  109   1HB   LYS  13          2HB       LYS  13   2.124   0.544   7.219
  110   2HB   LYS  13          1HB       LYS  13   1.981  -1.201   7.007
  111   1HG   LYS  13          2HG       LYS  13   1.861  -0.941   4.778
  112   2HG   LYS  13          1HG       LYS  13   0.449   0.100   4.961
  113   1HD   LYS  13          2HD       LYS  13   1.806   1.706   4.087
  114   2HD   LYS  13          1HD       LYS  13   2.449   1.796   5.727
  115   1HE   LYS  13          2HE       LYS  13   4.075  -0.081   5.009
  116   2HE   LYS  13          1HE       LYS  13   3.601   0.329   3.347
  117   1HZ   LYS  13          1HZ       LYS  13   4.524   2.377   3.481
  118   2HZ   LYS  13          2HZ       LYS  13   5.517   1.628   4.639
  119   3HZ   LYS  13          3HZ       LYS  13   4.183   2.557   5.133
  120    H    HIS  14           H        HIS  14  -1.753  -0.685   9.037
  121    HA   HIS  14           HA       HIS  14  -0.677  -3.276   9.942
  122   1HB   HIS  14          2HB       HIS  14  -3.005  -1.475  10.629
  123   2HB   HIS  14          1HB       HIS  14  -2.866  -3.088  11.332
  124    HD1  HIS  14           HD1      HIS  14  -1.740  -3.024  13.543
  125    HD2  HIS  14           HD2      HIS  14  -0.233  -0.094  10.990
  126    HE1  HIS  14           HE1      HIS  14   0.054  -1.797  14.842
  127    H    TYR  15           H        TYR  15  -2.907  -2.095   7.602
  128    HA   TYR  15           HA       TYR  15  -4.391  -4.651   7.423
  129   1HB   TYR  15          2HB       TYR  15  -5.538  -3.358   5.559
  130   2HB   TYR  15          1HB       TYR  15  -5.640  -2.599   7.147
  131    HD1  TYR  15           HD1      TYR  15  -5.081  -0.345   7.331
  132    HD2  TYR  15           HD2      TYR  15  -3.382  -2.674   4.147
  133    HE1  TYR  15           HE1      TYR  15  -3.985   1.688   6.430
  134    HE2  TYR  15           HE2      TYR  15  -2.284  -0.640   3.245
  135    HH   TYR  15           HH       TYR  15  -1.519   1.735   4.480
  136    H    CYS  16           H        CYS  16  -1.407  -3.545   6.434
  137    HA   CYS  16           HA       CYS  16  -1.196  -5.639   4.372
  138   1HB   CYS  16          2HB       CYS  16  -1.395  -2.708   3.817
  139   2HB   CYS  16          1HB       CYS  16  -0.258  -3.644   2.846
  140    H    ILE  17           H        ILE  17   0.674  -6.566   5.166
  141    HA   ILE  17           HA       ILE  17   2.781  -4.952   6.416
  142    HB   ILE  17           HB       ILE  17   2.798  -7.868   5.597
  143   1HG1  ILE  17          2HG1      ILE  17   0.731  -7.399   6.838
  144   2HG1  ILE  17          1HG1      ILE  17   1.851  -8.307   7.856
  145   1HG2  ILE  17          1HG2      ILE  17   4.257  -8.046   7.621
  146   2HG2  ILE  17          2HG2      ILE  17   4.187  -6.291   7.783
  147   3HG2  ILE  17          3HG2      ILE  17   4.948  -7.016   6.367
  148   1HD1  ILE  17          1HD1      ILE  17   2.420  -5.521   8.171
  149   2HD1  ILE  17          2HD1      ILE  17   1.817  -6.655   9.380
  150   3HD1  ILE  17          3HD1      ILE  17   0.683  -5.753   8.372
  151    H    LYS  18           H        LYS  18   2.951  -7.340   3.738
  152    HA   LYS  18           HA       LYS  18   5.277  -5.890   2.622
  153   1HB   LYS  18          2HB       LYS  18   5.396  -7.884   1.176
  154   2HB   LYS  18          1HB       LYS  18   5.212  -8.359   2.863
  155   1HG   LYS  18          2HG       LYS  18   2.777  -8.637   2.512
  156   2HG   LYS  18          1HG       LYS  18   2.974  -8.184   0.823
  157   1HD   LYS  18          2HD       LYS  18   2.894 -10.695   1.374
  158   2HD   LYS  18          1HD       LYS  18   4.198 -10.142   0.325
  159   1HE   LYS  18          2HE       LYS  18   5.035 -11.686   2.099
  160   2HE   LYS  18          1HE       LYS  18   5.727 -10.062   2.281
  161   1HZ   LYS  18          1HZ       LYS  18   3.158 -10.699   3.565
  162   2HZ   LYS  18          2HZ       LYS  18   4.326  -9.550   4.013
  163   3HZ   LYS  18          3HZ       LYS  18   4.597 -11.202   4.309
  164    H    GLY  19           H        GLY  19   3.157  -4.201   2.391
  165   1HA   GLY  19          2HA       GLY  19   2.811  -4.032  -0.515
  166   2HA   GLY  19          1HA       GLY  19   1.310  -4.280   0.380
  167    H    ARG  20           H        ARG  20   1.213  -1.998  -0.878
  168    HA   ARG  20           HA       ARG  20   1.869   0.066   1.193
  169   1HB   ARG  20          2HB       ARG  20   2.613   1.535  -0.573
  170   2HB   ARG  20          1HB       ARG  20   3.428  -0.010  -0.810
  171   1HG   ARG  20          2HG       ARG  20   1.142  -0.412  -2.247
  172   2HG   ARG  20          1HG       ARG  20   1.386   1.319  -2.484
  173   1HD   ARG  20          2HD       ARG  20   3.319   1.015  -3.698
  174   2HD   ARG  20          1HD       ARG  20   3.799  -0.415  -2.763
  175    HE   ARG  20           HE       ARG  20   1.378  -0.922  -4.260
  176   1HH1  ARG  20          1HH2      ARG  20   3.861  -2.700  -3.844
  177   2HH1  ARG  20          2HH2      ARG  20   4.418  -2.853  -5.478
  178   1HH2  ARG  20          1HH1      ARG  20   2.493  -0.223  -6.660
  179   2HH2  ARG  20          2HH1      ARG  20   3.643  -1.451  -7.072
  180    H    CYS  21           H        CYS  21   0.515   2.126   0.718
  181    HA   CYS  21           HA       CYS  21  -2.051   1.597  -0.671
  182   1HB   CYS  21          2HB       CYS  21  -2.344   0.640   1.560
  183   2HB   CYS  21          1HB       CYS  21  -1.754   2.127   2.303
  184    H    ARG  22           H        ARG  22  -2.413   3.455  -1.804
  185    HA   ARG  22           HA       ARG  22  -1.187   6.002  -0.927
  186   1HB   ARG  22          2HB       ARG  22  -1.217   4.992  -3.294
  187   2HB   ARG  22          1HB       ARG  22  -2.921   5.446  -3.344
  188   1HG   ARG  22          2HG       ARG  22  -2.442   7.745  -3.219
  189   2HG   ARG  22          1HG       ARG  22  -0.822   7.466  -2.579
  190   1HD   ARG  22          2HD       ARG  22  -0.912   8.160  -5.039
  191   2HD   ARG  22          1HD       ARG  22  -0.042   6.645  -4.723
  192    HE   ARG  22           HE       ARG  22  -2.004   5.411  -5.493
  193   1HH1  ARG  22          1HH2      ARG  22  -1.409   7.853  -7.423
  194   2HH1  ARG  22          2HH2      ARG  22  -3.038   8.277  -7.833
  195   1HH2  ARG  22          1HH1      ARG  22  -4.450   6.372  -5.303
  196   2HH2  ARG  22          2HH1      ARG  22  -4.760   7.439  -6.633
  197    H    PHE  23           H        PHE  23  -2.388   7.122   0.588
  198    HA   PHE  23           HA       PHE  23  -5.361   6.976   0.473
  199   1HB   PHE  23          2HB       PHE  23  -3.710   6.691   2.529
  200   2HB   PHE  23          1HB       PHE  23  -3.775   8.454   2.547
  201    HD1  PHE  23           HD1      PHE  23  -6.335   9.343   2.061
  202    HD2  PHE  23           HD2      PHE  23  -5.227   5.646   3.946
  203    HE1  PHE  23           HE1      PHE  23  -8.544   9.254   3.182
  204    HE2  PHE  23           HE2      PHE  23  -7.437   5.556   5.067
  205    HZ   PHE  23           HZ       PHE  23  -9.096   7.359   4.685
  206    H    VAL  24           H        VAL  24  -6.164   8.496  -0.964
  207    HA   VAL  24           HA       VAL  24  -4.835  11.096  -1.330
  208    HB   VAL  24           HB       VAL  24  -7.522  10.175  -2.366
  209   1HG1  VAL  24          1HG1      VAL  24  -6.012  12.510  -2.703
  210   2HG1  VAL  24          2HG1      VAL  24  -7.378  11.995  -3.691
  211   3HG1  VAL  24          3HG1      VAL  24  -5.734  11.583  -4.176
  212   1HG2  VAL  24          1HG2      VAL  24  -5.627   9.618  -4.329
  213   2HG2  VAL  24          2HG2      VAL  24  -6.442   8.424  -3.317
  214   3HG2  VAL  24          3HG2      VAL  24  -4.863   9.051  -2.844
  215    H    VAL  25           H        VAL  25  -5.185  12.671   0.181
  216    HA   VAL  25           HA       VAL  25  -7.524  12.652   1.943
  217    HB   VAL  25           HB       VAL  25  -5.199  14.548   1.487
  218   1HG1  VAL  25          1HG1      VAL  25  -6.175  14.982   4.043
  219   2HG1  VAL  25          2HG1      VAL  25  -7.645  14.813   3.083
  220   3HG1  VAL  25          3HG1      VAL  25  -6.447  16.035   2.655
  221   1HG2  VAL  25          1HG2      VAL  25  -5.227  12.036   2.601
  222   2HG2  VAL  25          2HG2      VAL  25  -5.487  13.055   4.016
  223   3HG2  VAL  25          3HG2      VAL  25  -4.060  13.294   3.007
  224    H    ALA  26           H        ALA  26  -6.226  15.132  -0.318
  225    HA   ALA  26           HA       ALA  26  -8.331  16.924  -0.409
  226   1HB   ALA  26          1HB       ALA  26  -7.434  17.557  -2.501
  227   2HB   ALA  26          2HB       ALA  26  -7.057  15.892  -2.941
  228   3HB   ALA  26          3HB       ALA  26  -6.083  16.726  -1.730
  229    H    GLU  27           H        GLU  27  -8.162  13.740  -1.929
  230    HA   GLU  27           HA       GLU  27 -11.088  13.942  -2.562
  231   1HB   GLU  27          2HB       GLU  27  -8.822  13.606  -4.270
  232   2HB   GLU  27          1HB       GLU  27  -9.700  12.076  -4.253
  233   1HG   GLU  27          2HG       GLU  27 -11.763  13.859  -4.445
  234   2HG   GLU  27          1HG       GLU  27 -10.506  14.695  -5.358
  235    H    GLN  28           H        GLN  28 -11.685  12.806  -0.652
  236    HA   GLN  28           HA       GLN  28 -10.628  10.730   0.736
  237   1HB   GLN  28          2HB       GLN  28 -13.048  11.891   0.561
  238   2HB   GLN  28          1HB       GLN  28 -13.441  10.331  -0.165
  239   1HG   GLN  28          2HG       GLN  28 -13.642   9.540   1.940
  240   2HG   GLN  28          1HG       GLN  28 -11.886   9.663   2.049
  241   1HE2  GLN  28          1HE2      GLN  28 -11.321  10.736   3.941
  242   2HE2  GLN  28          2HE2      GLN  28 -12.141  12.074   4.588
  243    H    THR  29           H        THR  29  -9.243   9.395  -0.590
  244    HA   THR  29           HA       THR  29 -10.711   7.183  -1.931
  245    HB   THR  29           HB       THR  29  -8.728   9.070  -3.220
  246    HG1  THR  29           1HG      THR  29 -10.557   9.767  -3.946
  247   1HG2  THR  29          1HG2      THR  29  -7.854   7.280  -4.279
  248   2HG2  THR  29          2HG2      THR  29  -9.402   7.161  -5.116
  249   3HG2  THR  29          3HG2      THR  29  -9.111   6.208  -3.661
  250    HA   PRO  30           HA       PRO  30  -7.021   5.851   0.487
  251   1HB   PRO  30          2HB       PRO  30  -8.319   3.936   1.938
  252   2HB   PRO  30          1HB       PRO  30  -8.256   5.639   2.429
  253   1HG   PRO  30          2HG       PRO  30 -10.465   4.115   1.174
  254   2HG   PRO  30          1HG       PRO  30 -10.526   5.439   2.345
  255   1HD   PRO  30          2HD       PRO  30 -11.005   5.690  -0.370
  256   2HD   PRO  30          1HD       PRO  30 -10.570   7.023   0.720
  257    H    SER  31           H        SER  31  -6.246   4.924  -1.554
  258    HA   SER  31           HA       SER  31  -7.360   2.311  -2.398
  259   1HB   SER  31          2HB       SER  31  -6.160   2.727  -4.373
  260   2HB   SER  31          1HB       SER  31  -6.527   4.360  -3.825
  261    HG   SER  31           HG       SER  31  -4.447   4.319  -2.776
  262    H    CYS  32           H        CYS  32  -6.499   0.425  -1.599
  263    HA   CYS  32           HA       CYS  32  -3.763   0.546  -0.375
  264   1HB   CYS  32          2HB       CYS  32  -4.625  -1.335   1.019
  265   2HB   CYS  32          1HB       CYS  32  -5.605   0.122   1.185
  266    H    VAL  33           H        VAL  33  -2.336  -0.310  -1.856
  267    HA   VAL  33           HA       VAL  33  -3.181  -2.717  -3.423
  268    HB   VAL  33           HB       VAL  33  -0.917  -0.726  -3.789
  269   1HG1  VAL  33          1HG1      VAL  33  -0.282  -2.820  -4.780
  270   2HG1  VAL  33          2HG1      VAL  33  -0.853  -1.794  -6.095
  271   3HG1  VAL  33          3HG1      VAL  33  -1.895  -3.061  -5.450
  272   1HG2  VAL  33          1HG2      VAL  33  -2.473   0.589  -4.753
  273   2HG2  VAL  33          2HG2      VAL  33  -3.722  -0.610  -4.413
  274   3HG2  VAL  33          3HG2      VAL  33  -2.805  -0.693  -5.917
  275    H    CYS  34           H        CYS  34  -1.432  -4.397  -3.693
  276    HA   CYS  34           HA       CYS  34   0.385  -4.510  -1.304
  277   1HB   CYS  34          2HB       CYS  34  -1.051  -6.838  -2.607
  278   2HB   CYS  34          1HB       CYS  34  -0.235  -6.818  -1.044
  279    H    ASP  35           H        ASP  35   2.302  -5.922  -1.664
  280    HA   ASP  35           HA       ASP  35   3.748  -5.386  -4.017
  281   1HB   ASP  35          2HB       ASP  35   3.860  -7.261  -1.724
  282   2HB   ASP  35          1HB       ASP  35   4.809  -7.740  -3.131
  283    H    GLU  36           H        GLU  36   3.555  -6.176  -6.080
  284    HA   GLU  36           HA       GLU  36   1.526  -7.864  -7.010
  285   1HB   GLU  36          2HB       GLU  36   2.963  -8.056  -9.011
  286   2HB   GLU  36          1HB       GLU  36   3.010  -6.414  -8.368
  287   1HG   GLU  36          2HG       GLU  36   5.086  -7.141  -7.059
  288   2HG   GLU  36          1HG       GLU  36   5.096  -8.582  -8.076
  289    H    GLY  37           H        GLY  37   4.839  -8.775  -6.020
  290   1HA   GLY  37          2HA       GLY  37   4.213 -11.631  -6.432
  291   2HA   GLY  37          1HA       GLY  37   5.776 -10.976  -5.944
  292    H    TYR  38           H        TYR  38   2.587 -10.400  -4.472
  293    HA   TYR  38           HA       TYR  38   3.703 -11.514  -1.923
  294   1HB   TYR  38          2HB       TYR  38   2.740  -9.716  -0.844
  295   2HB   TYR  38          1HB       TYR  38   2.950  -8.983  -2.430
  296    HD1  TYR  38           HD1      TYR  38   0.702  -9.202   0.130
  297    HD2  TYR  38           HD2      TYR  38   0.868  -9.860  -4.112
  298    HE1  TYR  38           HE1      TYR  38  -1.748  -8.852  -0.022
  299    HE2  TYR  38           HE2      TYR  38  -1.580  -9.510  -4.261
  300    HH   TYR  38           HH       TYR  38  -3.397  -8.741  -3.145
  301    H    ILE  39           H        ILE  39   1.865 -12.326  -0.428
  302    HA   ILE  39           HA       ILE  39  -0.460 -13.458  -1.888
  303    HB   ILE  39           HB       ILE  39   1.819 -14.997  -0.630
  304   1HG1  ILE  39          2HG1      ILE  39   0.373 -15.288  -3.283
  305   2HG1  ILE  39          1HG1      ILE  39   1.887 -14.408  -3.065
  306   1HG2  ILE  39          1HG2      ILE  39  -1.051 -15.795  -1.053
  307   2HG2  ILE  39          2HG2      ILE  39  -0.001 -16.125   0.325
  308   3HG2  ILE  39          3HG2      ILE  39   0.229 -17.001  -1.188
  309   1HD1  ILE  39          1HD1      ILE  39   1.693 -17.236  -2.085
  310   2HD1  ILE  39          2HD1      ILE  39   3.109 -16.342  -2.637
  311   3HD1  ILE  39          3HD1      ILE  39   1.932 -16.940  -3.806
  312    H    GLY  40           H        GLY  40  -2.213 -13.272  -0.545
  313   1HA   GLY  40          2HA       GLY  40  -3.044 -14.020   1.761
  314   2HA   GLY  40          1HA       GLY  40  -1.693 -13.078   2.394
  315    H    ALA  41           H        ALA  41  -4.700 -12.756   2.659
  316    HA   ALA  41           HA       ALA  41  -5.579 -10.455   1.207
  317   1HB   ALA  41          1HB       ALA  41  -6.283 -11.910   3.725
  318   2HB   ALA  41          2HB       ALA  41  -7.268 -11.618   2.291
  319   3HB   ALA  41          3HB       ALA  41  -7.007 -10.324   3.462
  320    H    ARG  42           H        ARG  42  -3.811 -10.784   4.279
  321    HA   ARG  42           HA       ARG  42  -3.700  -7.820   4.550
  322   1HB   ARG  42          2HB       ARG  42  -3.019 -10.184   6.317
  323   2HB   ARG  42          1HB       ARG  42  -2.661  -8.520   6.781
  324   1HG   ARG  42          2HG       ARG  42  -5.100  -7.981   6.396
  325   2HG   ARG  42          1HG       ARG  42  -5.384  -9.711   6.200
  326   1HD   ARG  42          2HD       ARG  42  -3.960  -9.687   8.541
  327   2HD   ARG  42          1HD       ARG  42  -4.872  -8.170   8.669
  328    HE   ARG  42           HE       ARG  42  -6.899  -9.649   7.973
  329   1HH1  ARG  42          1HH2      ARG  42  -5.405 -12.221   7.928
  330   2HH1  ARG  42          2HH2      ARG  42  -5.690 -12.849   9.517
  331   1HH2  ARG  42          1HH1      ARG  42  -6.735  -9.807  10.816
  332   2HH2  ARG  42          2HH1      ARG  42  -6.444 -11.480  11.153
  333    H    CYS  43           H        CYS  43  -2.056  -9.846   2.714
  334    HA   CYS  43           HA       CYS  43   0.134  -9.837   1.823
  335   1HB   CYS  43          2HB       CYS  43   0.424  -7.310   3.469
  336   2HB   CYS  43          1HB       CYS  43   1.250  -7.711   1.965
  337    H    GLU  44           H        GLU  44   0.013 -11.613   3.809
  338    HA   GLU  44           HA       GLU  44   2.188 -10.949   5.757
  339   1HB   GLU  44          2HB       GLU  44   1.201 -12.788   7.060
  340   2HB   GLU  44          1HB       GLU  44  -0.052 -11.633   6.605
  341   1HG   GLU  44          2HG       GLU  44  -0.812 -13.045   4.808
  342   2HG   GLU  44          1HG       GLU  44   0.569 -14.125   5.001
  343    H    ARG  45           H        ARG  45   1.202 -13.217   3.233
  344    HA   ARG  45           HA       ARG  45   3.684 -14.815   3.630
  345   1HB   ARG  45          2HB       ARG  45   1.006 -15.139   2.363
  346   2HB   ARG  45          1HB       ARG  45   2.341 -16.027   1.629
  347   1HG   ARG  45          2HG       ARG  45   2.867 -17.102   3.733
  348   2HG   ARG  45          1HG       ARG  45   1.693 -16.100   4.588
  349   1HD   ARG  45          2HD       ARG  45   0.498 -18.109   4.244
  350   2HD   ARG  45          1HD       ARG  45  -0.019 -17.123   2.862
  351    HE   ARG  45           HE       ARG  45   2.132 -19.200   2.725
  352   1HH1  ARG  45          1HH2      ARG  45  -0.873 -18.584   1.550
  353   2HH1  ARG  45          2HH2      ARG  45  -0.455 -18.616  -0.131
  354   1HH2  ARG  45          1HH1      ARG  45   2.964 -18.621   0.449
  355   2HH2  ARG  45          2HH1      ARG  45   1.717 -18.637  -0.754
  356    H    VAL  46           H        VAL  46   5.011 -15.289   1.688
  357    HA   VAL  46           HA       VAL  46   4.921 -13.069  -0.332
  358    HB   VAL  46           HB       VAL  46   6.762 -12.791   1.222
  359   1HG1  VAL  46          1HG1      VAL  46   7.416 -14.665   2.308
  360   2HG1  VAL  46          2HG1      VAL  46   8.424 -14.990   0.897
  361   3HG1  VAL  46          3HG1      VAL  46   6.819 -15.711   1.019
  362   1HG2  VAL  46          1HG2      VAL  46   8.224 -14.116  -1.007
  363   2HG2  VAL  46          2HG2      VAL  46   8.401 -12.485  -0.360
  364   3HG2  VAL  46          3HG2      VAL  46   7.073 -12.859  -1.458
  365    H    ASP  47           H        ASP  47   5.344 -13.681  -2.499
  366    HA   ASP  47           HA       ASP  47   4.999 -16.561  -3.090
  367   1HB   ASP  47          2HB       ASP  47   3.644 -14.843  -4.215
  368   2HB   ASP  47          1HB       ASP  47   5.108 -14.062  -4.811
  369    H    LEU  48           H        LEU  48   7.084 -14.042  -4.558
  370    HA   LEU  48           HA       LEU  48   9.257 -16.104  -4.745
  371   1HB   LEU  48          2HB       LEU  48   8.415 -13.757  -6.460
  372   2HB   LEU  48          1HB       LEU  48   9.976 -14.553  -6.667
  373    HG   LEU  48           HG       LEU  48   7.788 -16.476  -6.491
  374   1HD1  LEU  48          1HD1      LEU  48   7.778 -14.511  -8.804
  375   2HD1  LEU  48          2HD1      LEU  48   6.546 -14.596  -7.545
  376   3HD1  LEU  48          3HD1      LEU  48   6.765 -15.947  -8.656
  377   1HD2  LEU  48          1HD2      LEU  48  10.302 -16.030  -7.862
  378   2HD2  LEU  48          2HD2      LEU  48   9.065 -16.553  -9.004
  379   3HD2  LEU  48          3HD2      LEU  48   9.440 -17.544  -7.594
  380    H    PHE  49           H        PHE  49  10.378 -15.620  -2.807
  381    HA   PHE  49           HA       PHE  49  10.861 -13.237  -1.509
  382   1HB   PHE  49          2HB       PHE  49  11.931 -15.827  -1.606
  383   2HB   PHE  49          1HB       PHE  49  13.320 -14.764  -1.833
  384    HD1  PHE  49           HD1      PHE  49  12.120 -12.373  -0.296
  385    HD2  PHE  49           HD2      PHE  49  12.477 -16.551   0.639
  386    HE1  PHE  49           HE1      PHE  49  12.103 -11.833   2.124
  387    HE2  PHE  49           HE2      PHE  49  12.461 -16.010   3.059
  388    HZ   PHE  49           HZ       PHE  49  12.274 -13.652   3.802
  389    H    TYR  50           H        TYR  50  12.176 -14.231  -4.616
  390    HA   TYR  50           HA       TYR  50  14.120 -12.015  -4.709
  391   1HB   TYR  50          2HB       TYR  50  14.657 -14.182  -5.682
  392   2HB   TYR  50          1HB       TYR  50  13.200 -14.138  -6.674
  393    HD1  TYR  50           HD1      TYR  50  16.394 -12.307  -6.020
  394    HD2  TYR  50           HD2      TYR  50  13.226 -13.127  -8.802
  395    HE1  TYR  50           HE1      TYR  50  17.633 -11.087  -7.787
  396    HE2  TYR  50           HE2      TYR  50  14.465 -11.906 -10.571
  397    HH   TYR  50           HH       TYR  50  16.358  -9.913 -10.445
  Start of MODEL   11
    1   1H    ARG   1          H1        ARG   1  -3.116  12.164 -14.474
    2   2H    ARG   1          H2        ARG   1  -4.636  12.785 -14.041
    3   3H    ARG   1          H3        ARG   1  -3.582  12.200 -12.844
    4    HA   ARG   1           HA       ARG   1  -2.739  14.439 -14.575
    5   1HB   ARG   1          2HB       ARG   1  -4.855  14.305 -12.488
    6   2HB   ARG   1          1HB       ARG   1  -3.749  15.675 -12.388
    7   1HG   ARG   1          2HG       ARG   1  -4.202  16.106 -14.837
    8   2HG   ARG   1          1HG       ARG   1  -5.466  14.879 -14.753
    9   1HD   ARG   1          2HD       ARG   1  -6.683  16.843 -14.321
   10   2HD   ARG   1          1HD       ARG   1  -6.284  16.312 -12.675
   11    HE   ARG   1           HE       ARG   1  -4.091  17.841 -13.542
   12   1HH1  ARG   1          1HH2      ARG   1  -6.707  19.152 -14.744
   13   2HH1  ARG   1          2HH2      ARG   1  -6.930  20.426 -13.592
   14   1HH2  ARG   1          1HH1      ARG   1  -4.695  19.099 -11.296
   15   2HH2  ARG   1          2HH1      ARG   1  -5.790  20.396 -11.640
   16    H    LYS   2           H        LYS   2  -0.606  13.470 -14.090
   17    HA   LYS   2           HA       LYS   2   1.347  13.218 -12.777
   18   1HB   LYS   2          2HB       LYS   2  -0.156  15.588 -11.676
   19   2HB   LYS   2          1HB       LYS   2   1.389  15.109 -10.975
   20   1HG   LYS   2          2HG       LYS   2   2.556  15.908 -12.740
   21   2HG   LYS   2          1HG       LYS   2   1.448  15.177 -13.902
   22   1HD   LYS   2          2HD       LYS   2  -0.129  17.152 -12.887
   23   2HD   LYS   2          1HD       LYS   2   1.458  17.912 -12.768
   24   1HE   LYS   2          2HE       LYS   2   0.731  16.506 -15.322
   25   2HE   LYS   2          1HE       LYS   2   0.085  18.130 -15.016
   26   1HZ   LYS   2          1HZ       LYS   2   2.872  17.264 -15.303
   27   2HZ   LYS   2          2HZ       LYS   2   2.540  18.539 -14.231
   28   3HZ   LYS   2          3HZ       LYS   2   2.118  18.673 -15.872
   29    H    GLY   3           H        GLY   3   1.947  13.230 -10.180
   30   1HA   GLY   3          2HA       GLY   3  -0.158  11.579  -8.836
   31   2HA   GLY   3          1HA       GLY   3   1.543  11.110  -8.804
   32    H    HIS   4           H        HIS   4  -0.861  12.896  -7.205
   33    HA   HIS   4           HA       HIS   4   1.213  14.062  -5.388
   34   1HB   HIS   4          2HB       HIS   4  -1.069  15.359  -6.854
   35   2HB   HIS   4          1HB       HIS   4  -0.560  16.014  -5.298
   36    HD1  HIS   4           HD1      HIS   4   2.372  15.984  -5.301
   37    HD2  HIS   4           HD2      HIS   4   0.262  16.766  -8.812
   38    HE1  HIS   4           HE1      HIS   4   3.969  17.206  -6.842
   39    H    PHE   5           H        PHE   5   0.295  11.839  -4.431
   40    HA   PHE   5           HA       PHE   5  -2.174  12.432  -2.835
   41   1HB   PHE   5          2HB       PHE   5  -0.861   9.778  -3.499
   42   2HB   PHE   5          1HB       PHE   5  -2.457  10.014  -2.786
   43    HD1  PHE   5           HD1      PHE   5  -4.236  11.230  -4.136
   44    HD2  PHE   5           HD2      PHE   5  -0.545   9.855  -5.851
   45    HE1  PHE   5           HE1      PHE   5  -5.224  11.406  -6.404
   46    HE2  PHE   5           HE2      PHE   5  -1.534  10.032  -8.119
   47    HZ   PHE   5           HZ       PHE   5  -3.873  10.807  -8.394
   48    H    SER   6           H        SER   6  -1.569  10.177  -1.041
   49    HA   SER   6           HA       SER   6   0.839  11.218   0.408
   50   1HB   SER   6          2HB       SER   6  -1.938  10.635   1.481
   51   2HB   SER   6          1HB       SER   6  -0.548  11.029   2.488
   52    HG   SER   6           HG       SER   6  -1.324  12.683   0.338
   53    H    ARG   7           H        ARG   7   2.204   9.530   0.829
   54    HA   ARG   7           HA       ARG   7   1.298   6.754   0.510
   55   1HB   ARG   7          2HB       ARG   7   3.913   8.135   1.165
   56   2HB   ARG   7          1HB       ARG   7   3.769   6.380   1.053
   57   1HG   ARG   7          2HG       ARG   7   4.201   6.678  -1.155
   58   2HG   ARG   7          1HG       ARG   7   2.521   7.204  -1.256
   59   1HD   ARG   7          2HD       ARG   7   4.046   8.879  -2.283
   60   2HD   ARG   7          1HD       ARG   7   3.246   9.552  -0.849
   61    HE   ARG   7           HE       ARG   7   5.755   8.203  -0.217
   62   1HH1  ARG   7          1HH1      ARG   7   5.384  10.740  -2.280
   63   2HH1  ARG   7          2HH1      ARG   7   6.155  11.931  -1.287
   64   1HH2  ARG   7          1HH2      ARG   7   6.267   9.900   1.522
   65   2HH2  ARG   7          2HH2      ARG   7   6.654  11.456   0.866
   66    H    CYS   8           H        CYS   8   0.638   5.468   2.192
   67    HA   CYS   8           HA       CYS   8   0.483   6.494   4.902
   68   1HB   CYS   8          2HB       CYS   8  -0.554   4.371   3.286
   69   2HB   CYS   8          1HB       CYS   8   0.115   3.661   4.754
   70    HA   PRO   9           HA       PRO   9   4.517   5.144   6.144
   71   1HB   PRO   9          2HB       PRO   9   4.193   5.536   8.833
   72   2HB   PRO   9          1HB       PRO   9   4.454   6.867   7.688
   73   1HG   PRO   9          2HG       PRO   9   1.931   5.921   8.947
   74   2HG   PRO   9          1HG       PRO   9   2.462   7.569   8.578
   75   1HD   PRO   9          2HD       PRO   9   0.665   6.170   7.061
   76   2HD   PRO   9          1HD       PRO   9   1.696   7.472   6.429
   77    H    LYS  10           H        LYS  10   5.446   3.348   7.407
   78    HA   LYS  10           HA       LYS  10   3.981   0.919   7.312
   79   1HB   LYS  10          2HB       LYS  10   5.902   0.059   8.589
   80   2HB   LYS  10          1HB       LYS  10   6.456   1.198   7.362
   81   1HG   LYS  10          2HG       LYS  10   6.355   3.001   9.150
   82   2HG   LYS  10          1HG       LYS  10   6.105   1.709  10.325
   83   1HD   LYS  10          2HD       LYS  10   8.307   0.997   8.625
   84   2HD   LYS  10          1HD       LYS  10   8.573   2.625   9.250
   85   1HE   LYS  10          2HE       LYS  10   7.568   0.648  11.230
   86   2HE   LYS  10          1HE       LYS  10   9.232   0.405  10.661
   87   1HZ   LYS  10          1HZ       LYS  10   9.116   1.975  12.534
   88   2HZ   LYS  10          2HZ       LYS  10   8.118   2.993  11.611
   89   3HZ   LYS  10          3HZ       LYS  10   9.721   2.705  11.128
   90    H    GLN  11           H        GLN  11   4.339   3.308   9.895
   91    HA   GLN  11           HA       GLN  11   3.344   1.765  12.079
   92   1HB   GLN  11          2HB       GLN  11   3.441   4.684  11.330
   93   2HB   GLN  11          1HB       GLN  11   2.681   4.175  12.838
   94   1HG   GLN  11          2HG       GLN  11   5.322   2.960  12.305
   95   2HG   GLN  11          1HG       GLN  11   5.346   4.702  12.586
   96   1HE2  GLN  11          1HE2      GLN  11   6.159   4.702  14.746
   97   2HE2  GLN  11          2HE2      GLN  11   5.341   3.980  16.045
   98    H    TYR  12           H        TYR  12   1.685   3.556   9.509
   99    HA   TYR  12           HA       TYR  12  -0.963   2.954  10.724
  100   1HB   TYR  12          2HB       TYR  12   0.213   4.832   8.754
  101   2HB   TYR  12          1HB       TYR  12  -1.431   4.302   8.400
  102    HD1  TYR  12           HD1      TYR  12   0.383   6.786  10.002
  103    HD2  TYR  12           HD2      TYR  12  -2.946   4.157  10.678
  104    HE1  TYR  12           HE1      TYR  12  -0.491   8.338  11.727
  105    HE2  TYR  12           HE2      TYR  12  -3.821   5.709  12.403
  106    HH   TYR  12           HH       TYR  12  -2.709   8.870  12.763
  107    H    LYS  13           H        LYS  13   1.210   1.432   8.688
  108    HA   LYS  13           HA       LYS  13  -0.780   0.335   6.793
  109   1HB   LYS  13          2HB       LYS  13   2.041   0.767   6.943
  110   2HB   LYS  13          1HB       LYS  13   1.773  -0.962   6.717
  111   1HG   LYS  13          2HG       LYS  13   1.330  -0.594   4.545
  112   2HG   LYS  13          1HG       LYS  13  -0.052   0.399   5.012
  113   1HD   LYS  13          2HD       LYS  13   1.044   2.160   4.130
  114   2HD   LYS  13          1HD       LYS  13   2.167   2.034   5.484
  115   1HE   LYS  13          2HE       LYS  13   2.850   0.042   3.512
  116   2HE   LYS  13          1HE       LYS  13   2.761   1.638   2.740
  117   1HZ   LYS  13          1HZ       LYS  13   4.917   0.971   3.975
  118   2HZ   LYS  13          2HZ       LYS  13   4.035   1.342   5.380
  119   3HZ   LYS  13          3HZ       LYS  13   4.291   2.532   4.195
  120    H    HIS  14           H        HIS  14  -1.672  -0.420   9.245
  121    HA   HIS  14           HA       HIS  14  -0.487  -3.001  10.044
  122   1HB   HIS  14          2HB       HIS  14  -2.812  -1.276  10.925
  123   2HB   HIS  14          1HB       HIS  14  -2.518  -2.867  11.628
  124    HD1  HIS  14           HD1      HIS  14  -2.178  -1.057  13.775
  125    HD2  HIS  14           HD2      HIS  14   0.876  -1.379  10.956
  126    HE1  HIS  14           HE1      HIS  14  -0.089  -0.139  14.875
  127    H    TYR  15           H        TYR  15  -2.884  -1.831   7.885
  128    HA   TYR  15           HA       TYR  15  -4.380  -4.386   7.800
  129   1HB   TYR  15          2HB       TYR  15  -5.630  -3.083   5.999
  130   2HB   TYR  15          1HB       TYR  15  -5.652  -2.344   7.599
  131    HD1  TYR  15           HD1      TYR  15  -5.135  -0.083   7.755
  132    HD2  TYR  15           HD2      TYR  15  -3.502  -2.387   4.518
  133    HE1  TYR  15           HE1      TYR  15  -4.078   1.962   6.833
  134    HE2  TYR  15           HE2      TYR  15  -2.445  -0.343   3.597
  135    HH   TYR  15           HH       TYR  15  -3.150   2.831   4.885
  136    H    CYS  16           H        CYS  16  -1.448  -3.367   6.677
  137    HA   CYS  16           HA       CYS  16  -1.453  -5.373   4.502
  138   1HB   CYS  16          2HB       CYS  16  -1.427  -2.412   4.161
  139   2HB   CYS  16          1HB       CYS  16  -0.320  -3.332   3.142
  140    H    ILE  17           H        ILE  17   0.332  -6.528   5.170
  141    HA   ILE  17           HA       ILE  17   2.557  -5.278   6.587
  142    HB   ILE  17           HB       ILE  17   2.245  -8.034   5.356
  143   1HG1  ILE  17          2HG1      ILE  17   0.404  -7.282   6.948
  144   2HG1  ILE  17          1HG1      ILE  17   1.284  -8.726   7.446
  145   1HG2  ILE  17          1HG2      ILE  17   4.060  -6.885   7.490
  146   2HG2  ILE  17          2HG2      ILE  17   4.532  -7.661   5.978
  147   3HG2  ILE  17          3HG2      ILE  17   3.813  -8.618   7.273
  148   1HD1  ILE  17          1HD1      ILE  17   0.877  -6.644   9.105
  149   2HD1  ILE  17          2HD1      ILE  17   2.384  -6.115   8.357
  150   3HD1  ILE  17          3HD1      ILE  17   2.315  -7.661   9.201
  151    H    LYS  18           H        LYS  18   2.775  -7.369   3.695
  152    HA   LYS  18           HA       LYS  18   5.090  -5.784   2.756
  153   1HB   LYS  18          2HB       LYS  18   5.353  -7.662   1.217
  154   2HB   LYS  18          1HB       LYS  18   5.021  -8.291   2.830
  155   1HG   LYS  18          2HG       LYS  18   2.524  -8.243   2.077
  156   2HG   LYS  18          1HG       LYS  18   3.186  -8.155   0.446
  157   1HD   LYS  18          2HD       LYS  18   2.746 -10.497   1.142
  158   2HD   LYS  18          1HD       LYS  18   4.457 -10.214   0.819
  159   1HE   LYS  18          2HE       LYS  18   3.926  -9.585   3.579
  160   2HE   LYS  18          1HE       LYS  18   3.312 -11.208   3.219
  161   1HZ   LYS  18          1HZ       LYS  18   5.351 -11.973   2.678
  162   2HZ   LYS  18          2HZ       LYS  18   5.877 -10.722   3.700
  163   3HZ   LYS  18          3HZ       LYS  18   5.862 -10.499   2.016
  164    H    GLY  19           H        GLY  19   3.040  -4.070   2.536
  165   1HA   GLY  19          2HA       GLY  19   2.721  -3.781  -0.358
  166   2HA   GLY  19          1HA       GLY  19   1.206  -4.066   0.500
  167    H    ARG  20           H        ARG  20   1.918  -1.638  -0.912
  168    HA   ARG  20           HA       ARG  20   2.180   0.303   1.358
  169   1HB   ARG  20          2HB       ARG  20   3.128   0.133  -1.441
  170   2HB   ARG  20          1HB       ARG  20   2.531   1.723  -0.960
  171   1HG   ARG  20          2HG       ARG  20   4.267   2.084   0.463
  172   2HG   ARG  20          1HG       ARG  20   4.264   0.416   1.040
  173   1HD   ARG  20          2HD       ARG  20   6.335   0.701  -0.156
  174   2HD   ARG  20          1HD       ARG  20   5.273  -0.208  -1.250
  175    HE   ARG  20           HE       ARG  20   4.663   2.373  -1.902
  176   1HH1  ARG  20          1HH2      ARG  20   6.881   0.241  -2.961
  177   2HH1  ARG  20          2HH2      ARG  20   8.087   1.389  -3.442
  178   1HH2  ARG  20          1HH1      ARG  20   6.541   4.068  -1.875
  179   2HH2  ARG  20          2HH1      ARG  20   7.895   3.555  -2.827
  180    H    CYS  21           H        CYS  21   0.505   1.796   1.655
  181    HA   CYS  21           HA       CYS  21  -1.851   1.511  -0.180
  182   1HB   CYS  21          2HB       CYS  21  -2.282   0.674   2.043
  183   2HB   CYS  21          1HB       CYS  21  -1.580   2.116   2.775
  184    H    ARG  22           H        ARG  22  -2.262   3.312  -1.371
  185    HA   ARG  22           HA       ARG  22  -1.044   5.906  -0.579
  186   1HB   ARG  22          2HB       ARG  22  -0.991   4.710  -2.903
  187   2HB   ARG  22          1HB       ARG  22  -2.639   5.317  -3.071
  188   1HG   ARG  22          2HG       ARG  22  -1.579   7.158  -3.916
  189   2HG   ARG  22          1HG       ARG  22  -1.393   7.567  -2.210
  190   1HD   ARG  22          2HD       ARG  22   0.859   7.399  -2.379
  191   2HD   ARG  22          1HD       ARG  22   0.717   5.755  -3.035
  192    HE   ARG  22           HE       ARG  22   0.800   8.248  -4.637
  193   1HH1  ARG  22          1HH1      ARG  22  -1.267   6.362  -5.734
  194   2HH1  ARG  22          2HH1      ARG  22  -0.334   5.413  -6.843
  195   1HH2  ARG  22          1HH2      ARG  22   2.719   6.369  -5.504
  196   2HH2  ARG  22          2HH2      ARG  22   1.923   5.419  -6.713
  197    H    PHE  23           H        PHE  23  -2.363   7.001   0.861
  198    HA   PHE  23           HA       PHE  23  -5.307   6.811   0.631
  199   1HB   PHE  23          2HB       PHE  23  -3.748   6.787   2.744
  200   2HB   PHE  23          1HB       PHE  23  -3.764   8.540   2.550
  201    HD1  PHE  23           HD1      PHE  23  -6.334   9.354   1.814
  202    HD2  PHE  23           HD2      PHE  23  -5.276   6.035   4.326
  203    HE1  PHE  23           HE1      PHE  23  -8.566   9.454   2.888
  204    HE2  PHE  23           HE2      PHE  23  -7.508   6.135   5.400
  205    HZ   PHE  23           HZ       PHE  23  -9.154   7.846   4.681
  206    H    VAL  24           H        VAL  24  -6.233   8.170  -0.868
  207    HA   VAL  24           HA       VAL  24  -4.965  10.702  -1.643
  208    HB   VAL  24           HB       VAL  24  -7.670   9.499  -2.307
  209   1HG1  VAL  24          1HG1      VAL  24  -6.122  11.856  -3.248
  210   2HG1  VAL  24          2HG1      VAL  24  -7.866  11.604  -3.193
  211   3HG1  VAL  24          3HG1      VAL  24  -6.913  10.892  -4.495
  212   1HG2  VAL  24          1HG2      VAL  24  -5.169   9.330  -3.989
  213   2HG2  VAL  24          2HG2      VAL  24  -6.643   8.370  -4.116
  214   3HG2  VAL  24          3HG2      VAL  24  -5.532   8.107  -2.771
  215    H    VAL  25           H        VAL  25  -5.172  12.426  -0.268
  216    HA   VAL  25           HA       VAL  25  -7.310  12.640   1.696
  217    HB   VAL  25           HB       VAL  25  -5.255  14.646   0.714
  218   1HG1  VAL  25          1HG1      VAL  25  -6.185  14.604   3.526
  219   2HG1  VAL  25          2HG1      VAL  25  -7.382  15.126   2.341
  220   3HG1  VAL  25          3HG1      VAL  25  -5.843  15.977   2.474
  221   1HG2  VAL  25          1HG2      VAL  25  -3.691  13.389   1.741
  222   2HG2  VAL  25          2HG2      VAL  25  -4.911  12.147   2.029
  223   3HG2  VAL  25          3HG2      VAL  25  -4.631  13.406   3.234
  224    H    ALA  26           H        ALA  26  -6.378  14.904  -0.939
  225    HA   ALA  26           HA       ALA  26  -8.573  16.569  -1.020
  226   1HB   ALA  26          1HB       ALA  26  -7.593  15.358  -3.586
  227   2HB   ALA  26          2HB       ALA  26  -6.441  16.213  -2.561
  228   3HB   ALA  26          3HB       ALA  26  -7.858  17.055  -3.189
  229    H    GLU  27           H        GLU  27  -8.372  13.430  -2.726
  230    HA   GLU  27           HA       GLU  27 -11.362  13.407  -2.899
  231   1HB   GLU  27          2HB       GLU  27 -10.323  13.283  -5.053
  232   2HB   GLU  27          1HB       GLU  27  -9.118  12.130  -4.482
  233   1HG   GLU  27          2HG       GLU  27 -10.498  10.366  -4.800
  234   2HG   GLU  27          1HG       GLU  27 -11.867  11.205  -4.069
  235    H    GLN  28           H        GLN  28 -11.717  12.544  -0.778
  236    HA   GLN  28           HA       GLN  28 -10.498  10.650   0.731
  237   1HB   GLN  28          2HB       GLN  28 -12.895  11.798   0.755
  238   2HB   GLN  28          1HB       GLN  28 -13.404  10.221   0.150
  239   1HG   GLN  28          2HG       GLN  28 -13.465   9.628   2.341
  240   2HG   GLN  28          1HG       GLN  28 -11.712   9.512   2.193
  241   1HE2  GLN  28          1HE2      GLN  28 -13.861  10.679   4.305
  242   2HE2  GLN  28          2HE2      GLN  28 -13.081  12.095   4.820
  243    H    THR  29           H        THR  29  -9.252   9.147  -0.546
  244    HA   THR  29           HA       THR  29 -10.844   6.810  -1.470
  245    HB   THR  29           HB       THR  29  -8.992   8.514  -3.147
  246    HG1  THR  29           1HG      THR  29 -11.485   7.414  -3.840
  247   1HG2  THR  29          1HG2      THR  29  -8.214   6.624  -4.096
  248   2HG2  THR  29          2HG2      THR  29  -9.846   6.371  -4.716
  249   3HG2  THR  29          3HG2      THR  29  -9.354   5.626  -3.195
  250    HA   PRO  30           HA       PRO  30  -7.026   5.654   0.812
  251   1HB   PRO  30          2HB       PRO  30  -8.217   3.654   2.251
  252   2HB   PRO  30          1HB       PRO  30  -8.232   5.354   2.763
  253   1HG   PRO  30          2HG       PRO  30 -10.365   3.757   1.443
  254   2HG   PRO  30          1HG       PRO  30 -10.494   4.998   2.699
  255   1HD   PRO  30          2HD       PRO  30 -11.043   5.444   0.056
  256   2HD   PRO  30          1HD       PRO  30 -10.514   6.710   1.187
  257    H    SER  31           H        SER  31  -6.082   4.737  -1.100
  258    HA   SER  31           HA       SER  31  -7.124   2.129  -2.070
  259   1HB   SER  31          2HB       SER  31  -5.592   2.555  -3.924
  260   2HB   SER  31          1HB       SER  31  -6.504   4.025  -3.591
  261    HG   SER  31           HG       SER  31  -4.007   3.967  -3.775
  262    H    CYS  32           H        CYS  32  -6.183   0.231  -1.411
  263    HA   CYS  32           HA       CYS  32  -3.591   0.394   0.077
  264   1HB   CYS  32          2HB       CYS  32  -4.392  -1.770   1.037
  265   2HB   CYS  32          1HB       CYS  32  -5.540  -0.457   1.296
  266    H    VAL  33           H        VAL  33  -2.094   0.187  -1.648
  267    HA   VAL  33           HA       VAL  33  -2.419  -2.013  -3.605
  268    HB   VAL  33           HB       VAL  33  -0.464   0.256  -3.162
  269   1HG1  VAL  33          1HG1      VAL  33   1.044  -1.095  -4.211
  270   2HG1  VAL  33          2HG1      VAL  33   0.115  -0.698  -5.657
  271   3HG1  VAL  33          3HG1      VAL  33  -0.204  -2.200  -4.789
  272   1HG2  VAL  33          1HG2      VAL  33  -1.421   0.663  -5.601
  273   2HG2  VAL  33          2HG2      VAL  33  -2.348   1.157  -4.184
  274   3HG2  VAL  33          3HG2      VAL  33  -2.743  -0.348  -5.016
  275    H    CYS  34           H        CYS  34  -0.947  -3.787  -3.722
  276    HA   CYS  34           HA       CYS  34   0.892  -4.107  -1.371
  277   1HB   CYS  34          2HB       CYS  34  -0.747  -6.277  -2.707
  278   2HB   CYS  34          1HB       CYS  34   0.113  -6.374  -1.172
  279    H    ASP  35           H        ASP  35   2.706  -5.601  -1.807
  280    HA   ASP  35           HA       ASP  35   4.073  -5.118  -4.244
  281   1HB   ASP  35          2HB       ASP  35   4.269  -6.961  -1.907
  282   2HB   ASP  35          1HB       ASP  35   5.235  -7.369  -3.326
  283    H    GLU  36           H        GLU  36   3.569  -5.890  -6.256
  284    HA   GLU  36           HA       GLU  36   1.590  -7.695  -6.982
  285   1HB   GLU  36          2HB       GLU  36   3.444  -6.203  -8.253
  286   2HB   GLU  36          1HB       GLU  36   4.156  -7.799  -8.495
  287   1HG   GLU  36          2HG       GLU  36   2.673  -8.211 -10.133
  288   2HG   GLU  36          1HG       GLU  36   1.351  -8.015  -8.980
  289    H    GLY  37           H        GLY  37   4.865  -8.433  -5.863
  290   1HA   GLY  37          2HA       GLY  37   4.482 -11.318  -6.380
  291   2HA   GLY  37          1HA       GLY  37   5.947 -10.566  -5.745
  292    H    TYR  38           H        TYR  38   2.607 -10.238  -4.559
  293    HA   TYR  38           HA       TYR  38   3.524 -11.473  -1.986
  294   1HB   TYR  38          2HB       TYR  38   2.667  -9.657  -0.846
  295   2HB   TYR  38          1HB       TYR  38   3.030  -8.856  -2.371
  296    HD1  TYR  38           HD1      TYR  38   0.624  -9.039   0.053
  297    HD2  TYR  38           HD2      TYR  38   0.988  -9.423  -4.208
  298    HE1  TYR  38           HE1      TYR  38  -1.778  -8.473  -0.204
  299    HE2  TYR  38           HE2      TYR  38  -1.411  -8.857  -4.466
  300    HH   TYR  38           HH       TYR  38  -3.190  -7.829  -3.317
  301    H    ILE  39           H        ILE  39   1.592 -12.277  -0.660
  302    HA   ILE  39           HA       ILE  39  -0.774 -13.052  -2.282
  303    HB   ILE  39           HB       ILE  39   1.277 -14.914  -1.058
  304   1HG1  ILE  39          2HG1      ILE  39   0.071 -14.749  -3.839
  305   2HG1  ILE  39          1HG1      ILE  39   1.644 -14.090  -3.387
  306   1HG2  ILE  39          1HG2      ILE  39  -1.421 -15.673  -2.210
  307   2HG2  ILE  39          2HG2      ILE  39  -1.081 -15.584  -0.481
  308   3HG2  ILE  39          3HG2      ILE  39  -0.231 -16.756  -1.488
  309   1HD1  ILE  39          1HD1      ILE  39   2.560 -16.229  -2.986
  310   2HD1  ILE  39          2HD1      ILE  39   1.592 -16.456  -4.443
  311   3HD1  ILE  39          3HD1      ILE  39   0.970 -16.986  -2.880
  312    H    GLY  40           H        GLY  40  -2.574 -13.679  -0.933
  313   1HA   GLY  40          2HA       GLY  40  -3.407 -14.316   1.321
  314   2HA   GLY  40          1HA       GLY  40  -2.132 -13.307   2.003
  315    H    ALA  41           H        ALA  41  -4.596 -12.741   2.918
  316    HA   ALA  41           HA       ALA  41  -5.875 -10.664   1.254
  317   1HB   ALA  41          1HB       ALA  41  -6.800 -10.839   3.986
  318   2HB   ALA  41          2HB       ALA  41  -6.592 -12.460   3.323
  319   3HB   ALA  41          3HB       ALA  41  -7.642 -11.301   2.508
  320    H    ARG  42           H        ARG  42  -4.117 -10.859   4.365
  321    HA   ARG  42           HA       ARG  42  -4.062  -7.900   4.555
  322   1HB   ARG  42          2HB       ARG  42  -3.504 -10.272   6.287
  323   2HB   ARG  42          1HB       ARG  42  -2.693  -8.759   6.691
  324   1HG   ARG  42          2HG       ARG  42  -5.274  -7.929   6.179
  325   2HG   ARG  42          1HG       ARG  42  -5.524  -9.489   6.964
  326   1HD   ARG  42          2HD       ARG  42  -3.443  -8.025   8.346
  327   2HD   ARG  42          1HD       ARG  42  -4.921  -7.047   8.242
  328    HE   ARG  42           HE       ARG  42  -5.729  -9.678   8.878
  329   1HH1  ARG  42          1HH1      ARG  42  -3.255  -9.633  10.563
  330   2HH1  ARG  42          2HH1      ARG  42  -3.837  -8.957  12.047
  331   1HH2  ARG  42          1HH2      ARG  42  -6.755  -7.715  10.644
  332   2HH2  ARG  42          2HH2      ARG  42  -5.819  -7.870  12.093
  333    H    CYS  43           H        CYS  43  -2.459  -9.729   2.577
  334    HA   CYS  43           HA       CYS  43  -0.323  -9.594   1.569
  335   1HB   CYS  43          2HB       CYS  43   0.048  -7.224   3.421
  336   2HB   CYS  43          1HB       CYS  43   0.765  -7.470   1.829
  337    H    GLU  44           H        GLU  44  -0.627 -11.318   3.847
  338    HA   GLU  44           HA       GLU  44   1.837 -10.900   5.466
  339   1HB   GLU  44          2HB       GLU  44   0.841 -12.597   6.898
  340   2HB   GLU  44          1HB       GLU  44  -0.408 -11.424   6.477
  341   1HG   GLU  44          2HG       GLU  44  -1.618 -13.245   5.856
  342   2HG   GLU  44          1HG       GLU  44  -0.613 -13.213   4.406
  343    H    ARG  45           H        ARG  45   0.524 -12.937   2.930
  344    HA   ARG  45           HA       ARG  45   2.697 -14.931   3.202
  345   1HB   ARG  45          2HB       ARG  45   0.038 -14.803   2.188
  346   2HB   ARG  45          1HB       ARG  45   1.094 -15.190   0.828
  347   1HG   ARG  45          2HG       ARG  45   1.881 -16.680   3.187
  348   2HG   ARG  45          1HG       ARG  45   0.183 -16.968   2.804
  349   1HD   ARG  45          2HD       ARG  45   0.668 -17.928   0.742
  350   2HD   ARG  45          1HD       ARG  45   2.182 -17.019   0.562
  351    HE   ARG  45           HE       ARG  45   2.388 -18.703   2.863
  352   1HH1  ARG  45          1HH1      ARG  45   1.830 -19.075  -0.504
  353   2HH1  ARG  45          2HH1      ARG  45   2.917 -20.413  -0.678
  354   1HH2  ARG  45          1HH2      ARG  45   3.976 -20.326   2.624
  355   2HH2  ARG  45          2HH2      ARG  45   4.132 -21.121   1.093
  356    H    VAL  46           H        VAL  46   4.079 -15.399   1.283
  357    HA   VAL  46           HA       VAL  46   4.612 -12.925  -0.334
  358    HB   VAL  46           HB       VAL  46   6.275 -13.617   1.441
  359   1HG1  VAL  46          1HG1      VAL  46   7.305 -15.674   1.411
  360   2HG1  VAL  46          2HG1      VAL  46   7.188 -15.822  -0.342
  361   3HG1  VAL  46          3HG1      VAL  46   5.777 -16.142   0.665
  362   1HG2  VAL  46          1HG2      VAL  46   8.128 -13.067   0.103
  363   2HG2  VAL  46          2HG2      VAL  46   6.776 -12.423  -0.830
  364   3HG2  VAL  46          3HG2      VAL  46   7.509 -13.961  -1.285
  365    H    ASP  47           H        ASP  47   5.510 -13.372  -2.521
  366    HA   ASP  47           HA       ASP  47   4.268 -15.806  -3.706
  367   1HB   ASP  47          2HB       ASP  47   3.687 -13.631  -4.642
  368   2HB   ASP  47          1HB       ASP  47   5.392 -13.229  -4.851
  369    H    LEU  48           H        LEU  48   6.981 -14.150  -5.182
  370    HA   LEU  48           HA       LEU  48   8.670 -16.592  -4.733
  371   1HB   LEU  48          2HB       LEU  48   7.726 -15.181  -7.128
  372   2HB   LEU  48          1HB       LEU  48   9.470 -15.437  -7.126
  373    HG   LEU  48           HG       LEU  48   8.093 -17.322  -8.141
  374   1HD1  LEU  48          1HD1      LEU  48   9.359 -19.094  -6.767
  375   2HD1  LEU  48          2HD1      LEU  48   9.970 -17.744  -5.811
  376   3HD1  LEU  48          3HD1      LEU  48  10.331 -17.838  -7.535
  377   1HD2  LEU  48          1HD2      LEU  48   6.397 -17.049  -6.145
  378   2HD2  LEU  48          2HD2      LEU  48   7.510 -18.128  -5.304
  379   3HD2  LEU  48          3HD2      LEU  48   6.727 -18.656  -6.794
  380    H    PHE  49           H        PHE  49   9.138 -14.782  -2.857
  381    HA   PHE  49           HA       PHE  49  10.781 -12.527  -3.511
  382   1HB   PHE  49          2HB       PHE  49   9.601 -13.662  -1.283
  383   2HB   PHE  49          1HB       PHE  49  11.320 -13.897  -0.964
  384    HD1  PHE  49           HD1      PHE  49   9.494 -11.164  -2.764
  385    HD2  PHE  49           HD2      PHE  49  11.990 -12.248   0.559
  386    HE1  PHE  49           HE1      PHE  49   9.711  -8.772  -2.148
  387    HE2  PHE  49           HE2      PHE  49  12.208  -9.855   1.176
  388    HZ   PHE  49           HZ       PHE  49  11.068  -8.118  -0.178
  389    H    TYR  50           H        TYR  50  11.612 -15.886  -2.618
  390    HA   TYR  50           HA       TYR  50  14.490 -15.401  -2.884
  391   1HB   TYR  50          2HB       TYR  50  13.195 -17.042  -1.354
  392   2HB   TYR  50          1HB       TYR  50  13.059 -18.059  -2.788
  393    HD1  TYR  50           HD1      TYR  50  15.287 -18.503  -4.103
  394    HD2  TYR  50           HD2      TYR  50  15.109 -17.197  -0.014
  395    HE1  TYR  50           HE1      TYR  50  17.595 -19.333  -3.738
  396    HE2  TYR  50           HE2      TYR  50  17.417 -18.027   0.351
  397    HH   TYR  50           HH       TYR  50  18.901 -19.903  -0.818
  Start of MODEL   12
    1   1H    ARG   1          H1        ARG   1   3.518  17.550 -10.352
    2   2H    ARG   1          H2        ARG   1   2.354  17.746  -9.130
    3   3H    ARG   1          H3        ARG   1   3.718  18.758  -9.177
    4    HA   ARG   1           HA       ARG   1   1.959  20.058 -10.040
    5   1HB   ARG   1          2HB       ARG   1   4.220  19.120 -11.529
    6   2HB   ARG   1          1HB       ARG   1   2.897  19.405 -12.661
    7   1HG   ARG   1          2HG       ARG   1   3.076  21.641 -12.433
    8   2HG   ARG   1          1HG       ARG   1   3.064  21.522 -10.673
    9   1HD   ARG   1          2HD       ARG   1   5.318  21.768 -10.561
   10   2HD   ARG   1          1HD       ARG   1   5.577  20.552 -11.828
   11    HE   ARG   1           HE       ARG   1   4.465  23.021 -12.889
   12   1HH1  ARG   1          1HH2      ARG   1   7.327  22.222 -11.273
   13   2HH1  ARG   1          2HH2      ARG   1   8.385  22.789 -12.521
   14   1HH2  ARG   1          1HH1      ARG   1   5.824  23.405 -14.776
   15   2HH2  ARG   1          2HH1      ARG   1   7.534  23.459 -14.506
   16    H    LYS   2           H        LYS   2   1.864  16.711 -10.979
   17    HA   LYS   2           HA       LYS   2  -0.778  17.171 -12.331
   18   1HB   LYS   2          2HB       LYS   2   1.535  16.093 -13.350
   19   2HB   LYS   2          1HB       LYS   2   0.683  14.649 -12.803
   20   1HG   LYS   2          2HG       LYS   2  -1.380  15.804 -13.995
   21   2HG   LYS   2          1HG       LYS   2  -0.113  16.637 -14.897
   22   1HD   LYS   2          2HD       LYS   2   0.829  14.094 -14.999
   23   2HD   LYS   2          1HD       LYS   2  -0.908  13.780 -14.953
   24   1HE   LYS   2          2HE       LYS   2  -1.237  14.632 -17.051
   25   2HE   LYS   2          1HE       LYS   2  -0.080  15.954 -16.795
   26   1HZ   LYS   2          1HZ       LYS   2   0.444  13.157 -17.565
   27   2HZ   LYS   2          2HZ       LYS   2   1.633  14.038 -16.730
   28   3HZ   LYS   2          3HZ       LYS   2   1.069  14.583 -18.237
   29    H    GLY   3           H        GLY   3   0.790  15.831  -9.627
   30   1HA   GLY   3          2HA       GLY   3  -1.675  14.675  -8.627
   31   2HA   GLY   3          1HA       GLY   3  -0.498  13.434  -9.060
   32    H    HIS   4           H        HIS   4  -1.514  14.250  -6.370
   33    HA   HIS   4           HA       HIS   4   1.111  14.387  -5.039
   34   1HB   HIS   4          2HB       HIS   4   0.363  16.447  -3.764
   35   2HB   HIS   4          1HB       HIS   4   0.682  16.728  -5.476
   36    HD1  HIS   4           HD1      HIS   4  -1.405  17.012  -7.051
   37    HD2  HIS   4           HD2      HIS   4  -2.336  16.764  -2.995
   38    HE1  HIS   4           HE1      HIS   4  -3.810  17.771  -6.820
   39    H    PHE   5           H        PHE   5   0.307  12.292  -4.245
   40    HA   PHE   5           HA       PHE   5  -2.024  12.449  -2.382
   41   1HB   PHE   5          2HB       PHE   5  -0.504  10.018  -3.359
   42   2HB   PHE   5          1HB       PHE   5  -2.135  10.070  -2.691
   43    HD1  PHE   5           HD1      PHE   5  -3.961  11.259  -3.980
   44    HD2  PHE   5           HD2      PHE   5  -0.106  10.407  -5.673
   45    HE1  PHE   5           HE1      PHE   5  -4.885  11.603  -6.256
   46    HE2  PHE   5           HE2      PHE   5  -1.029  10.751  -7.949
   47    HZ   PHE   5           HZ       PHE   5  -3.418  11.350  -8.241
   48    H    SER   6           H        SER   6  -1.226  10.176  -0.830
   49    HA   SER   6           HA       SER   6   1.287  11.086   0.512
   50   1HB   SER   6          2HB       SER   6  -1.369  10.495   1.855
   51   2HB   SER   6          1HB       SER   6   0.105  11.027   2.659
   52    HG   SER   6           HG       SER   6  -1.096  12.840   2.309
   53    H    ARG   7           H        ARG   7   2.570   9.346   1.022
   54    HA   ARG   7           HA       ARG   7   1.556   6.622   0.526
   55   1HB   ARG   7          2HB       ARG   7   3.733   7.306  -0.320
   56   2HB   ARG   7          1HB       ARG   7   4.246   7.798   1.294
   57   1HG   ARG   7          2HG       ARG   7   3.326   5.102   1.463
   58   2HG   ARG   7          1HG       ARG   7   4.433   5.207   0.094
   59   1HD   ARG   7          2HD       ARG   7   5.680   6.732   2.081
   60   2HD   ARG   7          1HD       ARG   7   5.038   5.320   2.943
   61    HE   ARG   7           HE       ARG   7   6.220   4.513   0.441
   62   1HH1  ARG   7          1HH2      ARG   7   7.475   6.262   3.043
   63   2HH1  ARG   7          2HH2      ARG   7   8.760   5.151   3.386
   64   1HH2  ARG   7          1HH1      ARG   7   7.653   2.762   1.131
   65   2HH2  ARG   7          2HH1      ARG   7   8.860   3.171   2.304
   66    H    CYS   8           H        CYS   8   0.740   5.375   2.158
   67    HA   CYS   8           HA       CYS   8   0.785   6.235   4.929
   68   1HB   CYS   8          2HB       CYS   8  -0.415   4.196   3.218
   69   2HB   CYS   8          1HB       CYS   8   0.025   3.549   4.798
   70    HA   PRO   9           HA       PRO   9   4.796   4.379   5.657
   71   1HB   PRO   9          2HB       PRO   9   4.960   5.117   8.290
   72   2HB   PRO   9          1HB       PRO   9   5.290   6.234   6.950
   73   1HG   PRO   9          2HG       PRO   9   2.835   5.947   8.612
   74   2HG   PRO   9          1HG       PRO   9   3.620   7.412   8.002
   75   1HD   PRO   9          2HD       PRO   9   1.401   6.329   6.862
   76   2HD   PRO   9          1HD       PRO   9   2.610   7.258   5.948
   77    H    LYS  10           H        LYS  10   5.591   2.898   7.607
   78    HA   LYS  10           HA       LYS  10   3.894   0.590   7.716
   79   1HB   LYS  10          2HB       LYS  10   6.397   1.559   9.078
   80   2HB   LYS  10          1HB       LYS  10   5.653   0.043   9.590
   81   1HG   LYS  10          2HG       LYS  10   6.250  -1.043   7.680
   82   2HG   LYS  10          1HG       LYS  10   5.920   0.362   6.665
   83   1HD   LYS  10          2HD       LYS  10   8.120   0.812   6.577
   84   2HD   LYS  10          1HD       LYS  10   8.146   1.004   8.331
   85   1HE   LYS  10          2HE       LYS  10   9.051  -1.071   8.667
   86   2HE   LYS  10          1HE       LYS  10   8.080  -1.806   7.375
   87   1HZ   LYS  10          1HZ       LYS  10  10.519  -0.144   7.097
   88   2HZ   LYS  10          2HZ       LYS  10   9.470  -0.444   5.795
   89   3HZ   LYS  10          3HZ       LYS  10  10.276  -1.733   6.555
   90    H    GLN  11           H        GLN  11   4.413   3.284   9.968
   91    HA   GLN  11           HA       GLN  11   3.125   2.216  12.265
   92   1HB   GLN  11          2HB       GLN  11   3.752   4.892  11.104
   93   2HB   GLN  11          1HB       GLN  11   2.593   4.850  12.433
   94   1HG   GLN  11          2HG       GLN  11   4.479   3.192  13.434
   95   2HG   GLN  11          1HG       GLN  11   5.499   4.229  12.436
   96   1HE2  GLN  11          1HE2      GLN  11   5.387   6.612  12.879
   97   2HE2  GLN  11          2HE2      GLN  11   4.926   7.151  14.421
   98    H    TYR  12           H        TYR  12   1.813   3.242   9.222
   99    HA   TYR  12           HA       TYR  12  -0.957   3.142  10.374
  100   1HB   TYR  12          2HB       TYR  12   0.449   4.847   8.387
  101   2HB   TYR  12          1HB       TYR  12  -1.214   4.416   7.988
  102    HD1  TYR  12           HD1      TYR  12   0.798   6.733   9.709
  103    HD2  TYR  12           HD2      TYR  12  -2.912   4.594  10.047
  104    HE1  TYR  12           HE1      TYR  12  -0.030   8.424  11.323
  105    HE2  TYR  12           HE2      TYR  12  -3.740   6.285  11.662
  106    HH   TYR  12           HH       TYR  12  -2.427   7.997  13.363
  107    H    LYS  13           H        LYS  13   1.240   1.383   8.591
  108    HA   LYS  13           HA       LYS  13  -0.668   0.333   6.590
  109   1HB   LYS  13          2HB       LYS  13   2.148   0.596   6.924
  110   2HB   LYS  13          1HB       LYS  13   1.800  -1.130   6.815
  111   1HG   LYS  13          2HG       LYS  13   0.825  -0.929   4.688
  112   2HG   LYS  13          1HG       LYS  13   0.541   0.802   4.878
  113   1HD   LYS  13          2HD       LYS  13   2.417   0.433   3.347
  114   2HD   LYS  13          1HD       LYS  13   2.996   1.186   4.834
  115   1HE   LYS  13          2HE       LYS  13   3.863  -0.899   5.661
  116   2HE   LYS  13          1HE       LYS  13   3.046  -1.814   4.378
  117   1HZ   LYS  13          1HZ       LYS  13   4.335  -0.647   2.729
  118   2HZ   LYS  13          2HZ       LYS  13   5.392  -1.366   3.848
  119   3HZ   LYS  13          3HZ       LYS  13   5.081   0.303   3.919
  120    H    HIS  14           H        HIS  14  -1.724  -0.189   9.082
  121    HA   HIS  14           HA       HIS  14  -0.844  -2.850  10.004
  122   1HB   HIS  14          2HB       HIS  14  -2.713  -0.677  10.824
  123   2HB   HIS  14          1HB       HIS  14  -3.122  -2.309  11.358
  124    HD1  HIS  14           HD1      HIS  14  -1.768   0.298  12.961
  125    HD2  HIS  14           HD2      HIS  14  -0.050  -3.378  12.007
  126    HE1  HIS  14           HE1      HIS  14   0.151  -0.038  14.580
  127    H    TYR  15           H        TYR  15  -2.991  -1.539   7.693
  128    HA   TYR  15           HA       TYR  15  -4.797  -3.888   7.681
  129   1HB   TYR  15          2HB       TYR  15  -5.781  -2.554   5.731
  130   2HB   TYR  15          1HB       TYR  15  -5.810  -1.739   7.293
  131    HD1  TYR  15           HD1      TYR  15  -5.020   0.444   7.403
  132    HD2  TYR  15           HD2      TYR  15  -3.531  -2.168   4.337
  133    HE1  TYR  15           HE1      TYR  15  -3.687   2.311   6.462
  134    HE2  TYR  15           HE2      TYR  15  -2.199  -0.300   3.393
  135    HH   TYR  15           HH       TYR  15  -1.214   2.075   4.659
  136    H    CYS  16           H        CYS  16  -1.717  -3.307   6.654
  137    HA   CYS  16           HA       CYS  16  -1.829  -5.466   4.657
  138   1HB   CYS  16          2HB       CYS  16  -1.550  -2.560   4.021
  139   2HB   CYS  16          1HB       CYS  16  -0.556  -3.689   3.100
  140    H    ILE  17           H        ILE  17  -0.132  -6.663   5.456
  141    HA   ILE  17           HA       ILE  17   2.070  -5.590   6.952
  142    HB   ILE  17           HB       ILE  17   1.496  -8.183   5.510
  143   1HG1  ILE  17          2HG1      ILE  17   1.618  -7.373   8.433
  144   2HG1  ILE  17          1HG1      ILE  17   0.154  -7.703   7.506
  145   1HG2  ILE  17          1HG2      ILE  17   4.045  -7.191   6.419
  146   2HG2  ILE  17          2HG2      ILE  17   3.670  -8.746   5.675
  147   3HG2  ILE  17          3HG2      ILE  17   3.552  -8.554   7.424
  148   1HD1  ILE  17          1HD1      ILE  17   0.652 -10.007   7.319
  149   2HD1  ILE  17          2HD1      ILE  17   1.080  -9.611   8.983
  150   3HD1  ILE  17          3HD1      ILE  17   2.342  -9.764   7.762
  151    H    LYS  18           H        LYS  18   2.518  -7.397   3.906
  152    HA   LYS  18           HA       LYS  18   4.758  -5.559   3.230
  153   1HB   LYS  18          2HB       LYS  18   5.408  -7.373   1.729
  154   2HB   LYS  18          1HB       LYS  18   5.014  -8.051   3.309
  155   1HG   LYS  18          2HG       LYS  18   2.576  -8.176   2.187
  156   2HG   LYS  18          1HG       LYS  18   3.555  -8.297   0.726
  157   1HD   LYS  18          2HD       LYS  18   3.914 -10.036   3.184
  158   2HD   LYS  18          1HD       LYS  18   3.047 -10.527   1.728
  159   1HE   LYS  18          2HE       LYS  18   5.008 -11.150   0.788
  160   2HE   LYS  18          1HE       LYS  18   5.596  -9.481   0.930
  161   1HZ   LYS  18          1HZ       LYS  18   7.036 -10.511   2.349
  162   2HZ   LYS  18          2HZ       LYS  18   5.935 -11.733   2.774
  163   3HZ   LYS  18          3HZ       LYS  18   5.782 -10.178   3.442
  164    H    GLY  19           H        GLY  19   2.884  -3.925   2.729
  165   1HA   GLY  19          2HA       GLY  19   2.552  -3.873  -0.176
  166   2HA   GLY  19          1HA       GLY  19   1.035  -4.058   0.706
  167    H    ARG  20           H        ARG  20   1.898  -1.759  -0.909
  168    HA   ARG  20           HA       ARG  20   2.111   0.348   1.215
  169   1HB   ARG  20          2HB       ARG  20   2.952   1.731  -0.704
  170   2HB   ARG  20          1HB       ARG  20   3.939   0.298  -0.410
  171   1HG   ARG  20          2HG       ARG  20   1.669  -0.067  -2.283
  172   2HG   ARG  20          1HG       ARG  20   2.981   0.960  -2.860
  173   1HD   ARG  20          2HD       ARG  20   3.753  -1.608  -1.538
  174   2HD   ARG  20          1HD       ARG  20   3.071  -1.699  -3.175
  175    HE   ARG  20           HE       ARG  20   4.980   0.430  -3.082
  176   1HH1  ARG  20          1HH1      ARG  20   4.749  -1.894  -5.085
  177   2HH1  ARG  20          2HH1      ARG  20   6.289  -2.656  -4.869
  178   1HH2  ARG  20          1HH2      ARG  20   6.974  -1.029  -1.885
  179   2HH2  ARG  20          2HH2      ARG  20   7.549  -2.166  -3.058
  180    H    CYS  21           H        CYS  21   0.495   1.941   1.287
  181    HA   CYS  21           HA       CYS  21  -1.723   1.687  -0.720
  182   1HB   CYS  21          2HB       CYS  21  -2.456   0.709   1.329
  183   2HB   CYS  21          1HB       CYS  21  -1.718   1.992   2.289
  184    H    ARG  22           H        ARG  22  -2.348   3.609  -1.645
  185    HA   ARG  22           HA       ARG  22  -1.050   6.113  -0.672
  186   1HB   ARG  22          2HB       ARG  22  -2.341   5.221  -3.266
  187   2HB   ARG  22          1HB       ARG  22  -1.816   6.882  -2.985
  188   1HG   ARG  22          2HG       ARG  22   0.152   4.729  -2.382
  189   2HG   ARG  22          1HG       ARG  22  -0.196   5.041  -4.083
  190   1HD   ARG  22          2HD       ARG  22   0.105   7.585  -3.296
  191   2HD   ARG  22          1HD       ARG  22   1.131   6.810  -2.072
  192    HE   ARG  22           HE       ARG  22   2.110   5.560  -4.178
  193   1HH1  ARG  22          1HH1      ARG  22   2.061   8.805  -3.372
  194   2HH1  ARG  22          2HH1      ARG  22   2.595   9.384  -4.916
  195   1HH2  ARG  22          1HH2      ARG  22   2.324   6.292  -6.465
  196   2HH2  ARG  22          2HH2      ARG  22   2.743   7.960  -6.666
  197    H    PHE  23           H        PHE  23  -2.333   7.421   0.570
  198    HA   PHE  23           HA       PHE  23  -5.300   7.155   0.366
  199   1HB   PHE  23          2HB       PHE  23  -3.794   6.988   2.509
  200   2HB   PHE  23          1HB       PHE  23  -3.773   8.750   2.414
  201    HD1  PHE  23           HD1      PHE  23  -6.302   9.663   1.686
  202    HD2  PHE  23           HD2      PHE  23  -5.378   6.165   3.999
  203    HE1  PHE  23           HE1      PHE  23  -8.557   9.745   2.709
  204    HE2  PHE  23           HE2      PHE  23  -7.633   6.248   5.026
  205    HZ   PHE  23           HZ       PHE  23  -9.224   8.038   4.381
  206    H    VAL  24           H        VAL  24  -6.248   8.650  -0.990
  207    HA   VAL  24           HA       VAL  24  -4.872  11.220  -1.534
  208    HB   VAL  24           HB       VAL  24  -7.562  10.377  -2.598
  209   1HG1  VAL  24          1HG1      VAL  24  -7.157  12.241  -3.795
  210   2HG1  VAL  24          2HG1      VAL  24  -5.883  11.339  -4.617
  211   3HG1  VAL  24          3HG1      VAL  24  -5.496  12.331  -3.211
  212   1HG2  VAL  24          1HG2      VAL  24  -4.847   9.271  -3.382
  213   2HG2  VAL  24          2HG2      VAL  24  -6.273   9.159  -4.415
  214   3HG2  VAL  24          3HG2      VAL  24  -6.257   8.358  -2.844
  215    H    VAL  25           H        VAL  25  -5.380  13.043  -0.411
  216    HA   VAL  25           HA       VAL  25  -7.550  13.058   1.550
  217    HB   VAL  25           HB       VAL  25  -5.688  15.247   0.575
  218   1HG1  VAL  25          1HG1      VAL  25  -6.315  16.469   2.447
  219   2HG1  VAL  25          2HG1      VAL  25  -6.796  15.033   3.350
  220   3HG1  VAL  25          3HG1      VAL  25  -7.838  15.662   2.075
  221   1HG2  VAL  25          1HG2      VAL  25  -5.354  12.950   2.474
  222   2HG2  VAL  25          2HG2      VAL  25  -4.550  14.476   2.843
  223   3HG2  VAL  25          3HG2      VAL  25  -4.194  13.634   1.335
  224    H    ALA  26           H        ALA  26  -6.781  15.369  -1.099
  225    HA   ALA  26           HA       ALA  26  -9.145  16.789  -1.264
  226   1HB   ALA  26          1HB       ALA  26  -7.361  15.623  -3.420
  227   2HB   ALA  26          2HB       ALA  26  -7.301  17.247  -2.734
  228   3HB   ALA  26          3HB       ALA  26  -8.642  16.781  -3.781
  229    H    GLU  27           H        GLU  27  -8.518  13.652  -2.845
  230    HA   GLU  27           HA       GLU  27 -11.465  13.290  -3.217
  231   1HB   GLU  27          2HB       GLU  27  -9.493  13.122  -5.028
  232   2HB   GLU  27          1HB       GLU  27  -9.378  11.483  -4.384
  233   1HG   GLU  27          2HG       GLU  27 -12.147  12.258  -4.846
  234   2HG   GLU  27          1HG       GLU  27 -11.186  12.368  -6.321
  235    H    GLN  28           H        GLN  28 -11.338  12.875  -0.757
  236    HA   GLN  28           HA       GLN  28 -10.126  11.040   0.767
  237   1HB   GLN  28          2HB       GLN  28 -12.778  12.103   0.522
  238   2HB   GLN  28          1HB       GLN  28 -12.893  10.416   1.024
  239   1HG   GLN  28          2HG       GLN  28 -12.586  11.356   3.099
  240   2HG   GLN  28          1HG       GLN  28 -10.891  11.189   2.642
  241   1HE2  GLN  28          1HE2      GLN  28 -13.566  13.570   2.117
  242   2HE2  GLN  28          2HE2      GLN  28 -12.586  14.936   2.353
  243    H    THR  29           H        THR  29  -9.130   9.351  -0.497
  244    HA   THR  29           HA       THR  29 -10.926   7.026  -0.928
  245    HB   THR  29           HB       THR  29 -10.871   8.309  -3.044
  246    HG1  THR  29           1HG      THR  29  -9.734   5.787  -2.772
  247   1HG2  THR  29          1HG2      THR  29  -8.180   8.687  -2.289
  248   2HG2  THR  29          2HG2      THR  29  -8.983   9.303  -3.732
  249   3HG2  THR  29          3HG2      THR  29  -8.147   7.750  -3.782
  250    HA   PRO  30           HA       PRO  30  -7.055   5.581   0.878
  251   1HB   PRO  30          2HB       PRO  30  -8.172   3.424   2.127
  252   2HB   PRO  30          1HB       PRO  30  -8.230   5.062   2.804
  253   1HG   PRO  30          2HG       PRO  30 -10.344   3.507   1.434
  254   2HG   PRO  30          1HG       PRO  30 -10.478   4.708   2.724
  255   1HD   PRO  30          2HD       PRO  30 -11.016   5.160   0.036
  256   2HD   PRO  30          1HD       PRO  30 -10.708   6.417   1.253
  257    H    SER  31           H        SER  31  -6.226   4.932  -1.233
  258    HA   SER  31           HA       SER  31  -7.223   2.408  -2.414
  259   1HB   SER  31          2HB       SER  31  -5.639   3.034  -4.206
  260   2HB   SER  31          1HB       SER  31  -6.667   4.398  -3.779
  261    HG   SER  31           HG       SER  31  -4.165   4.535  -3.899
  262    H    CYS  32           H        CYS  32  -6.510   0.683  -1.121
  263    HA   CYS  32           HA       CYS  32  -3.726   0.643  -0.127
  264   1HB   CYS  32          2HB       CYS  32  -4.538  -1.446   0.961
  265   2HB   CYS  32          1HB       CYS  32  -5.608  -0.080   1.281
  266    H    VAL  33           H        VAL  33  -2.096  -0.452  -1.153
  267    HA   VAL  33           HA       VAL  33  -2.832  -2.446  -3.269
  268    HB   VAL  33           HB       VAL  33  -0.693  -0.290  -3.312
  269   1HG1  VAL  33          1HG1      VAL  33  -0.982  -1.262  -5.873
  270   2HG1  VAL  33          2HG1      VAL  33  -1.144  -2.724  -4.901
  271   3HG1  VAL  33          3HG1      VAL  33   0.303  -1.726  -4.759
  272   1HG2  VAL  33          1HG2      VAL  33  -2.590   0.908  -3.839
  273   2HG2  VAL  33          2HG2      VAL  33  -3.464  -0.521  -4.392
  274   3HG2  VAL  33          3HG2      VAL  33  -2.257   0.232  -5.433
  275    H    CYS  34           H        CYS  34  -1.676  -4.353  -3.112
  276    HA   CYS  34           HA       CYS  34   0.409  -4.518  -0.983
  277   1HB   CYS  34          2HB       CYS  34  -0.999  -6.738  -2.489
  278   2HB   CYS  34          1HB       CYS  34  -0.170  -6.852  -0.938
  279    H    ASP  35           H        ASP  35   2.359  -5.840  -1.479
  280    HA   ASP  35           HA       ASP  35   3.734  -5.071  -3.824
  281   1HB   ASP  35          2HB       ASP  35   3.973  -7.287  -1.801
  282   2HB   ASP  35          1HB       ASP  35   5.086  -7.232  -3.168
  283    H    GLU  36           H        GLU  36   3.122  -5.572  -5.899
  284    HA   GLU  36           HA       GLU  36   1.290  -7.391  -6.847
  285   1HB   GLU  36          2HB       GLU  36   3.274  -5.739  -7.868
  286   2HB   GLU  36          1HB       GLU  36   3.730  -7.334  -8.470
  287   1HG   GLU  36          2HG       GLU  36   1.110  -7.467  -8.987
  288   2HG   GLU  36          1HG       GLU  36   1.291  -5.713  -9.050
  289    H    GLY  37           H        GLY  37   4.688  -8.115  -6.040
  290   1HA   GLY  37          2HA       GLY  37   4.295 -10.956  -6.750
  291   2HA   GLY  37          1HA       GLY  37   5.811 -10.223  -6.223
  292    H    TYR  38           H        TYR  38   2.579 -10.233  -4.694
  293    HA   TYR  38           HA       TYR  38   3.837 -11.589  -2.335
  294   1HB   TYR  38          2HB       TYR  38   3.039  -9.921  -0.951
  295   2HB   TYR  38          1HB       TYR  38   3.208  -8.977  -2.426
  296    HD1  TYR  38           HD1      TYR  38   1.086  -9.445   0.210
  297    HD2  TYR  38           HD2      TYR  38   0.994  -9.500  -4.085
  298    HE1  TYR  38           HE1      TYR  38  -1.346  -8.960   0.253
  299    HE2  TYR  38           HE2      TYR  38  -1.434  -9.011  -4.041
  300    HH   TYR  38           HH       TYR  38  -3.023  -7.767  -2.128
  301    H    ILE  39           H        ILE  39   2.008 -12.472  -0.839
  302    HA   ILE  39           HA       ILE  39  -0.416 -13.317  -2.339
  303    HB   ILE  39           HB       ILE  39   1.677 -15.164  -1.146
  304   1HG1  ILE  39          2HG1      ILE  39   0.690 -14.745  -3.986
  305   2HG1  ILE  39          1HG1      ILE  39   2.268 -14.265  -3.359
  306   1HG2  ILE  39          1HG2      ILE  39  -0.137 -16.703  -2.556
  307   2HG2  ILE  39          2HG2      ILE  39  -1.172 -15.525  -1.750
  308   3HG2  ILE  39          3HG2      ILE  39  -0.089 -16.541  -0.801
  309   1HD1  ILE  39          1HD1      ILE  39   3.073 -16.322  -3.775
  310   2HD1  ILE  39          2HD1      ILE  39   1.507 -16.794  -4.435
  311   3HD1  ILE  39          3HD1      ILE  39   1.848 -17.024  -2.719
  312    H    GLY  40           H        GLY  40  -2.127 -13.944  -0.926
  313   1HA   GLY  40          2HA       GLY  40  -2.802 -14.673   1.371
  314   2HA   GLY  40          1HA       GLY  40  -1.562 -13.581   1.990
  315    H    ALA  41           H        ALA  41  -4.270 -13.393   2.785
  316    HA   ALA  41           HA       ALA  41  -5.592 -11.270   1.257
  317   1HB   ALA  41          1HB       ALA  41  -6.229 -12.103   4.080
  318   2HB   ALA  41          2HB       ALA  41  -6.534 -13.213   2.745
  319   3HB   ALA  41          3HB       ALA  41  -7.338 -11.644   2.787
  320    H    ARG  42           H        ARG  42  -3.860 -11.514   4.374
  321    HA   ARG  42           HA       ARG  42  -4.032  -8.578   4.744
  322   1HB   ARG  42          2HB       ARG  42  -2.821 -10.810   6.408
  323   2HB   ARG  42          1HB       ARG  42  -3.056  -9.146   6.944
  324   1HG   ARG  42          2HG       ARG  42  -5.511 -10.248   5.846
  325   2HG   ARG  42          1HG       ARG  42  -4.902 -11.243   7.169
  326   1HD   ARG  42          2HD       ARG  42  -4.923  -8.261   7.525
  327   2HD   ARG  42          1HD       ARG  42  -6.445  -9.157   7.704
  328    HE   ARG  42           HE       ARG  42  -3.970  -9.918   9.213
  329   1HH1  ARG  42          1HH1      ARG  42  -6.676  -8.162   9.787
  330   2HH1  ARG  42          2HH1      ARG  42  -7.340  -9.184  11.018
  331   1HH2  ARG  42          1HH2      ARG  42  -5.111 -11.776  10.437
  332   2HH2  ARG  42          2HH2      ARG  42  -6.454 -11.230  11.386
  333    H    CYS  43           H        CYS  43  -2.234 -10.245   2.736
  334    HA   CYS  43           HA       CYS  43  -0.121  -9.857   1.747
  335   1HB   CYS  43          2HB       CYS  43   0.085  -7.567   3.716
  336   2HB   CYS  43          1HB       CYS  43   0.787  -7.677   2.104
  337    H    GLU  44           H        GLU  44  -0.318 -11.692   3.979
  338    HA   GLU  44           HA       GLU  44   2.098 -11.165   5.625
  339   1HB   GLU  44          2HB       GLU  44  -0.175 -12.015   6.461
  340   2HB   GLU  44          1HB       GLU  44   0.228 -13.543   5.680
  341   1HG   GLU  44          2HG       GLU  44   1.682 -14.110   7.315
  342   2HG   GLU  44          1HG       GLU  44   2.426 -12.510   7.309
  343    H    ARG  45           H        ARG  45   1.071 -13.075   2.880
  344    HA   ARG  45           HA       ARG  45   3.494 -14.803   3.080
  345   1HB   ARG  45          2HB       ARG  45   0.784 -15.020   2.105
  346   2HB   ARG  45          1HB       ARG  45   1.914 -15.407   0.807
  347   1HG   ARG  45          2HG       ARG  45   3.085 -16.749   2.846
  348   2HG   ARG  45          1HG       ARG  45   1.400 -16.839   3.358
  349   1HD   ARG  45          2HD       ARG  45   0.774 -17.772   1.151
  350   2HD   ARG  45          1HD       ARG  45   2.474 -17.702   0.647
  351    HE   ARG  45           HE       ARG  45   1.915 -19.135   3.174
  352   1HH1  ARG  45          1HH2      ARG  45   4.316 -19.284   1.186
  353   2HH1  ARG  45          2HH2      ARG  45   4.090 -20.886   0.568
  354   1HH2  ARG  45          1HH1      ARG  45   0.853 -21.180   1.779
  355   2HH2  ARG  45          2HH1      ARG  45   2.129 -21.960   0.904
  356    H    VAL  46           H        VAL  46   4.801 -15.067   1.067
  357    HA   VAL  46           HA       VAL  46   4.729 -12.655  -0.712
  358    HB   VAL  46           HB       VAL  46   6.419 -12.363   1.029
  359   1HG1  VAL  46          1HG1      VAL  46   7.413 -15.075   0.102
  360   2HG1  VAL  46          2HG1      VAL  46   6.701 -14.704   1.672
  361   3HG1  VAL  46          3HG1      VAL  46   8.269 -14.025   1.232
  362   1HG2  VAL  46          1HG2      VAL  46   7.201 -11.459  -0.999
  363   2HG2  VAL  46          2HG2      VAL  46   7.378 -13.047  -1.747
  364   3HG2  VAL  46          3HG2      VAL  46   8.522 -12.522  -0.512
  365    H    ASP  47           H        ASP  47   5.505 -13.057  -2.861
  366    HA   ASP  47           HA       ASP  47   5.383 -15.907  -3.675
  367   1HB   ASP  47          2HB       ASP  47   4.112 -13.927  -4.716
  368   2HB   ASP  47          1HB       ASP  47   5.662 -13.437  -5.401
  369    H    LEU  48           H        LEU  48   7.779 -14.898  -2.247
  370    HA   LEU  48           HA       LEU  48   9.799 -15.515  -4.366
  371   1HB   LEU  48          2HB       LEU  48   9.519 -13.136  -2.571
  372   2HB   LEU  48          1HB       LEU  48  11.148 -13.707  -2.934
  373    HG   LEU  48           HG       LEU  48   9.304 -13.498  -5.249
  374   1HD1  LEU  48          1HD1      LEU  48   8.871 -11.444  -3.792
  375   2HD1  LEU  48          2HD1      LEU  48   9.433 -11.117  -5.430
  376   3HD1  LEU  48          3HD1      LEU  48  10.556 -11.006  -4.074
  377   1HD2  LEU  48          1HD2      LEU  48  11.602 -14.165  -5.598
  378   2HD2  LEU  48          2HD2      LEU  48  12.194 -12.790  -4.667
  379   3HD2  LEU  48          3HD2      LEU  48  11.423 -12.529  -6.232
  380    H    PHE  49           H        PHE  49  11.946 -16.115  -3.305
  381    HA   PHE  49           HA       PHE  49  11.426 -17.914  -1.015
  382   1HB   PHE  49          2HB       PHE  49  12.996 -17.920  -3.343
  383   2HB   PHE  49          1HB       PHE  49  14.154 -17.773  -2.022
  384    HD1  PHE  49           HD1      PHE  49  13.524 -19.327   0.103
  385    HD2  PHE  49           HD2      PHE  49  12.397 -20.076  -3.973
  386    HE1  PHE  49           HE1      PHE  49  13.237 -21.735   0.625
  387    HE2  PHE  49           HE2      PHE  49  12.111 -22.484  -3.452
  388    HZ   PHE  49           HZ       PHE  49  12.531 -23.313  -1.153
  389    H    TYR  50           H        TYR  50  14.068 -15.619  -1.808
  390    HA   TYR  50           HA       TYR  50  14.670 -15.267   1.054
  391   1HB   TYR  50          2HB       TYR  50  16.165 -15.357  -1.178
  392   2HB   TYR  50          1HB       TYR  50  15.900 -13.614  -1.108
  393    HD1  TYR  50           HD1      TYR  50  16.309 -12.467   1.203
  394    HD2  TYR  50           HD2      TYR  50  17.855 -16.327   0.126
  395    HE1  TYR  50           HE1      TYR  50  18.029 -12.273   2.978
  396    HE2  TYR  50           HE2      TYR  50  19.576 -16.132   1.901
  397    HH   TYR  50           HH       TYR  50  20.139 -13.161   3.595
  Start of MODEL   13
    1   1H    ARG   1          H1        ARG   1   3.549   9.594  -9.372
    2   2H    ARG   1          H2        ARG   1   2.841  10.118 -10.826
    3   3H    ARG   1          H3        ARG   1   2.041  10.371  -9.349
    4    HA   ARG   1           HA       ARG   1   3.962  11.809  -8.653
    5   1HB   ARG   1          2HB       ARG   1   5.312  10.582 -10.509
    6   2HB   ARG   1          1HB       ARG   1   4.575  11.748 -11.609
    7   1HG   ARG   1          2HG       ARG   1   5.490  13.606 -10.320
    8   2HG   ARG   1          1HG       ARG   1   6.144  12.488  -9.122
    9   1HD   ARG   1          2HD       ARG   1   6.999  12.802 -12.015
   10   2HD   ARG   1          1HD       ARG   1   7.991  12.996 -10.556
   11    HE   ARG   1           HE       ARG   1   7.381  10.488 -10.158
   12   1HH1  ARG   1          1HH1      ARG   1   9.766  10.708 -11.826
   13   2HH1  ARG   1          2HH1      ARG   1   9.338   9.843 -13.265
   14   1HH2  ARG   1          1HH2      ARG   1   5.932   9.928 -12.620
   15   2HH2  ARG   1          2HH2      ARG   1   7.168   9.401 -13.714
   16    H    LYS   2           H        LYS   2   1.847  11.618 -11.481
   17    HA   LYS   2           HA       LYS   2   1.482  14.457 -11.843
   18   1HB   LYS   2          2HB       LYS   2   0.283  11.889 -12.731
   19   2HB   LYS   2          1HB       LYS   2  -0.764  13.304 -12.849
   20   1HG   LYS   2          2HG       LYS   2   2.068  13.396 -13.876
   21   2HG   LYS   2          1HG       LYS   2   0.766  12.747 -14.874
   22   1HD   LYS   2          2HD       LYS   2   0.014  15.266 -13.610
   23   2HD   LYS   2          1HD       LYS   2   1.450  15.439 -14.622
   24   1HE   LYS   2          2HE       LYS   2  -0.218  15.728 -16.227
   25   2HE   LYS   2          1HE       LYS   2  -0.025  13.966 -16.310
   26   1HZ   LYS   2          1HZ       LYS   2  -1.680  13.965 -14.364
   27   2HZ   LYS   2          2HZ       LYS   2  -2.285  14.217 -15.931
   28   3HZ   LYS   2          3HZ       LYS   2  -2.075  15.533 -14.878
   29    H    GLY   3           H        GLY   3  -1.022  12.151 -10.742
   30   1HA   GLY   3          2HA       GLY   3  -2.769  13.969  -9.578
   31   2HA   GLY   3          1HA       GLY   3  -2.557  12.330  -8.959
   32    H    HIS   4           H        HIS   4   0.286  12.790  -8.294
   33    HA   HIS   4           HA       HIS   4   1.567  13.578  -6.471
   34   1HB   HIS   4          2HB       HIS   4   0.747  15.728  -7.623
   35   2HB   HIS   4          1HB       HIS   4  -0.476  15.805  -6.354
   36    HD1  HIS   4           HD1      HIS   4   2.880  16.885  -7.062
   37    HD2  HIS   4           HD2      HIS   4   0.871  15.644  -3.626
   38    HE1  HIS   4           HE1      HIS   4   4.250  17.704  -5.096
   39    H    PHE   5           H        PHE   5   0.525  11.624  -5.366
   40    HA   PHE   5           HA       PHE   5  -1.450  12.448  -3.268
   41   1HB   PHE   5          2HB       PHE   5  -0.645   9.697  -4.271
   42   2HB   PHE   5          1HB       PHE   5  -2.001  10.067  -3.206
   43    HD1  PHE   5           HD1      PHE   5  -3.651  11.945  -4.155
   44    HD2  PHE   5           HD2      PHE   5  -1.080   9.474  -6.549
   45    HE1  PHE   5           HE1      PHE   5  -5.096  12.353  -6.129
   46    HE2  PHE   5           HE2      PHE   5  -2.524   9.883  -8.524
   47    HZ   PHE   5           HZ       PHE   5  -4.533  11.323  -8.313
   48    H    SER   6           H        SER   6  -0.831  10.107  -1.641
   49    HA   SER   6           HA       SER   6   2.004  10.476  -0.833
   50   1HB   SER   6          2HB       SER   6  -0.301  11.741   0.385
   51   2HB   SER   6          1HB       SER   6   0.490  10.673   1.541
   52    HG   SER   6           HG       SER   6   2.483  11.790   0.537
   53    H    ARG   7           H        ARG   7   2.811   8.601   0.111
   54    HA   ARG   7           HA       ARG   7   1.121   6.210   0.069
   55   1HB   ARG   7          2HB       ARG   7   3.194   5.083   0.380
   56   2HB   ARG   7          1HB       ARG   7   3.606   6.506  -0.577
   57   1HG   ARG   7          2HG       ARG   7   3.794   7.449   2.016
   58   2HG   ARG   7          1HG       ARG   7   4.405   5.801   2.159
   59   1HD   ARG   7          2HD       ARG   7   6.379   6.725   1.447
   60   2HD   ARG   7          1HD       ARG   7   5.630   6.648  -0.161
   61    HE   ARG   7           HE       ARG   7   4.667   8.981   0.475
   62   1HH1  ARG   7          1HH2      ARG   7   7.513   8.971  -0.551
   63   2HH1  ARG   7          2HH2      ARG   7   8.314   9.942   0.638
   64   1HH2  ARG   7          1HH1      ARG   7   5.750   9.687   2.958
   65   2HH2  ARG   7          2HH1      ARG   7   7.317  10.347   2.625
   66    H    CYS   8           H        CYS   8   0.896   4.792   1.987
   67    HA   CYS   8           HA       CYS   8   0.286   6.352   4.415
   68   1HB   CYS   8          2HB       CYS   8  -0.659   4.041   3.075
   69   2HB   CYS   8          1HB       CYS   8  -0.050   3.491   4.636
   70    HA   PRO   9           HA       PRO   9   4.092   5.282   6.379
   71   1HB   PRO   9          2HB       PRO   9   3.358   5.828   8.960
   72   2HB   PRO   9          1HB       PRO   9   3.713   7.094   7.767
   73   1HG   PRO   9          2HG       PRO   9   1.086   6.073   8.717
   74   2HG   PRO   9          1HG       PRO   9   1.578   7.725   8.314
   75   1HD   PRO   9          2HD       PRO   9   0.099   6.133   6.655
   76   2HD   PRO   9          1HD       PRO   9   1.154   7.445   6.086
   77    H    LYS  10           H        LYS  10   4.933   3.597   7.806
   78    HA   LYS  10           HA       LYS  10   3.602   1.099   7.711
   79   1HB   LYS  10          2HB       LYS  10   6.064   1.690   8.085
   80   2HB   LYS  10          1HB       LYS  10   5.638   1.976   9.774
   81   1HG   LYS  10          2HG       LYS  10   6.145  -0.247   9.977
   82   2HG   LYS  10          1HG       LYS  10   4.484  -0.446   9.418
   83   1HD   LYS  10          2HD       LYS  10   5.222  -0.734   7.130
   84   2HD   LYS  10          1HD       LYS  10   6.882  -0.333   7.569
   85   1HE   LYS  10          2HE       LYS  10   6.714  -2.346   9.212
   86   2HE   LYS  10          1HE       LYS  10   5.318  -2.829   8.226
   87   1HZ   LYS  10          1HZ       LYS  10   7.679  -3.573   7.506
   88   2HZ   LYS  10          2HZ       LYS  10   7.820  -1.984   6.920
   89   3HZ   LYS  10          3HZ       LYS  10   6.596  -3.005   6.332
   90    H    GLN  11           H        GLN  11   3.489   3.664  10.135
   91    HA   GLN  11           HA       GLN  11   2.345   2.193  12.298
   92   1HB   GLN  11          2HB       GLN  11   2.192   5.075  11.376
   93   2HB   GLN  11          1HB       GLN  11   1.527   4.532  12.917
   94   1HG   GLN  11          2HG       GLN  11   3.594   4.889  13.764
   95   2HG   GLN  11          1HG       GLN  11   4.070   3.425  12.904
   96   1HE2  GLN  11          1HE2      GLN  11   3.662   6.958  12.277
   97   2HE2  GLN  11          2HE2      GLN  11   4.978   7.067  11.210
   98    H    TYR  12           H        TYR  12   0.878   3.735   9.456
   99    HA   TYR  12           HA       TYR  12  -1.847   2.998  10.395
  100   1HB   TYR  12          2HB       TYR  12  -0.574   4.925   8.592
  101   2HB   TYR  12          1HB       TYR  12  -1.996   4.168   7.876
  102    HD1  TYR  12           HD1      TYR  12  -1.050   6.961   9.603
  103    HD2  TYR  12           HD2      TYR  12  -3.917   3.774   9.875
  104    HE1  TYR  12           HE1      TYR  12  -2.518   8.401  10.991
  105    HE2  TYR  12           HE2      TYR  12  -5.385   5.214  11.263
  106    HH   TYR  12           HH       TYR  12  -4.544   8.604  11.919
  107    H    LYS  13           H        LYS  13   0.627   1.479   8.779
  108    HA   LYS  13           HA       LYS  13  -1.018   0.198   6.684
  109   1HB   LYS  13          2HB       LYS  13   1.662   0.856   7.053
  110   2HB   LYS  13          1HB       LYS  13   1.637  -0.898   7.246
  111   1HG   LYS  13          2HG       LYS  13   1.427  -1.157   5.023
  112   2HG   LYS  13          1HG       LYS  13  -0.059  -0.205   5.043
  113   1HD   LYS  13          2HD       LYS  13   1.736   0.743   3.552
  114   2HD   LYS  13          1HD       LYS  13   1.181   1.858   4.801
  115   1HE   LYS  13          2HE       LYS  13   3.315   2.042   5.535
  116   2HE   LYS  13          1HE       LYS  13   3.307   0.309   5.922
  117   1HZ   LYS  13          1HZ       LYS  13   4.929   0.408   4.308
  118   2HZ   LYS  13          2HZ       LYS  13   4.157   1.650   3.443
  119   3HZ   LYS  13          3HZ       LYS  13   3.560   0.061   3.368
  120    H    HIS  14           H        HIS  14  -2.100  -0.358   9.211
  121    HA   HIS  14           HA       HIS  14  -1.058  -2.956  10.144
  122   1HB   HIS  14          2HB       HIS  14  -2.998  -0.875  10.961
  123   2HB   HIS  14          1HB       HIS  14  -3.455  -2.521  11.394
  124    HD1  HIS  14           HD1      HIS  14  -0.056  -0.777  11.380
  125    HD2  HIS  14           HD2      HIS  14  -2.540  -2.904  13.967
  126    HE1  HIS  14           HE1      HIS  14   1.216  -1.019  13.557
  127    H    TYR  15           H        TYR  15  -3.226  -1.795   7.783
  128    HA   TYR  15           HA       TYR  15  -4.897  -4.239   7.749
  129   1HB   TYR  15          2HB       TYR  15  -5.907  -2.973   5.767
  130   2HB   TYR  15          1HB       TYR  15  -6.017  -2.153   7.323
  131    HD1  TYR  15           HD1      TYR  15  -5.302   0.058   7.480
  132    HD2  TYR  15           HD2      TYR  15  -3.702  -2.450   4.380
  133    HE1  TYR  15           HE1      TYR  15  -4.056   1.994   6.557
  134    HE2  TYR  15           HE2      TYR  15  -2.456  -0.513   3.458
  135    HH   TYR  15           HH       TYR  15  -2.141   2.453   5.174
  136    H    CYS  16           H        CYS  16  -1.839  -3.416   6.706
  137    HA   CYS  16           HA       CYS  16  -1.776  -5.650   4.788
  138   1HB   CYS  16          2HB       CYS  16  -1.767  -2.756   4.040
  139   2HB   CYS  16          1HB       CYS  16  -0.701  -3.831   3.138
  140    H    ILE  17           H        ILE  17   0.138  -6.657   5.276
  141    HA   ILE  17           HA       ILE  17   2.244  -5.286   6.763
  142    HB   ILE  17           HB       ILE  17   1.866  -8.026   5.540
  143   1HG1  ILE  17          2HG1      ILE  17   0.539  -7.409   7.560
  144   2HG1  ILE  17          1HG1      ILE  17   1.685  -8.710   7.885
  145   1HG2  ILE  17          1HG2      ILE  17   3.965  -8.181   7.369
  146   2HG2  ILE  17          2HG2      ILE  17   4.318  -6.724   6.440
  147   3HG2  ILE  17          3HG2      ILE  17   4.112  -8.269   5.614
  148   1HD1  ILE  17          1HD1      ILE  17   3.141  -6.369   8.357
  149   2HD1  ILE  17          2HD1      ILE  17   2.476  -7.450   9.580
  150   3HD1  ILE  17          3HD1      ILE  17   1.552  -6.046   9.049
  151    H    LYS  18           H        LYS  18   2.764  -7.305   3.865
  152    HA   LYS  18           HA       LYS  18   4.836  -5.394   2.958
  153   1HB   LYS  18          2HB       LYS  18   5.412  -7.218   1.436
  154   2HB   LYS  18          1HB       LYS  18   5.163  -7.870   3.055
  155   1HG   LYS  18          2HG       LYS  18   2.761  -8.353   2.357
  156   2HG   LYS  18          1HG       LYS  18   3.253  -7.968   0.711
  157   1HD   LYS  18          2HD       LYS  18   3.336 -10.432   1.321
  158   2HD   LYS  18          1HD       LYS  18   4.831  -9.768   0.667
  159   1HE   LYS  18          2HE       LYS  18   4.596  -9.544   3.607
  160   2HE   LYS  18          1HE       LYS  18   4.703 -11.206   2.995
  161   1HZ   LYS  18          1HZ       LYS  18   6.910 -10.602   3.050
  162   2HZ   LYS  18          2HZ       LYS  18   6.601  -8.981   2.650
  163   3HZ   LYS  18          3HZ       LYS  18   6.506 -10.187   1.457
  164    H    GLY  19           H        GLY  19   2.444  -4.105   2.736
  165   1HA   GLY  19          2HA       GLY  19   2.058  -4.017  -0.209
  166   2HA   GLY  19          1HA       GLY  19   0.629  -4.183   0.813
  167    H    ARG  20           H        ARG  20   1.831  -1.922  -0.955
  168    HA   ARG  20           HA       ARG  20   2.022   0.244   1.081
  169   1HB   ARG  20          2HB       ARG  20   2.304   0.406  -1.931
  170   2HB   ARG  20          1HB       ARG  20   2.965   1.508  -0.723
  171   1HG   ARG  20          2HG       ARG  20   4.013  -0.922   0.059
  172   2HG   ARG  20          1HG       ARG  20   4.033  -1.047  -1.701
  173   1HD   ARG  20          2HD       ARG  20   4.928   1.562  -1.180
  174   2HD   ARG  20          1HD       ARG  20   5.746   0.547   0.025
  175    HE   ARG  20           HE       ARG  20   6.680  -0.781  -1.782
  176   1HH1  ARG  20          1HH2      ARG  20   6.522   2.338  -2.585
  177   2HH1  ARG  20          2HH2      ARG  20   6.303   2.139  -4.291
  178   1HH2  ARG  20          1HH1      ARG  20   5.625  -1.255  -4.075
  179   2HH2  ARG  20          2HH1      ARG  20   5.796   0.104  -5.135
  180    H    CYS  21           H        CYS  21   0.339   1.692   1.372
  181    HA   CYS  21           HA       CYS  21  -2.025   1.420  -0.456
  182   1HB   CYS  21          2HB       CYS  21  -2.526   0.638   1.748
  183   2HB   CYS  21          1HB       CYS  21  -1.693   2.002   2.494
  184    H    ARG  22           H        ARG  22  -2.665   3.260  -1.522
  185    HA   ARG  22           HA       ARG  22  -1.219   5.796  -0.963
  186   1HB   ARG  22          2HB       ARG  22  -3.154   5.054  -3.181
  187   2HB   ARG  22          1HB       ARG  22  -2.007   6.394  -3.180
  188   1HG   ARG  22          2HG       ARG  22  -1.097   3.530  -2.881
  189   2HG   ARG  22          1HG       ARG  22  -1.312   4.276  -4.466
  190   1HD   ARG  22          2HD       ARG  22   0.215   5.953  -2.583
  191   2HD   ARG  22          1HD       ARG  22   1.012   4.422  -2.998
  192    HE   ARG  22           HE       ARG  22   0.065   5.322  -5.432
  193   1HH1  ARG  22          1HH1      ARG  22   1.066   7.533  -3.130
  194   2HH1  ARG  22          2HH1      ARG  22   2.370   8.189  -4.062
  195   1HH2  ARG  22          1HH2      ARG  22   2.142   5.790  -6.556
  196   2HH2  ARG  22          2HH2      ARG  22   2.979   7.202  -6.003
  197    H    PHE  23           H        PHE  23  -2.242   7.430   0.141
  198    HA   PHE  23           HA       PHE  23  -5.224   7.259   0.441
  199   1HB   PHE  23          2HB       PHE  23  -3.487   6.924   2.394
  200   2HB   PHE  23          1HB       PHE  23  -3.377   8.683   2.339
  201    HD1  PHE  23           HD1      PHE  23  -5.931   9.739   1.898
  202    HD2  PHE  23           HD2      PHE  23  -4.925   6.162   4.056
  203    HE1  PHE  23           HE1      PHE  23  -8.047   9.916   3.179
  204    HE2  PHE  23           HE2      PHE  23  -7.042   6.340   5.335
  205    HZ   PHE  23           HZ       PHE  23  -8.603   8.216   4.898
  206    H    VAL  24           H        VAL  24  -6.067   8.793  -0.955
  207    HA   VAL  24           HA       VAL  24  -4.603  11.292  -1.513
  208    HB   VAL  24           HB       VAL  24  -7.383  10.417  -2.348
  209   1HG1  VAL  24          1HG1      VAL  24  -6.730  11.803  -4.379
  210   2HG1  VAL  24          2HG1      VAL  24  -5.332  12.352  -3.453
  211   3HG1  VAL  24          3HG1      VAL  24  -6.961  12.719  -2.890
  212   1HG2  VAL  24          1HG2      VAL  24  -5.668   9.874  -4.452
  213   2HG2  VAL  24          2HG2      VAL  24  -6.324   8.671  -3.343
  214   3HG2  VAL  24          3HG2      VAL  24  -4.731   9.365  -3.048
  215    H    VAL  25           H        VAL  25  -4.862  13.084  -0.257
  216    HA   VAL  25           HA       VAL  25  -6.898  13.210   1.835
  217    HB   VAL  25           HB       VAL  25  -4.971  15.327   0.832
  218   1HG1  VAL  25          1HG1      VAL  25  -6.894  15.192   2.970
  219   2HG1  VAL  25          2HG1      VAL  25  -5.833  16.529   2.528
  220   3HG1  VAL  25          3HG1      VAL  25  -5.272  15.294   3.655
  221   1HG2  VAL  25          1HG2      VAL  25  -4.572  12.885   2.549
  222   2HG2  VAL  25          2HG2      VAL  25  -3.587  14.324   2.816
  223   3HG2  VAL  25          3HG2      VAL  25  -3.549  13.507   1.254
  224    H    ALA  26           H        ALA  26  -6.113  15.462  -0.862
  225    HA   ALA  26           HA       ALA  26  -8.278  17.166  -0.818
  226   1HB   ALA  26          1HB       ALA  26  -8.026  16.544  -3.509
  227   2HB   ALA  26          2HB       ALA  26  -6.493  15.989  -2.837
  228   3HB   ALA  26          3HB       ALA  26  -6.990  17.668  -2.630
  229    H    GLU  27           H        GLU  27  -8.247  13.974  -2.410
  230    HA   GLU  27           HA       GLU  27 -11.245  13.962  -2.301
  231   1HB   GLU  27          2HB       GLU  27 -10.088  13.984  -4.552
  232   2HB   GLU  27          1HB       GLU  27  -9.362  12.433  -4.129
  233   1HG   GLU  27          2HG       GLU  27 -11.290  11.827  -5.347
  234   2HG   GLU  27          1HG       GLU  27 -11.790  11.656  -3.665
  235    H    GLN  28           H        GLN  28 -11.446  12.945  -0.254
  236    HA   GLN  28           HA       GLN  28 -10.012  11.048   1.064
  237   1HB   GLN  28          2HB       GLN  28 -12.791  11.816   0.810
  238   2HB   GLN  28          1HB       GLN  28 -12.665  10.090   1.150
  239   1HG   GLN  28          2HG       GLN  28 -11.283  12.279   2.731
  240   2HG   GLN  28          1HG       GLN  28 -12.746  11.432   3.237
  241   1HE2  GLN  28          1HE2      GLN  28 -12.151   8.780   2.554
  242   2HE2  GLN  28          2HE2      GLN  28 -10.800   8.250   3.434
  243    H    THR  29           H        THR  29  -8.806   9.662  -0.362
  244    HA   THR  29           HA       THR  29 -10.433   7.405  -1.476
  245    HB   THR  29           HB       THR  29  -8.114   8.782  -2.861
  246    HG1  THR  29           1HG      THR  29 -10.887   9.161  -2.939
  247   1HG2  THR  29          1HG2      THR  29  -8.420   6.438  -3.496
  248   2HG2  THR  29          2HG2      THR  29  -8.928   7.490  -4.817
  249   3HG2  THR  29          3HG2      THR  29 -10.136   6.725  -3.786
  250    HA   PRO  30           HA       PRO  30  -6.826   5.910   0.973
  251   1HB   PRO  30          2HB       PRO  30  -8.243   4.200   2.564
  252   2HB   PRO  30          1HB       PRO  30  -8.024   5.917   2.954
  253   1HG   PRO  30          2HG       PRO  30 -10.388   4.517   1.850
  254   2HG   PRO  30          1HG       PRO  30 -10.303   5.917   2.926
  255   1HD   PRO  30          2HD       PRO  30 -10.825   6.013   0.202
  256   2HD   PRO  30          1HD       PRO  30 -10.280   7.381   1.196
  257    H    SER  31           H        SER  31  -6.432   4.910  -1.234
  258    HA   SER  31           HA       SER  31  -7.698   2.280  -1.721
  259   1HB   SER  31          2HB       SER  31  -6.363   2.450  -3.819
  260   2HB   SER  31          1HB       SER  31  -7.338   3.890  -3.543
  261    HG   SER  31           HG       SER  31  -5.547   4.968  -3.527
  262    H    CYS  32           H        CYS  32  -6.708   0.354  -1.195
  263    HA   CYS  32           HA       CYS  32  -3.934   0.488  -0.084
  264   1HB   CYS  32          2HB       CYS  32  -4.604  -1.527   1.129
  265   2HB   CYS  32          1HB       CYS  32  -5.844  -0.292   1.337
  266    H    VAL  33           H        VAL  33  -2.323  -0.463  -1.257
  267    HA   VAL  33           HA       VAL  33  -3.079  -2.518  -3.308
  268    HB   VAL  33           HB       VAL  33  -0.981  -0.329  -3.480
  269   1HG1  VAL  33          1HG1      VAL  33  -0.630  -2.518  -4.765
  270   2HG1  VAL  33          2HG1      VAL  33  -0.645  -1.043  -5.732
  271   3HG1  VAL  33          3HG1      VAL  33  -2.066  -2.085  -5.691
  272   1HG2  VAL  33          1HG2      VAL  33  -2.525   0.697  -5.119
  273   2HG2  VAL  33          2HG2      VAL  33  -3.282   0.569  -3.531
  274   3HG2  VAL  33          3HG2      VAL  33  -3.703  -0.577  -4.804
  275    H    CYS  34           H        CYS  34  -2.068  -4.432  -2.858
  276    HA   CYS  34           HA       CYS  34   0.213  -4.499  -0.979
  277   1HB   CYS  34          2HB       CYS  34  -1.163  -6.769  -2.442
  278   2HB   CYS  34          1HB       CYS  34  -0.273  -6.853  -0.921
  279    H    ASP  35           H        ASP  35   2.207  -5.681  -1.557
  280    HA   ASP  35           HA       ASP  35   3.456  -4.870  -3.945
  281   1HB   ASP  35          2HB       ASP  35   3.853  -7.046  -1.915
  282   2HB   ASP  35          1HB       ASP  35   4.887  -7.018  -3.343
  283    H    GLU  36           H        GLU  36   2.988  -5.454  -6.033
  284    HA   GLU  36           HA       GLU  36   1.134  -7.301  -6.942
  285   1HB   GLU  36          2HB       GLU  36   2.415  -5.599  -8.257
  286   2HB   GLU  36          1HB       GLU  36   3.818  -6.666  -8.207
  287   1HG   GLU  36          2HG       GLU  36   1.229  -7.806  -9.172
  288   2HG   GLU  36          1HG       GLU  36   2.116  -6.731 -10.255
  289    H    GLY  37           H        GLY  37   4.563  -7.942  -6.188
  290   1HA   GLY  37          2HA       GLY  37   4.203 -10.806  -6.818
  291   2HA   GLY  37          1HA       GLY  37   5.719 -10.033  -6.354
  292    H    TYR  38           H        TYR  38   2.540 -10.024  -4.727
  293    HA   TYR  38           HA       TYR  38   3.903 -11.242  -2.350
  294   1HB   TYR  38          2HB       TYR  38   2.980  -9.592  -1.029
  295   2HB   TYR  38          1HB       TYR  38   3.051  -8.698  -2.542
  296    HD1  TYR  38           HD1      TYR  38   1.005  -9.292   0.139
  297    HD2  TYR  38           HD2      TYR  38   0.878  -9.431  -4.152
  298    HE1  TYR  38           HE1      TYR  38  -1.460  -9.021   0.199
  299    HE2  TYR  38           HE2      TYR  38  -1.583  -9.155  -4.090
  300    HH   TYR  38           HH       TYR  38  -3.388  -9.430  -1.167
  301    H    ILE  39           H        ILE  39   2.222 -12.285  -0.831
  302    HA   ILE  39           HA       ILE  39  -0.183 -13.330  -2.229
  303    HB   ILE  39           HB       ILE  39   2.215 -14.918  -1.292
  304   1HG1  ILE  39          2HG1      ILE  39   0.626 -14.996  -3.876
  305   2HG1  ILE  39          1HG1      ILE  39   2.091 -14.038  -3.653
  306   1HG2  ILE  39          1HG2      ILE  39  -0.523 -15.994  -2.031
  307   2HG2  ILE  39          2HG2      ILE  39   0.113 -15.917  -0.387
  308   3HG2  ILE  39          3HG2      ILE  39   0.892 -16.948  -1.588
  309   1HD1  ILE  39          1HD1      ILE  39   1.899 -17.046  -3.314
  310   2HD1  ILE  39          2HD1      ILE  39   3.361 -16.078  -3.120
  311   3HD1  ILE  39          3HD1      ILE  39   2.599 -16.219  -4.706
  312    H    GLY  40           H        GLY  40  -1.632 -14.468  -0.691
  313   1HA   GLY  40          2HA       GLY  40  -2.105 -15.152   1.636
  314   2HA   GLY  40          1HA       GLY  40  -1.020 -13.869   2.173
  315    H    ALA  41           H        ALA  41  -3.402 -13.751   3.349
  316    HA   ALA  41           HA       ALA  41  -5.284 -12.101   1.779
  317   1HB   ALA  41          1HB       ALA  41  -5.658 -13.985   3.616
  318   2HB   ALA  41          2HB       ALA  41  -6.765 -12.618   3.498
  319   3HB   ALA  41          3HB       ALA  41  -5.497 -12.623   4.723
  320    H    ARG  42           H        ARG  42  -3.223 -11.739   4.684
  321    HA   ARG  42           HA       ARG  42  -3.725  -8.800   4.641
  322   1HB   ARG  42          2HB       ARG  42  -3.454 -10.802   6.617
  323   2HB   ARG  42          1HB       ARG  42  -2.024  -9.781   6.766
  324   1HG   ARG  42          2HG       ARG  42  -3.446  -7.779   6.881
  325   2HG   ARG  42          1HG       ARG  42  -4.886  -8.783   6.702
  326   1HD   ARG  42          2HD       ARG  42  -2.946  -9.401   8.917
  327   2HD   ARG  42          1HD       ARG  42  -4.117  -8.084   9.122
  328    HE   ARG  42           HE       ARG  42  -4.766 -10.931   8.970
  329   1HH1  ARG  42          1HH2      ARG  42  -6.200  -8.840  10.625
  330   2HH1  ARG  42          2HH2      ARG  42  -7.710  -8.711   9.788
  331   1HH2  ARG  42          1HH1      ARG  42  -6.554 -10.282   6.920
  332   2HH2  ARG  42          2HH1      ARG  42  -7.911  -9.528   7.688
  333    H    CYS  43           H        CYS  43  -1.895 -10.341   2.731
  334    HA   CYS  43           HA       CYS  43   0.189  -9.902   1.702
  335   1HB   CYS  43          2HB       CYS  43   0.363  -7.601   3.663
  336   2HB   CYS  43          1HB       CYS  43   1.046  -7.693   2.041
  337    H    GLU  44           H        GLU  44   0.269 -11.873   3.635
  338    HA   GLU  44           HA       GLU  44   2.594 -11.226   5.395
  339   1HB   GLU  44          2HB       GLU  44   0.188 -12.461   5.851
  340   2HB   GLU  44          1HB       GLU  44   1.243 -13.847   5.574
  341   1HG   GLU  44          2HG       GLU  44   1.786 -13.602   7.768
  342   2HG   GLU  44          1HG       GLU  44   2.810 -12.285   7.194
  343    H    ARG  45           H        ARG  45   1.537 -13.437   2.822
  344    HA   ARG  45           HA       ARG  45   4.120 -14.879   2.875
  345   1HB   ARG  45          2HB       ARG  45   1.668 -15.080   1.096
  346   2HB   ARG  45          1HB       ARG  45   2.995 -16.242   1.145
  347   1HG   ARG  45          2HG       ARG  45   2.019 -15.740   3.819
  348   2HG   ARG  45          1HG       ARG  45   0.688 -16.229   2.770
  349   1HD   ARG  45          2HD       ARG  45   1.401 -18.371   2.953
  350   2HD   ARG  45          1HD       ARG  45   2.903 -17.906   2.129
  351    HE   ARG  45           HE       ARG  45   3.432 -17.009   4.618
  352   1HH1  ARG  45          1HH1      ARG  45   2.867 -20.038   3.203
  353   2HH1  ARG  45          2HH1      ARG  45   3.030 -20.935   4.676
  354   1HH2  ARG  45          1HH2      ARG  45   3.266 -18.115   6.679
  355   2HH2  ARG  45          2HH2      ARG  45   3.255 -19.847   6.643
  356    H    VAL  46           H        VAL  46   5.343 -15.101   0.788
  357    HA   VAL  46           HA       VAL  46   5.268 -12.546  -0.786
  358    HB   VAL  46           HB       VAL  46   7.219 -12.988   0.756
  359   1HG1  VAL  46          1HG1      VAL  46   7.038 -15.549  -0.460
  360   2HG1  VAL  46          2HG1      VAL  46   8.203 -15.012   0.751
  361   3HG1  VAL  46          3HG1      VAL  46   8.577 -14.850  -0.964
  362   1HG2  VAL  46          1HG2      VAL  46   7.210 -11.810  -1.656
  363   2HG2  VAL  46          2HG2      VAL  46   8.317 -13.134  -2.016
  364   3HG2  VAL  46          3HG2      VAL  46   8.693 -12.000  -0.720
  365    H    ASP  47           H        ASP  47   5.971 -12.802  -3.077
  366    HA   ASP  47           HA       ASP  47   5.185 -15.483  -4.161
  367   1HB   ASP  47          2HB       ASP  47   3.828 -13.374  -4.628
  368   2HB   ASP  47          1HB       ASP  47   5.210 -12.794  -5.558
  369    H    LEU  48           H        LEU  48   7.066 -12.739  -5.495
  370    HA   LEU  48           HA       LEU  48   9.513 -14.363  -5.653
  371   1HB   LEU  48          2HB       LEU  48   9.522 -14.417  -8.103
  372   2HB   LEU  48          1HB       LEU  48   8.040 -15.165  -7.508
  373    HG   LEU  48           HG       LEU  48   7.973 -12.229  -8.037
  374   1HD1  LEU  48          1HD1      LEU  48   8.723 -12.499 -10.157
  375   2HD1  LEU  48          2HD1      LEU  48   7.195 -13.326 -10.455
  376   3HD1  LEU  48          3HD1      LEU  48   8.637 -14.258 -10.050
  377   1HD2  LEU  48          1HD2      LEU  48   5.700 -13.064  -8.982
  378   2HD2  LEU  48          2HD2      LEU  48   5.944 -13.134  -7.238
  379   3HD2  LEU  48          3HD2      LEU  48   6.110 -14.596  -8.210
  380    H    PHE  49           H        PHE  49   9.218 -11.958  -4.346
  381    HA   PHE  49           HA       PHE  49   9.529  -9.533  -5.698
  382   1HB   PHE  49          2HB       PHE  49   9.722 -10.491  -3.125
  383   2HB   PHE  49          1HB       PHE  49  11.378  -9.969  -3.440
  384    HD1  PHE  49           HD1      PHE  49   8.713  -8.832  -1.809
  385    HD2  PHE  49           HD2      PHE  49  11.059  -7.685  -5.220
  386    HE1  PHE  49           HE1      PHE  49   8.031  -6.470  -1.484
  387    HE2  PHE  49           HE2      PHE  49  10.377  -5.323  -4.895
  388    HZ   PHE  49           HZ       PHE  49   8.863  -4.716  -3.026
  389    H    TYR  50           H        TYR  50  12.026 -11.989  -5.017
  390    HA   TYR  50           HA       TYR  50  14.086 -10.409  -6.428
  391   1HB   TYR  50          2HB       TYR  50  14.133 -13.191  -5.216
  392   2HB   TYR  50          1HB       TYR  50  15.539 -12.221  -5.652
  393    HD1  TYR  50           HD1      TYR  50  15.506  -9.746  -4.607
  394    HD2  TYR  50           HD2      TYR  50  13.450 -13.153  -2.991
  395    HE1  TYR  50           HE1      TYR  50  15.444  -8.653  -2.383
  396    HE2  TYR  50           HE2      TYR  50  13.387 -12.060  -0.766
  397    HH   TYR  50           HH       TYR  50  14.113 -10.336   0.454
  Start of MODEL   14
    1   1H    ARG   1          H1        ARG   1   8.178  18.691  -3.223
    2   2H    ARG   1          H2        ARG   1   8.011  20.079  -4.190
    3   3H    ARG   1          H3        ARG   1   8.000  18.536  -4.903
    4    HA   ARG   1           HA       ARG   1   5.972  19.034  -2.859
    5   1HB   ARG   1          2HB       ARG   1   6.262  21.143  -4.238
    6   2HB   ARG   1          1HB       ARG   1   5.833  20.190  -5.660
    7   1HG   ARG   1          2HG       ARG   1   3.646  20.375  -5.173
    8   2HG   ARG   1          1HG       ARG   1   3.917  19.696  -3.567
    9   1HD   ARG   1          2HD       ARG   1   2.954  21.976  -3.405
   10   2HD   ARG   1          1HD       ARG   1   4.605  21.955  -2.754
   11    HE   ARG   1           HE       ARG   1   3.967  22.842  -5.545
   12   1HH1  ARG   1          1HH1      ARG   1   4.998  23.843  -2.511
   13   2HH1  ARG   1          2HH1      ARG   1   6.387  24.710  -3.075
   14   1HH2  ARG   1          1HH2      ARG   1   6.103  23.574  -6.338
   15   2HH2  ARG   1          2HH2      ARG   1   7.013  24.558  -5.241
   16    H    LYS   2           H        LYS   2   6.633  18.177  -6.281
   17    HA   LYS   2           HA       LYS   2   5.891  16.333  -7.559
   18   1HB   LYS   2          2HB       LYS   2   6.940  15.482  -5.173
   19   2HB   LYS   2          1HB       LYS   2   5.339  14.742  -5.129
   20   1HG   LYS   2          2HG       LYS   2   6.211  13.115  -6.435
   21   2HG   LYS   2          1HG       LYS   2   6.174  14.301  -7.741
   22   1HD   LYS   2          2HD       LYS   2   8.441  14.922  -7.385
   23   2HD   LYS   2          1HD       LYS   2   8.495  14.118  -5.815
   24   1HE   LYS   2          2HE       LYS   2   9.619  12.858  -7.751
   25   2HE   LYS   2          1HE       LYS   2   8.403  11.933  -6.845
   26   1HZ   LYS   2          1HZ       LYS   2   8.303  12.235  -9.482
   27   2HZ   LYS   2          2HZ       LYS   2   7.413  13.604  -9.012
   28   3HZ   LYS   2          3HZ       LYS   2   6.915  12.054  -8.523
   29    H    GLY   3           H        GLY   3   3.958  14.336  -6.643
   30   1HA   GLY   3          2HA       GLY   3   1.525  15.602  -7.402
   31   2HA   GLY   3          1HA       GLY   3   1.633  14.022  -6.624
   32    H    HIS   4           H        HIS   4  -0.465  15.108  -5.681
   33    HA   HIS   4           HA       HIS   4   0.308  16.555  -3.166
   34   1HB   HIS   4          2HB       HIS   4  -2.286  16.758  -4.724
   35   2HB   HIS   4          1HB       HIS   4  -1.752  17.800  -3.404
   36    HD1  HIS   4           HD1      HIS   4  -0.983  16.980  -7.015
   37    HD2  HIS   4           HD2      HIS   4   0.016  19.852  -4.163
   38    HE1  HIS   4           HE1      HIS   4   0.282  18.799  -8.243
   39    H    PHE   5           H        PHE   5   0.262  13.737  -3.234
   40    HA   PHE   5           HA       PHE   5  -2.334  13.062  -1.887
   41   1HB   PHE   5          2HB       PHE   5  -0.283  11.242  -3.188
   42   2HB   PHE   5          1HB       PHE   5  -1.905  10.795  -2.657
   43    HD1  PHE   5           HD1      PHE   5  -3.910  11.814  -3.794
   44    HD2  PHE   5           HD2      PHE   5   0.084  12.286  -5.303
   45    HE1  PHE   5           HE1      PHE   5  -4.823  12.496  -5.995
   46    HE2  PHE   5           HE2      PHE   5  -0.829  12.969  -7.506
   47    HZ   PHE   5           HZ       PHE   5  -3.282  13.074  -7.852
   48    H    SER   6           H        SER   6  -1.216  10.589  -0.812
   49    HA   SER   6           HA       SER   6   0.950  11.475   1.018
   50   1HB   SER   6          2HB       SER   6  -1.821  10.595   1.888
   51   2HB   SER   6          1HB       SER   6  -0.472  10.905   2.977
   52    HG   SER   6           HG       SER   6  -0.428  13.053   2.076
   53    H    ARG   7           H        ARG   7   2.216   9.730   1.655
   54    HA   ARG   7           HA       ARG   7   1.519   7.075   0.531
   55   1HB   ARG   7          2HB       ARG   7   3.878   8.647   1.132
   56   2HB   ARG   7          1HB       ARG   7   4.011   7.046   1.859
   57   1HG   ARG   7          2HG       ARG   7   4.052   5.975  -0.167
   58   2HG   ARG   7          1HG       ARG   7   2.979   7.150  -0.928
   59   1HD   ARG   7          2HD       ARG   7   5.878   7.708  -0.202
   60   2HD   ARG   7          1HD       ARG   7   5.307   7.293  -1.830
   61    HE   ARG   7           HE       ARG   7   3.711   9.325  -1.484
   62   1HH1  ARG   7          1HH2      ARG   7   7.063   9.109  -1.060
   63   2HH1  ARG   7          2HH2      ARG   7   7.264  10.745  -0.526
   64   1HH2  ARG   7          1HH1      ARG   7   3.862  11.395  -0.377
   65   2HH2  ARG   7          2HH1      ARG   7   5.452  12.038  -0.138
   66    H    CYS   8           H        CYS   8   1.335   5.203   1.850
   67    HA   CYS   8           HA       CYS   8   0.564   5.720   4.659
   68   1HB   CYS   8          2HB       CYS   8   0.413   3.402   2.724
   69   2HB   CYS   8          1HB       CYS   8  -0.032   3.221   4.421
   70    HA   PRO   9           HA       PRO   9   4.760   4.442   5.700
   71   1HB   PRO   9          2HB       PRO   9   4.629   5.304   8.293
   72   2HB   PRO   9          1HB       PRO   9   4.953   6.392   6.930
   73   1HG   PRO   9          2HG       PRO   9   2.424   5.937   8.428
   74   2HG   PRO   9          1HG       PRO   9   3.093   7.439   7.770
   75   1HD   PRO   9          2HD       PRO   9   1.085   6.015   6.577
   76   2HD   PRO   9          1HD       PRO   9   2.207   7.075   5.695
   77    H    LYS  10           H        LYS  10   5.545   3.082   7.703
   78    HA   LYS  10           HA       LYS  10   3.975   0.675   7.854
   79   1HB   LYS  10          2HB       LYS  10   5.773  -0.047   9.313
   80   2HB   LYS  10          1HB       LYS  10   6.479   0.951   8.042
   81   1HG   LYS  10          2HG       LYS  10   6.209   2.925   9.659
   82   2HG   LYS  10          1HG       LYS  10   5.910   1.717  10.908
   83   1HD   LYS  10          2HD       LYS  10   8.294   1.287   9.179
   84   2HD   LYS  10          1HD       LYS  10   8.385   2.613  10.339
   85   1HE   LYS  10          2HE       LYS  10   8.115   1.172  12.193
   86   2HE   LYS  10          1HE       LYS  10   7.446  -0.133  11.193
   87   1HZ   LYS  10          1HZ       LYS  10   9.643  -0.772  11.431
   88   2HZ   LYS  10          2HZ       LYS  10  10.232   0.820  11.370
   89   3HZ   LYS  10          3HZ       LYS  10   9.683   0.060   9.953
   90    H    GLN  11           H        GLN  11   4.144   3.563   9.838
   91    HA   GLN  11           HA       GLN  11   3.052   2.545  12.273
   92   1HB   GLN  11          2HB       GLN  11   4.152   4.786  11.752
   93   2HB   GLN  11          1HB       GLN  11   2.613   5.281  11.046
   94   1HG   GLN  11          2HG       GLN  11   1.874   5.818  13.100
   95   2HG   GLN  11          1HG       GLN  11   2.024   4.125  13.571
   96   1HE2  GLN  11          1HE2      GLN  11   4.137   3.442  14.525
   97   2HE2  GLN  11          2HE2      GLN  11   5.136   4.595  15.267
   98    H    TYR  12           H        TYR  12   1.613   2.851   9.186
   99    HA   TYR  12           HA       TYR  12  -1.098   2.494  10.414
  100   1HB   TYR  12          2HB       TYR  12  -0.072   4.476   8.424
  101   2HB   TYR  12          1HB       TYR  12  -1.714   3.869   8.201
  102    HD1  TYR  12           HD1      TYR  12   0.433   6.055  10.125
  103    HD2  TYR  12           HD2      TYR  12  -3.361   4.043  10.123
  104    HE1  TYR  12           HE1      TYR  12  -0.370   7.571  11.916
  105    HE2  TYR  12           HE2      TYR  12  -4.166   5.560  11.913
  106    HH   TYR  12           HH       TYR  12  -3.147   8.283  12.608
  107    H    LYS  13           H        LYS  13   1.160   0.888   8.831
  108    HA   LYS  13           HA       LYS  13  -0.420  -0.081   6.524
  109   1HB   LYS  13          2HB       LYS  13   2.346  -0.171   7.549
  110   2HB   LYS  13          1HB       LYS  13   1.825  -1.650   6.744
  111   1HG   LYS  13          2HG       LYS  13   1.138  -0.353   4.771
  112   2HG   LYS  13          1HG       LYS  13   1.622   1.142   5.574
  113   1HD   LYS  13          2HD       LYS  13   3.388   0.362   4.037
  114   2HD   LYS  13          1HD       LYS  13   3.946   0.318   5.711
  115   1HE   LYS  13          2HE       LYS  13   3.386  -2.112   5.813
  116   2HE   LYS  13          1HE       LYS  13   2.930  -2.050   4.098
  117   1HZ   LYS  13          1HZ       LYS  13   5.243  -0.855   3.923
  118   2HZ   LYS  13          2HZ       LYS  13   5.136  -2.550   3.898
  119   3HZ   LYS  13          3HZ       LYS  13   5.575  -1.744   5.328
  120    H    HIS  14           H        HIS  14  -1.777  -0.622   8.933
  121    HA   HIS  14           HA       HIS  14  -1.106  -3.361   9.799
  122   1HB   HIS  14          2HB       HIS  14  -3.061  -1.192  10.490
  123   2HB   HIS  14          1HB       HIS  14  -3.436  -2.840  10.990
  124    HD1  HIS  14           HD1      HIS  14  -3.006  -2.309  13.502
  125    HD2  HIS  14           HD2      HIS  14   0.308  -1.663  11.056
  126    HE1  HIS  14           HE1      HIS  14  -1.022  -2.015  15.047
  127    H    TYR  15           H        TYR  15  -3.127  -1.779   7.474
  128    HA   TYR  15           HA       TYR  15  -4.857  -4.152   7.089
  129   1HB   TYR  15          2HB       TYR  15  -5.832  -2.621   5.315
  130   2HB   TYR  15          1HB       TYR  15  -5.874  -1.956   6.948
  131    HD1  TYR  15           HD1      TYR  15  -5.109   0.217   7.256
  132    HD2  TYR  15           HD2      TYR  15  -3.562  -2.101   3.987
  133    HE1  TYR  15           HE1      TYR  15  -3.782   2.169   6.498
  134    HE2  TYR  15           HE2      TYR  15  -2.235  -0.148   3.231
  135    HH   TYR  15           HH       TYR  15  -2.412   2.970   4.954
  136    H    CYS  16           H        CYS  16  -1.751  -3.330   6.255
  137    HA   CYS  16           HA       CYS  16  -1.720  -5.245   4.016
  138   1HB   CYS  16          2HB       CYS  16  -1.595  -2.281   3.728
  139   2HB   CYS  16          1HB       CYS  16  -0.487  -3.222   2.730
  140    H    ILE  17           H        ILE  17  -0.186  -6.364   5.378
  141    HA   ILE  17           HA       ILE  17   2.068  -5.277   6.678
  142    HB   ILE  17           HB       ILE  17   1.556  -7.922   5.291
  143   1HG1  ILE  17          2HG1      ILE  17   0.119  -7.262   7.241
  144   2HG1  ILE  17          1HG1      ILE  17   1.090  -8.701   7.550
  145   1HG2  ILE  17          1HG2      ILE  17   4.035  -6.874   6.253
  146   2HG2  ILE  17          2HG2      ILE  17   3.699  -8.500   5.656
  147   3HG2  ILE  17          3HG2      ILE  17   3.506  -8.133   7.370
  148   1HD1  ILE  17          1HD1      ILE  17   1.603  -5.881   8.513
  149   2HD1  ILE  17          2HD1      ILE  17   2.832  -7.144   8.578
  150   3HD1  ILE  17          3HD1      ILE  17   1.332  -7.324   9.490
  151    H    LYS  18           H        LYS  18   2.610  -7.253   3.783
  152    HA   LYS  18           HA       LYS  18   4.813  -5.439   2.986
  153   1HB   LYS  18          2HB       LYS  18   5.410  -7.307   1.536
  154   2HB   LYS  18          1HB       LYS  18   5.008  -7.942   3.132
  155   1HG   LYS  18          2HG       LYS  18   2.565  -8.055   2.061
  156   2HG   LYS  18          1HG       LYS  18   3.496  -8.168   0.567
  157   1HD   LYS  18          2HD       LYS  18   3.981  -9.926   2.987
  158   2HD   LYS  18          1HD       LYS  18   2.975 -10.399   1.619
  159   1HE   LYS  18          2HE       LYS  18   4.788 -10.875   0.332
  160   2HE   LYS  18          1HE       LYS  18   5.603  -9.368   0.798
  161   1HZ   LYS  18          1HZ       LYS  18   5.439 -11.887   2.359
  162   2HZ   LYS  18          2HZ       LYS  18   5.965 -10.414   3.023
  163   3HZ   LYS  18          3HZ       LYS  18   6.838 -11.138   1.757
  164    H    GLY  19           H        GLY  19   2.928  -3.797   2.470
  165   1HA   GLY  19          2HA       GLY  19   2.547  -3.849  -0.435
  166   2HA   GLY  19          1HA       GLY  19   1.049  -3.967   0.489
  167    H    ARG  20           H        ARG  20   2.266  -1.759  -1.241
  168    HA   ARG  20           HA       ARG  20   2.499   0.435   0.761
  169   1HB   ARG  20          2HB       ARG  20   2.796   0.433  -2.261
  170   2HB   ARG  20          1HB       ARG  20   3.328   1.700  -1.153
  171   1HG   ARG  20          2HG       ARG  20   5.323   0.624  -1.183
  172   2HG   ARG  20          1HG       ARG  20   4.547  -0.533  -0.100
  173   1HD   ARG  20          2HD       ARG  20   4.648  -2.155  -1.677
  174   2HD   ARG  20          1HD       ARG  20   3.867  -1.101  -2.873
  175    HE   ARG  20           HE       ARG  20   6.474  -0.105  -2.570
  176   1HH1  ARG  20          1HH1      ARG  20   5.177  -3.231  -3.146
  177   2HH1  ARG  20          2HH1      ARG  20   6.321  -3.631  -4.382
  178   1HH2  ARG  20          1HH2      ARG  20   7.865  -0.527  -4.329
  179   2HH2  ARG  20          2HH2      ARG  20   7.845  -2.101  -5.051
  180    H    CYS  21           H        CYS  21   0.808   1.860   1.078
  181    HA   CYS  21           HA       CYS  21  -1.491   1.727  -0.849
  182   1HB   CYS  21          2HB       CYS  21  -2.094   0.578   1.162
  183   2HB   CYS  21          1HB       CYS  21  -1.359   1.823   2.173
  184    H    ARG  22           H        ARG  22  -2.309   3.705  -1.502
  185    HA   ARG  22           HA       ARG  22  -1.015   6.158  -0.362
  186   1HB   ARG  22          2HB       ARG  22  -1.741   5.175  -3.053
  187   2HB   ARG  22          1HB       ARG  22  -2.146   6.867  -2.764
  188   1HG   ARG  22          2HG       ARG  22   0.237   7.125  -1.857
  189   2HG   ARG  22          1HG       ARG  22   0.565   5.545  -2.570
  190   1HD   ARG  22          2HD       ARG  22   1.008   6.668  -4.499
  191   2HD   ARG  22          1HD       ARG  22  -0.739   6.957  -4.611
  192    HE   ARG  22           HE       ARG  22  -0.004   8.920  -2.887
  193   1HH1  ARG  22          1HH2      ARG  22  -0.097   8.772  -6.129
  194   2HH1  ARG  22          2HH2      ARG  22   1.190   9.887  -6.447
  195   1HH2  ARG  22          1HH1      ARG  22   2.300   9.954  -3.164
  196   2HH2  ARG  22          2HH1      ARG  22   2.548  10.555  -4.769
  197    H    PHE  23           H        PHE  23  -2.368   7.651   0.608
  198    HA   PHE  23           HA       PHE  23  -5.323   7.171   0.382
  199   1HB   PHE  23          2HB       PHE  23  -3.942   6.880   2.575
  200   2HB   PHE  23          1HB       PHE  23  -3.910   8.643   2.601
  201    HD1  PHE  23           HD1      PHE  23  -6.430   9.578   1.756
  202    HD2  PHE  23           HD2      PHE  23  -5.567   6.017   3.998
  203    HE1  PHE  23           HE1      PHE  23  -8.727   9.605   2.682
  204    HE2  PHE  23           HE2      PHE  23  -7.866   6.045   4.927
  205    HZ   PHE  23           HZ       PHE  23  -9.447   7.840   4.269
  206    H    VAL  24           H        VAL  24  -6.219   8.697  -0.959
  207    HA   VAL  24           HA       VAL  24  -4.969  11.363  -1.249
  208    HB   VAL  24           HB       VAL  24  -7.534  10.304  -2.459
  209   1HG1  VAL  24          1HG1      VAL  24  -7.399  12.464  -3.212
  210   2HG1  VAL  24          2HG1      VAL  24  -6.288  11.744  -4.377
  211   3HG1  VAL  24          3HG1      VAL  24  -5.658  12.558  -2.944
  212   1HG2  VAL  24          1HG2      VAL  24  -5.633   9.847  -4.359
  213   2HG2  VAL  24          2HG2      VAL  24  -6.216   8.610  -3.246
  214   3HG2  VAL  24          3HG2      VAL  24  -4.722   9.480  -2.895
  215    H    VAL  25           H        VAL  25  -5.502  12.901   0.252
  216    HA   VAL  25           HA       VAL  25  -7.920  12.709   1.888
  217    HB   VAL  25           HB       VAL  25  -5.914  14.965   1.598
  218   1HG1  VAL  25          1HG1      VAL  25  -7.396  14.092   4.078
  219   2HG1  VAL  25          2HG1      VAL  25  -8.125  15.213   2.928
  220   3HG1  VAL  25          3HG1      VAL  25  -6.624  15.643   3.747
  221   1HG2  VAL  25          1HG2      VAL  25  -5.501  13.147   3.834
  222   2HG2  VAL  25          2HG2      VAL  25  -4.348  13.693   2.616
  223   3HG2  VAL  25          3HG2      VAL  25  -5.380  12.300   2.291
  224    H    ALA  26           H        ALA  26  -6.687  15.286  -0.304
  225    HA   ALA  26           HA       ALA  26  -8.877  16.958  -0.474
  226   1HB   ALA  26          1HB       ALA  26  -6.993  15.883  -2.586
  227   2HB   ALA  26          2HB       ALA  26  -6.891  17.417  -1.722
  228   3HB   ALA  26          3HB       ALA  26  -8.144  17.172  -2.939
  229    H    GLU  27           H        GLU  27  -8.505  13.785  -1.981
  230    HA   GLU  27           HA       GLU  27 -11.425  13.819  -2.657
  231   1HB   GLU  27          2HB       GLU  27  -9.250  13.809  -4.406
  232   2HB   GLU  27          1HB       GLU  27  -9.720  12.111  -4.319
  233   1HG   GLU  27          2HG       GLU  27 -12.056  13.828  -4.501
  234   2HG   GLU  27          1HG       GLU  27 -10.957  14.108  -5.852
  235    H    GLN  28           H        GLN  28 -11.919  12.636  -0.735
  236    HA   GLN  28           HA       GLN  28 -10.753  10.602   0.614
  237   1HB   GLN  28          2HB       GLN  28 -13.541  11.125  -0.314
  238   2HB   GLN  28          1HB       GLN  28 -13.228   9.581   0.481
  239   1HG   GLN  28          2HG       GLN  28 -12.874  10.552   2.512
  240   2HG   GLN  28          1HG       GLN  28 -12.029  11.933   1.812
  241   1HE2  GLN  28          1HE2      GLN  28 -13.232  13.851   1.470
  242   2HE2  GLN  28          2HE2      GLN  28 -14.898  13.983   1.767
  243    H    THR  29           H        THR  29  -9.285   9.380  -0.735
  244    HA   THR  29           HA       THR  29 -10.628   7.130  -2.154
  245    HB   THR  29           HB       THR  29  -8.554   9.013  -3.319
  246    HG1  THR  29           1HG      THR  29 -10.173   9.552  -4.690
  247   1HG2  THR  29          1HG2      THR  29  -8.676   7.572  -5.327
  248   2HG2  THR  29          2HG2      THR  29  -9.717   6.452  -4.447
  249   3HG2  THR  29          3HG2      THR  29  -8.046   6.691  -3.934
  250    HA   PRO  30           HA       PRO  30  -7.020   5.769   0.326
  251   1HB   PRO  30          2HB       PRO  30  -8.325   3.758   1.635
  252   2HB   PRO  30          1HB       PRO  30  -8.338   5.440   2.200
  253   1HG   PRO  30          2HG       PRO  30 -10.450   3.894   0.831
  254   2HG   PRO  30          1HG       PRO  30 -10.590   5.220   1.993
  255   1HD   PRO  30          2HD       PRO  30 -10.913   5.417  -0.776
  256   2HD   PRO  30          1HD       PRO  30 -10.687   6.771   0.351
  257    H    SER  31           H        SER  31  -6.011   4.883  -1.573
  258    HA   SER  31           HA       SER  31  -7.080   2.312  -2.635
  259   1HB   SER  31          2HB       SER  31  -6.383   4.372  -4.019
  260   2HB   SER  31          1HB       SER  31  -4.725   3.934  -3.617
  261    HG   SER  31           HG       SER  31  -6.419   1.931  -4.566
  262    H    CYS  32           H        CYS  32  -6.064   0.386  -2.154
  263    HA   CYS  32           HA       CYS  32  -3.410   0.534  -0.754
  264   1HB   CYS  32          2HB       CYS  32  -4.193  -1.450   0.472
  265   2HB   CYS  32          1HB       CYS  32  -5.370  -0.146   0.624
  266    H    VAL  33           H        VAL  33  -1.779  -0.407  -1.899
  267    HA   VAL  33           HA       VAL  33  -2.472  -2.587  -3.844
  268    HB   VAL  33           HB       VAL  33  -0.490  -0.295  -4.026
  269   1HG1  VAL  33          1HG1      VAL  33  -0.043  -1.212  -6.318
  270   2HG1  VAL  33          2HG1      VAL  33  -0.986  -2.639  -5.886
  271   3HG1  VAL  33          3HG1      VAL  33   0.509  -2.275  -5.024
  272   1HG2  VAL  33          1HG2      VAL  33  -2.250   0.761  -4.962
  273   2HG2  VAL  33          2HG2      VAL  33  -3.234  -0.700  -4.877
  274   3HG2  VAL  33          3HG2      VAL  33  -2.187  -0.422  -6.268
  275    H    CYS  34           H        CYS  34  -1.565  -4.472  -3.118
  276    HA   CYS  34           HA       CYS  34   0.770  -4.388  -1.295
  277   1HB   CYS  34          2HB       CYS  34  -0.836  -6.739  -2.333
  278   2HB   CYS  34          1HB       CYS  34   0.164  -6.691  -0.882
  279    H    ASP  35           H        ASP  35   2.609  -5.896  -1.734
  280    HA   ASP  35           HA       ASP  35   3.925  -5.478  -4.166
  281   1HB   ASP  35          2HB       ASP  35   4.263  -6.930  -1.767
  282   2HB   ASP  35          1HB       ASP  35   4.523  -8.091  -3.069
  283    H    GLU  36           H        GLU  36   3.526  -6.212  -6.216
  284    HA   GLU  36           HA       GLU  36   1.364  -7.763  -7.047
  285   1HB   GLU  36          2HB       GLU  36   2.740  -6.478  -8.564
  286   2HB   GLU  36          1HB       GLU  36   4.159  -7.451  -8.180
  287   1HG   GLU  36          2HG       GLU  36   2.164  -9.279  -8.985
  288   2HG   GLU  36          1HG       GLU  36   2.102  -7.952 -10.145
  289    H    GLY  37           H        GLY  37   4.642  -8.920  -6.210
  290   1HA   GLY  37          2HA       GLY  37   3.777 -11.719  -6.590
  291   2HA   GLY  37          1HA       GLY  37   5.413 -11.188  -6.202
  292    H    TYR  38           H        TYR  38   2.341 -10.443  -4.548
  293    HA   TYR  38           HA       TYR  38   3.543 -11.632  -2.072
  294   1HB   TYR  38          2HB       TYR  38   2.802  -9.769  -0.929
  295   2HB   TYR  38          1HB       TYR  38   2.961  -9.044  -2.525
  296    HD1  TYR  38           HD1      TYR  38   0.867  -9.149   0.189
  297    HD2  TYR  38           HD2      TYR  38   0.723  -9.703  -4.070
  298    HE1  TYR  38           HE1      TYR  38  -1.557  -8.625   0.198
  299    HE2  TYR  38           HE2      TYR  38  -1.697  -9.176  -4.059
  300    HH   TYR  38           HH       TYR  38  -3.391  -8.391  -1.016
  301    H    ILE  39           H        ILE  39   1.848 -12.456  -0.504
  302    HA   ILE  39           HA       ILE  39  -0.706 -13.304  -1.778
  303    HB   ILE  39           HB       ILE  39   1.306 -15.198  -0.522
  304   1HG1  ILE  39          2HG1      ILE  39   0.586 -14.722  -3.432
  305   2HG1  ILE  39          1HG1      ILE  39   2.129 -14.331  -2.671
  306   1HG2  ILE  39          1HG2      ILE  39  -0.842 -16.139  -0.245
  307   2HG2  ILE  39          2HG2      ILE  39  -0.260 -16.861  -1.745
  308   3HG2  ILE  39          3HG2      ILE  39  -1.407 -15.523  -1.797
  309   1HD1  ILE  39          1HD1      ILE  39   2.178 -16.501  -3.923
  310   2HD1  ILE  39          2HD1      ILE  39   0.955 -17.124  -2.814
  311   3HD1  ILE  39          3HD1      ILE  39   2.552 -16.683  -2.209
  312    H    GLY  40           H        GLY  40  -2.174 -14.305  -0.109
  313   1HA   GLY  40          2HA       GLY  40  -2.678 -14.725   2.257
  314   2HA   GLY  40          1HA       GLY  40  -1.472 -13.509   2.680
  315    H    ALA  41           H        ALA  41  -4.264 -13.539   3.526
  316    HA   ALA  41           HA       ALA  41  -5.692 -11.519   1.957
  317   1HB   ALA  41          1HB       ALA  41  -7.431 -11.996   3.445
  318   2HB   ALA  41          2HB       ALA  41  -6.328 -12.292   4.790
  319   3HB   ALA  41          3HB       ALA  41  -6.503 -13.494   3.511
  320    H    ARG  42           H        ARG  42  -3.263 -11.464   4.381
  321    HA   ARG  42           HA       ARG  42  -3.881  -8.587   4.979
  322   1HB   ARG  42          2HB       ARG  42  -2.635 -10.806   6.629
  323   2HB   ARG  42          1HB       ARG  42  -2.644  -9.116   7.134
  324   1HG   ARG  42          2HG       ARG  42  -5.204  -9.225   6.721
  325   2HG   ARG  42          1HG       ARG  42  -4.987 -10.975   6.758
  326   1HD   ARG  42          2HD       ARG  42  -3.668 -10.476   8.993
  327   2HD   ARG  42          1HD       ARG  42  -4.623  -8.981   8.976
  328    HE   ARG  42           HE       ARG  42  -6.645 -10.548   8.638
  329   1HH1  ARG  42          1HH1      ARG  42  -3.887 -12.330   9.301
  330   2HH1  ARG  42          2HH1      ARG  42  -4.546 -13.185  10.654
  331   1HH2  ARG  42          1HH2      ARG  42  -7.445 -11.287  10.782
  332   2HH2  ARG  42          2HH2      ARG  42  -6.560 -12.597  11.492
  333    H    CYS  43           H        CYS  43  -2.069 -10.166   2.935
  334    HA   CYS  43           HA       CYS  43  -0.011  -9.688   1.873
  335   1HB   CYS  43          2HB       CYS  43   0.151  -7.372   3.814
  336   2HB   CYS  43          1HB       CYS  43   0.804  -7.465   2.179
  337    H    GLU  44           H        GLU  44  -0.202 -11.294   4.444
  338    HA   GLU  44           HA       GLU  44   2.418 -10.738   5.728
  339   1HB   GLU  44          2HB       GLU  44   1.612 -12.430   7.332
  340   2HB   GLU  44          1HB       GLU  44   0.368 -11.212   7.050
  341   1HG   GLU  44          2HG       GLU  44  -1.050 -12.822   6.378
  342   2HG   GLU  44          1HG       GLU  44   0.056 -13.241   5.068
  343    H    ARG  45           H        ARG  45   1.216 -12.585   3.149
  344    HA   ARG  45           HA       ARG  45   3.330 -14.679   3.476
  345   1HB   ARG  45          2HB       ARG  45   0.658 -14.868   2.956
  346   2HB   ARG  45          1HB       ARG  45   1.310 -14.853   1.317
  347   1HG   ARG  45          2HG       ARG  45   2.593 -16.618   3.375
  348   2HG   ARG  45          1HG       ARG  45   1.084 -17.135   2.624
  349   1HD   ARG  45          2HD       ARG  45   2.934 -16.107   0.623
  350   2HD   ARG  45          1HD       ARG  45   3.647 -17.452   1.538
  351    HE   ARG  45           HE       ARG  45   1.504 -17.725  -0.337
  352   1HH1  ARG  45          1HH1      ARG  45   3.289 -19.822   1.150
  353   2HH1  ARG  45          2HH1      ARG  45   2.052 -20.791   1.879
  354   1HH2  ARG  45          1HH2      ARG  45  -0.462 -18.469   1.327
  355   2HH2  ARG  45          2HH2      ARG  45  -0.071 -20.025   1.980
  356    H    VAL  46           H        VAL  46   4.606 -15.214   1.544
  357    HA   VAL  46           HA       VAL  46   4.803 -12.958  -0.427
  358    HB   VAL  46           HB       VAL  46   6.580 -12.950   1.312
  359   1HG1  VAL  46          1HG1      VAL  46   8.053 -15.251   0.415
  360   2HG1  VAL  46          2HG1      VAL  46   6.437 -15.759   0.906
  361   3HG1  VAL  46          3HG1      VAL  46   7.469 -14.885   2.038
  362   1HG2  VAL  46          1HG2      VAL  46   7.288 -12.068  -0.776
  363   2HG2  VAL  46          2HG2      VAL  46   7.319 -13.662  -1.530
  364   3HG2  VAL  46          3HG2      VAL  46   8.543 -13.226  -0.339
  365    H    ASP  47           H        ASP  47   5.509 -13.618  -2.566
  366    HA   ASP  47           HA       ASP  47   5.153 -16.553  -3.091
  367   1HB   ASP  47          2HB       ASP  47   3.375 -15.004  -3.914
  368   2HB   ASP  47          1HB       ASP  47   4.593 -14.150  -4.862
  369    H    LEU  48           H        LEU  48   7.689 -16.137  -2.492
  370    HA   LEU  48           HA       LEU  48   9.204 -15.256  -4.886
  371   1HB   LEU  48          2HB       LEU  48  10.944 -14.955  -3.393
  372   2HB   LEU  48          1HB       LEU  48   9.597 -14.852  -2.265
  373    HG   LEU  48           HG       LEU  48   9.947 -17.506  -2.189
  374   1HD1  LEU  48          1HD1      LEU  48  12.808 -16.941  -2.217
  375   2HD1  LEU  48          2HD1      LEU  48  12.077 -16.710  -3.804
  376   3HD1  LEU  48          3HD1      LEU  48  11.921 -18.261  -2.980
  377   1HD2  LEU  48          1HD2      LEU  48  11.779 -15.581  -0.723
  378   2HD2  LEU  48          2HD2      LEU  48  11.254 -17.170  -0.165
  379   3HD2  LEU  48          3HD2      LEU  48  10.088 -15.854  -0.300
  380    H    PHE  49           H        PHE  49   8.250 -18.193  -3.232
  381    HA   PHE  49           HA       PHE  49  10.215 -19.895  -4.587
  382   1HB   PHE  49          2HB       PHE  49   7.726 -20.400  -2.928
  383   2HB   PHE  49          1HB       PHE  49   8.807 -21.677  -3.483
  384    HD1  PHE  49           HD1      PHE  49   8.262 -19.078  -1.028
  385    HD2  PHE  49           HD2      PHE  49  11.250 -21.608  -2.793
  386    HE1  PHE  49           HE1      PHE  49   9.768 -18.641   0.895
  387    HE2  PHE  49           HE2      PHE  49  12.756 -21.172  -0.871
  388    HZ   PHE  49           HZ       PHE  49  12.015 -19.688   0.972
  389    H    TYR  50           H        TYR  50   7.746 -18.235  -5.867
  390    HA   TYR  50           HA       TYR  50   6.069 -20.106  -7.199
  391   1HB   TYR  50          2HB       TYR  50   5.534 -18.219  -8.596
  392   2HB   TYR  50          1HB       TYR  50   5.896 -17.570  -6.996
  393    HD1  TYR  50           HD1      TYR  50   8.112 -16.517  -6.541
  394    HD2  TYR  50           HD2      TYR  50   6.948 -17.758 -10.485
  395    HE1  TYR  50           HE1      TYR  50   9.923 -15.128  -7.511
  396    HE2  TYR  50           HE2      TYR  50   8.759 -16.369 -11.455
  397    HH   TYR  50           HH       TYR  50  11.299 -15.339  -9.934
  Start of MODEL   15
    1   1H    ARG   1          H1        ARG   1  -8.666  15.545  -9.959
    2   2H    ARG   1          H2        ARG   1  -9.193  16.935  -9.137
    3   3H    ARG   1          H3        ARG   1  -7.874  16.044  -8.545
    4    HA   ARG   1           HA       ARG   1  -7.768  17.251 -11.243
    5   1HB   ARG   1          2HB       ARG   1  -7.929  18.523  -8.600
    6   2HB   ARG   1          1HB       ARG   1  -6.492  18.998  -9.509
    7   1HG   ARG   1          2HG       ARG   1  -7.794  20.424 -10.668
    8   2HG   ARG   1          1HG       ARG   1  -8.584  19.019 -11.384
    9   1HD   ARG   1          2HD       ARG   1 -10.439  19.211 -10.035
   10   2HD   ARG   1          1HD       ARG   1  -9.494  19.798  -8.652
   11    HE   ARG   1           HE       ARG   1  -9.376  22.004  -9.766
   12   1HH1  ARG   1          1HH2      ARG   1 -10.727  19.867 -11.976
   13   2HH1  ARG   1          2HH2      ARG   1 -12.027  20.906 -12.453
   14   1HH2  ARG   1          1HH1      ARG   1 -11.395  23.268  -9.994
   15   2HH2  ARG   1          2HH1      ARG   1 -12.406  22.831 -11.331
   16    H    LYS   2           H        LYS   2  -5.710  16.957 -12.082
   17    HA   LYS   2           HA       LYS   2  -3.627  15.822 -12.266
   18   1HB   LYS   2          2HB       LYS   2  -2.005  16.978 -10.903
   19   2HB   LYS   2          1HB       LYS   2  -3.290  18.130 -11.266
   20   1HG   LYS   2          2HG       LYS   2  -4.242  17.914  -9.096
   21   2HG   LYS   2          1HG       LYS   2  -3.302  16.464  -8.745
   22   1HD   LYS   2          2HD       LYS   2  -2.410  18.532  -7.627
   23   2HD   LYS   2          1HD       LYS   2  -1.242  17.742  -8.687
   24   1HE   LYS   2          2HE       LYS   2  -2.080  19.354 -10.526
   25   2HE   LYS   2          1HE       LYS   2  -2.812  20.274  -9.197
   26   1HZ   LYS   2          1HZ       LYS   2  -0.666  21.134  -9.338
   27   2HZ   LYS   2          2HZ       LYS   2   0.037  19.615  -9.631
   28   3HZ   LYS   2          3HZ       LYS   2  -0.545  20.001  -8.082
   29    H    GLY   3           H        GLY   3  -1.885  15.166 -10.016
   30   1HA   GLY   3          2HA       GLY   3  -3.463  13.052  -8.621
   31   2HA   GLY   3          1HA       GLY   3  -1.968  12.624  -9.454
   32    H    HIS   4           H        HIS   4  -0.191  12.591  -8.178
   33    HA   HIS   4           HA       HIS   4   1.249  13.050  -6.361
   34   1HB   HIS   4          2HB       HIS   4  -0.163  15.543  -7.106
   35   2HB   HIS   4          1HB       HIS   4   0.578  15.557  -5.506
   36    HD1  HIS   4           HD1      HIS   4   1.628  17.145  -8.100
   37    HD2  HIS   4           HD2      HIS   4   3.211  13.610  -6.561
   38    HE1  HIS   4           HE1      HIS   4   4.023  17.019  -8.915
   39    H    PHE   5           H        PHE   5  -0.168  11.354  -5.223
   40    HA   PHE   5           HA       PHE   5  -1.997  12.505  -3.175
   41   1HB   PHE   5          2HB       PHE   5  -1.329   9.621  -3.836
   42   2HB   PHE   5          1HB       PHE   5  -2.730  10.209  -2.940
   43    HD1  PHE   5           HD1      PHE   5  -4.340  11.818  -4.162
   44    HD2  PHE   5           HD2      PHE   5  -1.424   9.391  -6.178
   45    HE1  PHE   5           HE1      PHE   5  -5.593  12.077  -6.286
   46    HE2  PHE   5           HE2      PHE   5  -2.678   9.650  -8.302
   47    HZ   PHE   5           HZ       PHE   5  -4.762  10.992  -8.356
   48    H    SER   6           H        SER   6  -1.384  10.025  -1.522
   49    HA   SER   6           HA       SER   6   1.343  10.668  -0.509
   50   1HB   SER   6          2HB       SER   6  -1.113  11.623   0.570
   51   2HB   SER   6          1HB       SER   6  -0.493  10.414   1.690
   52    HG   SER   6           HG       SER   6   1.516  11.550   1.621
   53    H    ARG   7           H        ARG   7   2.244   8.933   0.744
   54    HA   ARG   7           HA       ARG   7   0.789   6.335   0.436
   55   1HB   ARG   7          2HB       ARG   7   3.356   7.237  -0.248
   56   2HB   ARG   7          1HB       ARG   7   3.604   6.212   1.166
   57   1HG   ARG   7          2HG       ARG   7   3.305   4.374  -0.091
   58   2HG   ARG   7          1HG       ARG   7   1.696   4.937  -0.546
   59   1HD   ARG   7          2HD       ARG   7   4.304   5.678  -1.926
   60   2HD   ARG   7          1HD       ARG   7   3.019   4.643  -2.583
   61    HE   ARG   7           HE       ARG   7   1.795   7.067  -1.792
   62   1HH1  ARG   7          1HH1      ARG   7   3.174   5.486  -4.423
   63   2HH1  ARG   7          2HH1      ARG   7   3.290   6.892  -5.427
   64   1HH2  ARG   7          1HH2      ARG   7   2.363   9.091  -2.912
   65   2HH2  ARG   7          2HH2      ARG   7   2.831   8.934  -4.571
   66    H    CYS   8           H        CYS   8   0.210   5.225   2.278
   67    HA   CYS   8           HA       CYS   8   0.383   6.432   4.878
   68   1HB   CYS   8          2HB       CYS   8  -0.808   4.187   3.558
   69   2HB   CYS   8          1HB       CYS   8  -0.027   3.606   5.028
   70    HA   PRO   9           HA       PRO   9   4.437   5.123   6.029
   71   1HB   PRO   9          2HB       PRO   9   4.198   5.446   8.735
   72   2HB   PRO   9          1HB       PRO   9   4.365   6.809   7.611
   73   1HG   PRO   9          2HG       PRO   9   1.929   5.742   8.939
   74   2HG   PRO   9          1HG       PRO   9   2.383   7.416   8.590
   75   1HD   PRO   9          2HD       PRO   9   0.584   5.982   7.108
   76   2HD   PRO   9          1HD       PRO   9   1.541   7.336   6.468
   77    H    LYS  10           H        LYS  10   5.463   3.431   7.486
   78    HA   LYS  10           HA       LYS  10   4.140   0.901   7.266
   79   1HB   LYS  10          2HB       LYS  10   6.625   1.477   7.399
   80   2HB   LYS  10          1HB       LYS  10   6.397   1.656   9.140
   81   1HG   LYS  10          2HG       LYS  10   6.240  -0.585   9.475
   82   2HG   LYS  10          1HG       LYS  10   5.270  -0.827   8.022
   83   1HD   LYS  10          2HD       LYS  10   8.275  -0.435   8.126
   84   2HD   LYS  10          1HD       LYS  10   7.428  -1.934   7.742
   85   1HE   LYS  10          2HE       LYS  10   6.317  -0.061   5.981
   86   2HE   LYS  10          1HE       LYS  10   8.053   0.306   5.987
   87   1HZ   LYS  10          1HZ       LYS  10   6.681  -2.161   5.221
   88   2HZ   LYS  10          2HZ       LYS  10   8.181  -2.315   6.004
   89   3HZ   LYS  10          3HZ       LYS  10   8.063  -1.443   4.551
   90    H    GLN  11           H        GLN  11   4.337   3.264   9.894
   91    HA   GLN  11           HA       GLN  11   3.359   1.569  12.003
   92   1HB   GLN  11          2HB       GLN  11   4.312   4.160  11.657
   93   2HB   GLN  11          1HB       GLN  11   2.634   4.404  12.144
   94   1HG   GLN  11          2HG       GLN  11   2.943   3.090  14.141
   95   2HG   GLN  11          1HG       GLN  11   4.545   2.573  13.615
   96   1HE2  GLN  11          1HE2      GLN  11   6.133   3.683  14.756
   97   2HE2  GLN  11          2HE2      GLN  11   6.046   5.315  15.214
   98    H    TYR  12           H        TYR  12   1.780   3.190   9.347
   99    HA   TYR  12           HA       TYR  12  -0.902   2.765  10.598
  100   1HB   TYR  12          2HB       TYR  12   0.351   4.738   8.912
  101   2HB   TYR  12          1HB       TYR  12  -1.044   4.062   8.072
  102    HD1  TYR  12           HD1      TYR  12  -0.048   6.565  10.294
  103    HD2  TYR  12           HD2      TYR  12  -3.160   3.661   9.715
  104    HE1  TYR  12           HE1      TYR  12  -1.564   7.902  11.730
  105    HE2  TYR  12           HE2      TYR  12  -4.676   4.998  11.151
  106    HH   TYR  12           HH       TYR  12  -3.686   8.159  12.424
  107    H    LYS  13           H        LYS  13   1.186   0.984   8.836
  108    HA   LYS  13           HA       LYS  13  -0.685   0.038   6.751
  109   1HB   LYS  13          2HB       LYS  13   2.091   0.238   7.113
  110   2HB   LYS  13          1HB       LYS  13   1.755  -1.493   7.159
  111   1HG   LYS  13          2HG       LYS  13   1.655  -1.441   4.908
  112   2HG   LYS  13          1HG       LYS  13   0.166  -0.509   5.067
  113   1HD   LYS  13          2HD       LYS  13   1.300   1.099   3.929
  114   2HD   LYS  13          1HD       LYS  13   2.067   1.424   5.484
  115   1HE   LYS  13          2HE       LYS  13   3.684  -0.554   4.705
  116   2HE   LYS  13          1HE       LYS  13   3.168  -0.008   3.097
  117   1HZ   LYS  13          1HZ       LYS  13   5.111   1.187   4.443
  118   2HZ   LYS  13          2HZ       LYS  13   3.788   2.062   5.051
  119   3HZ   LYS  13          3HZ       LYS  13   4.089   2.025   3.380
  120    H    HIS  14           H        HIS  14  -1.894  -0.460   9.167
  121    HA   HIS  14           HA       HIS  14  -1.169  -3.155  10.127
  122   1HB   HIS  14          2HB       HIS  14  -3.184  -1.012  10.788
  123   2HB   HIS  14          1HB       HIS  14  -3.377  -2.634  11.455
  124    HD1  HIS  14           HD1      HIS  14  -2.147   0.393  12.570
  125    HD2  HIS  14           HD2      HIS  14  -0.408  -3.392  12.401
  126    HE1  HIS  14           HE1      HIS  14  -0.251   0.400  14.249
  127    H    TYR  15           H        TYR  15  -3.135  -1.747   7.709
  128    HA   TYR  15           HA       TYR  15  -5.004  -4.040   7.563
  129   1HB   TYR  15          2HB       TYR  15  -5.800  -2.644   5.537
  130   2HB   TYR  15          1HB       TYR  15  -5.998  -1.918   7.131
  131    HD1  TYR  15           HD1      TYR  15  -5.223   0.248   7.471
  132    HD2  TYR  15           HD2      TYR  15  -3.460  -2.143   4.370
  133    HE1  TYR  15           HE1      TYR  15  -3.831   2.180   6.774
  134    HE2  TYR  15           HE2      TYR  15  -2.067  -0.211   3.673
  135    HH   TYR  15           HH       TYR  15  -1.165   1.964   4.969
  136    H    CYS  16           H        CYS  16  -1.863  -3.408   6.605
  137    HA   CYS  16           HA       CYS  16  -1.898  -5.633   4.673
  138   1HB   CYS  16          2HB       CYS  16  -1.631  -2.737   3.938
  139   2HB   CYS  16          1HB       CYS  16  -0.677  -3.918   3.042
  140    H    ILE  17           H        ILE  17  -0.253  -6.701   5.813
  141    HA   ILE  17           HA       ILE  17   1.940  -5.538   7.163
  142    HB   ILE  17           HB       ILE  17   1.522  -8.172   5.732
  143   1HG1  ILE  17          2HG1      ILE  17   1.693  -7.608   8.696
  144   2HG1  ILE  17          1HG1      ILE  17   0.174  -7.461   7.809
  145   1HG2  ILE  17          1HG2      ILE  17   3.690  -8.691   6.037
  146   2HG2  ILE  17          2HG2      ILE  17   3.542  -8.329   7.758
  147   3HG2  ILE  17          3HG2      ILE  17   3.989  -7.055   6.623
  148   1HD1  ILE  17          1HD1      ILE  17  -0.094  -9.678   8.146
  149   2HD1  ILE  17          2HD1      ILE  17   1.572  -9.866   8.692
  150   3HD1  ILE  17          3HD1      ILE  17   1.199  -9.912   6.970
  151    H    LYS  18           H        LYS  18   2.496  -7.379   4.166
  152    HA   LYS  18           HA       LYS  18   4.642  -5.463   3.436
  153   1HB   LYS  18          2HB       LYS  18   5.306  -7.250   1.910
  154   2HB   LYS  18          1HB       LYS  18   4.959  -7.953   3.489
  155   1HG   LYS  18          2HG       LYS  18   2.528  -8.218   2.499
  156   2HG   LYS  18          1HG       LYS  18   3.369  -8.119   0.952
  157   1HD   LYS  18          2HD       LYS  18   3.984 -10.079   3.184
  158   2HD   LYS  18          1HD       LYS  18   3.172 -10.462   1.665
  159   1HE   LYS  18          2HE       LYS  18   5.179 -10.748   0.659
  160   2HE   LYS  18          1HE       LYS  18   5.633  -9.084   1.076
  161   1HZ   LYS  18          1HZ       LYS  18   5.937 -10.046   3.426
  162   2HZ   LYS  18          2HZ       LYS  18   7.150 -10.339   2.274
  163   3HZ   LYS  18          3HZ       LYS  18   6.020 -11.551   2.649
  164    H    GLY  19           H        GLY  19   2.628  -3.919   3.020
  165   1HA   GLY  19          2HA       GLY  19   2.226  -3.888   0.109
  166   2HA   GLY  19          1HA       GLY  19   0.753  -4.076   1.060
  167    H    ARG  20           H        ARG  20   1.693  -1.799  -0.646
  168    HA   ARG  20           HA       ARG  20   1.921   0.357   1.415
  169   1HB   ARG  20          2HB       ARG  20   2.651  -0.002  -1.475
  170   2HB   ARG  20          1HB       ARG  20   2.390   1.631  -0.859
  171   1HG   ARG  20          2HG       ARG  20   4.097   1.359   0.814
  172   2HG   ARG  20          1HG       ARG  20   4.240  -0.365   0.469
  173   1HD   ARG  20          2HD       ARG  20   5.072   0.147  -1.802
  174   2HD   ARG  20          1HD       ARG  20   4.931   1.883  -1.459
  175    HE   ARG  20           HE       ARG  20   6.660   1.632   0.256
  176   1HH1  ARG  20          1HH2      ARG  20   5.918  -1.428   0.440
  177   2HH1  ARG  20          2HH2      ARG  20   7.421  -2.111  -0.088
  178   1HH2  ARG  20          1HH1      ARG  20   8.646   0.882  -1.338
  179   2HH2  ARG  20          2HH1      ARG  20   8.964  -0.802  -1.094
  180    H    CYS  21           H        CYS  21   0.224   1.795   1.667
  181    HA   CYS  21           HA       CYS  21  -2.166   1.400  -0.093
  182   1HB   CYS  21          2HB       CYS  21  -2.579   0.907   2.216
  183   2HB   CYS  21          1HB       CYS  21  -1.729   2.359   2.743
  184    H    ARG  22           H        ARG  22  -2.838   3.110  -1.348
  185    HA   ARG  22           HA       ARG  22  -1.350   5.678  -1.127
  186   1HB   ARG  22          2HB       ARG  22  -3.125   4.374  -3.209
  187   2HB   ARG  22          1HB       ARG  22  -2.503   6.015  -3.382
  188   1HG   ARG  22          2HG       ARG  22  -0.260   5.285  -3.480
  189   2HG   ARG  22          1HG       ARG  22  -0.654   3.705  -2.800
  190   1HD   ARG  22          2HD       ARG  22  -0.228   3.738  -5.327
  191   2HD   ARG  22          1HD       ARG  22  -1.780   3.029  -4.834
  192    HE   ARG  22           HE       ARG  22  -2.042   5.878  -5.201
  193   1HH1  ARG  22          1HH2      ARG  22  -3.936   3.668  -6.130
  194   2HH1  ARG  22          2HH2      ARG  22  -3.835   3.847  -7.850
  195   1HH2  ARG  22          1HH1      ARG  22  -0.956   5.779  -7.744
  196   2HH2  ARG  22          2HH1      ARG  22  -2.147   5.042  -8.764
  197    H    PHE  23           H        PHE  23  -2.375   6.971   0.400
  198    HA   PHE  23           HA       PHE  23  -5.346   7.053   0.481
  199   1HB   PHE  23          2HB       PHE  23  -3.579   6.872   2.443
  200   2HB   PHE  23          1HB       PHE  23  -3.501   8.624   2.252
  201    HD1  PHE  23           HD1      PHE  23  -6.033   9.649   1.805
  202    HD2  PHE  23           HD2      PHE  23  -5.037   6.162   4.108
  203    HE1  PHE  23           HE1      PHE  23  -8.146   9.888   3.079
  204    HE2  PHE  23           HE2      PHE  23  -7.152   6.400   5.382
  205    HZ   PHE  23           HZ       PHE  23  -8.707   8.263   4.867
  206    H    VAL  24           H        VAL  24  -6.224   8.501  -0.964
  207    HA   VAL  24           HA       VAL  24  -4.732  10.893  -1.815
  208    HB   VAL  24           HB       VAL  24  -7.558   9.970  -2.410
  209   1HG1  VAL  24          1HG1      VAL  24  -5.962  12.246  -3.209
  210   2HG1  VAL  24          2HG1      VAL  24  -7.645  11.883  -3.595
  211   3HG1  VAL  24          3HG1      VAL  24  -6.350  11.252  -4.613
  212   1HG2  VAL  24          1HG2      VAL  24  -6.744   8.495  -3.967
  213   2HG2  VAL  24          2HG2      VAL  24  -5.342   8.483  -2.897
  214   3HG2  VAL  24          3HG2      VAL  24  -5.345   9.502  -4.337
  215    H    VAL  25           H        VAL  25  -4.793  12.701  -0.549
  216    HA   VAL  25           HA       VAL  25  -6.822  13.105   1.511
  217    HB   VAL  25           HB       VAL  25  -4.767  15.053   0.432
  218   1HG1  VAL  25          1HG1      VAL  25  -6.454  15.855   2.104
  219   2HG1  VAL  25          2HG1      VAL  25  -4.797  15.919   2.705
  220   3HG1  VAL  25          3HG1      VAL  25  -5.873  14.620   3.222
  221   1HG2  VAL  25          1HG2      VAL  25  -3.659  13.784   2.642
  222   2HG2  VAL  25          2HG2      VAL  25  -3.214  13.489   0.961
  223   3HG2  VAL  25          3HG2      VAL  25  -4.411  12.461   1.751
  224    H    ALA  26           H        ALA  26  -5.830  15.202  -1.238
  225    HA   ALA  26           HA       ALA  26  -7.908  17.018  -1.300
  226   1HB   ALA  26          1HB       ALA  26  -7.367  17.268  -3.618
  227   2HB   ALA  26          2HB       ALA  26  -6.920  15.569  -3.769
  228   3HB   ALA  26          3HB       ALA  26  -5.890  16.676  -2.860
  229    H    GLU  27           H        GLU  27  -7.973  13.884  -3.032
  230    HA   GLU  27           HA       GLU  27 -10.957  14.035  -3.083
  231   1HB   GLU  27          2HB       GLU  27  -9.068  13.514  -5.024
  232   2HB   GLU  27          1HB       GLU  27  -9.546  11.887  -4.535
  233   1HG   GLU  27          2HG       GLU  27 -11.019  12.590  -6.323
  234   2HG   GLU  27          1HG       GLU  27 -11.947  12.585  -4.823
  235    H    GLN  28           H        GLN  28 -11.297  13.303  -0.903
  236    HA   GLN  28           HA       GLN  28 -10.194  11.379   0.654
  237   1HB   GLN  28          2HB       GLN  28 -12.425  12.715   0.804
  238   2HB   GLN  28          1HB       GLN  28 -13.152  11.277   0.087
  239   1HG   GLN  28          2HG       GLN  28 -13.338  10.700   2.312
  240   2HG   GLN  28          1HG       GLN  28 -11.722  10.069   1.997
  241   1HE2  GLN  28          1HE2      GLN  28 -13.181  13.269   2.861
  242   2HE2  GLN  28          2HE2      GLN  28 -11.994  13.656   4.012
  243    H    THR  29           H        THR  29  -9.105   9.733  -0.591
  244    HA   THR  29           HA       THR  29 -10.906   7.502  -1.396
  245    HB   THR  29           HB       THR  29  -8.817   8.825  -3.155
  246    HG1  THR  29           1HG      THR  29 -11.629   8.523  -3.336
  247   1HG2  THR  29          1HG2      THR  29 -10.427   6.288  -3.502
  248   2HG2  THR  29          2HG2      THR  29  -8.671   6.460  -3.524
  249   3HG2  THR  29          3HG2      THR  29  -9.639   7.120  -4.842
  250    HA   PRO  30           HA       PRO  30  -7.136   6.124   0.854
  251   1HB   PRO  30          2HB       PRO  30  -8.457   4.474   2.587
  252   2HB   PRO  30          1HB       PRO  30  -8.232   6.208   2.890
  253   1HG   PRO  30          2HG       PRO  30 -10.634   4.750   1.936
  254   2HG   PRO  30          1HG       PRO  30 -10.514   6.169   2.987
  255   1HD   PRO  30          2HD       PRO  30 -11.181   6.245   0.312
  256   2HD   PRO  30          1HD       PRO  30 -10.526   7.616   1.233
  257    H    SER  31           H        SER  31  -6.519   4.910  -1.054
  258    HA   SER  31           HA       SER  31  -7.896   2.297  -1.483
  259   1HB   SER  31          2HB       SER  31  -7.524   3.908  -3.360
  260   2HB   SER  31          1HB       SER  31  -5.787   3.768  -3.100
  261    HG   SER  31           HG       SER  31  -7.300   1.433  -3.408
  262    H    CYS  32           H        CYS  32  -6.787   0.352  -1.165
  263    HA   CYS  32           HA       CYS  32  -4.060   0.574   0.060
  264   1HB   CYS  32          2HB       CYS  32  -4.686  -1.455   1.250
  265   2HB   CYS  32          1HB       CYS  32  -5.998  -0.288   1.414
  266    H    VAL  33           H        VAL  33  -2.379  -0.464  -0.965
  267    HA   VAL  33           HA       VAL  33  -3.040  -2.444  -3.119
  268    HB   VAL  33           HB       VAL  33  -0.987  -0.206  -3.164
  269   1HG1  VAL  33          1HG1      VAL  33  -1.646  -1.374  -5.720
  270   2HG1  VAL  33          2HG1      VAL  33  -1.116  -2.636  -4.607
  271   3HG1  VAL  33          3HG1      VAL  33  -0.072  -1.253  -4.934
  272   1HG2  VAL  33          1HG2      VAL  33  -3.123   0.803  -3.427
  273   2HG2  VAL  33          2HG2      VAL  33  -3.723  -0.538  -4.403
  274   3HG2  VAL  33          3HG2      VAL  33  -2.532   0.575  -5.073
  275    H    CYS  34           H        CYS  34  -2.058  -4.358  -2.602
  276    HA   CYS  34           HA       CYS  34   0.164  -4.417  -0.663
  277   1HB   CYS  34          2HB       CYS  34  -1.180  -6.665  -2.186
  278   2HB   CYS  34          1HB       CYS  34  -0.287  -6.791  -0.669
  279    H    ASP  35           H        ASP  35   2.175  -5.602  -1.164
  280    HA   ASP  35           HA       ASP  35   3.600  -4.753  -3.401
  281   1HB   ASP  35          2HB       ASP  35   3.806  -6.725  -1.287
  282   2HB   ASP  35          1HB       ASP  35   4.531  -7.340  -2.772
  283    H    GLU  36           H        GLU  36   3.215  -5.108  -5.549
  284    HA   GLU  36           HA       GLU  36   1.339  -6.759  -6.744
  285   1HB   GLU  36          2HB       GLU  36   4.067  -5.777  -7.574
  286   2HB   GLU  36          1HB       GLU  36   3.079  -6.726  -8.686
  287   1HG   GLU  36          2HG       GLU  36   1.224  -4.948  -7.847
  288   2HG   GLU  36          1HG       GLU  36   2.675  -3.956  -7.689
  289    H    GLY  37           H        GLY  37   4.721  -7.647  -5.980
  290   1HA   GLY  37          2HA       GLY  37   4.203 -10.429  -6.821
  291   2HA   GLY  37          1HA       GLY  37   5.757  -9.780  -6.297
  292    H    TYR  38           H        TYR  38   2.565  -9.758  -4.686
  293    HA   TYR  38           HA       TYR  38   3.868 -11.197  -2.399
  294   1HB   TYR  38          2HB       TYR  38   2.993  -9.616  -0.968
  295   2HB   TYR  38          1HB       TYR  38   3.080  -8.618  -2.416
  296    HD1  TYR  38           HD1      TYR  38   1.030  -9.316   0.227
  297    HD2  TYR  38           HD2      TYR  38   0.890  -9.225  -4.065
  298    HE1  TYR  38           HE1      TYR  38  -1.428  -8.996   0.312
  299    HE2  TYR  38           HE2      TYR  38  -1.566  -8.903  -3.979
  300    HH   TYR  38           HH       TYR  38  -3.241  -8.352  -0.933
  301    H    ILE  39           H        ILE  39   2.122 -12.279  -0.968
  302    HA   ILE  39           HA       ILE  39  -0.288 -13.151  -2.470
  303    HB   ILE  39           HB       ILE  39   2.011 -14.905  -1.568
  304   1HG1  ILE  39          2HG1      ILE  39   0.634 -14.435  -4.231
  305   2HG1  ILE  39          1HG1      ILE  39   2.269 -13.941  -3.793
  306   1HG2  ILE  39          1HG2      ILE  39  -0.790 -15.675  -2.442
  307   2HG2  ILE  39          2HG2      ILE  39  -0.046 -15.999  -0.875
  308   3HG2  ILE  39          3HG2      ILE  39   0.557 -16.808  -2.321
  309   1HD1  ILE  39          1HD1      ILE  39   1.453 -16.835  -3.625
  310   2HD1  ILE  39          2HD1      ILE  39   3.071 -16.150  -3.785
  311   3HD1  ILE  39          3HD1      ILE  39   1.968 -16.136  -5.161
  312    H    GLY  40           H        GLY  40  -1.940 -13.895  -1.062
  313   1HA   GLY  40          2HA       GLY  40  -2.484 -14.873   1.194
  314   2HA   GLY  40          1HA       GLY  40  -1.289 -13.758   1.857
  315    H    ALA  41           H        ALA  41  -3.812 -13.646   2.909
  316    HA   ALA  41           HA       ALA  41  -5.377 -11.563   1.522
  317   1HB   ALA  41          1HB       ALA  41  -6.801 -13.036   2.572
  318   2HB   ALA  41          2HB       ALA  41  -6.573 -11.921   3.918
  319   3HB   ALA  41          3HB       ALA  41  -5.636 -13.414   3.841
  320    H    ARG  42           H        ARG  42  -3.417 -11.896   4.486
  321    HA   ARG  42           HA       ARG  42  -3.756  -9.009   5.087
  322   1HB   ARG  42          2HB       ARG  42  -2.934 -11.497   6.454
  323   2HB   ARG  42          1HB       ARG  42  -2.036 -10.062   6.946
  324   1HG   ARG  42          2HG       ARG  42  -4.336  -8.916   7.157
  325   2HG   ARG  42          1HG       ARG  42  -5.012 -10.543   7.087
  326   1HD   ARG  42          2HD       ARG  42  -4.364 -11.013   9.217
  327   2HD   ARG  42          1HD       ARG  42  -2.758 -10.299   8.968
  328    HE   ARG  42           HE       ARG  42  -5.073  -8.449   9.182
  329   1HH1  ARG  42          1HH1      ARG  42  -1.800  -8.799   9.650
  330   2HH1  ARG  42          2HH1      ARG  42  -1.748  -8.044  11.208
  331   1HH2  ARG  42          1HH2      ARG  42  -5.195  -7.921  11.559
  332   2HH2  ARG  42          2HH2      ARG  42  -3.670  -7.548  12.289
  333    H    CYS  43           H        CYS  43  -1.944 -10.570   2.923
  334    HA   CYS  43           HA       CYS  43   0.049  -9.977   1.795
  335   1HB   CYS  43          2HB       CYS  43   0.242  -7.699   3.776
  336   2HB   CYS  43          1HB       CYS  43   0.787  -7.735   2.102
  337    H    GLU  44           H        GLU  44   0.424 -12.011   3.518
  338    HA   GLU  44           HA       GLU  44   2.791 -11.256   5.196
  339   1HB   GLU  44          2HB       GLU  44   2.192 -13.459   6.334
  340   2HB   GLU  44          1HB       GLU  44   0.990 -12.178   6.492
  341   1HG   GLU  44          2HG       GLU  44  -0.553 -13.329   5.299
  342   2HG   GLU  44          1HG       GLU  44   0.628 -13.807   4.079
  343    H    ARG  45           H        ARG  45   1.645 -13.295   2.577
  344    HA   ARG  45           HA       ARG  45   4.118 -14.918   2.553
  345   1HB   ARG  45          2HB       ARG  45   1.583 -15.501   1.987
  346   2HB   ARG  45          1HB       ARG  45   2.048 -14.921   0.386
  347   1HG   ARG  45          2HG       ARG  45   4.136 -16.618   1.361
  348   2HG   ARG  45          1HG       ARG  45   2.601 -17.464   1.558
  349   1HD   ARG  45          2HD       ARG  45   2.125 -16.643  -0.891
  350   2HD   ARG  45          1HD       ARG  45   3.889 -16.462  -0.972
  351    HE   ARG  45           HE       ARG  45   2.483 -19.026  -0.341
  352   1HH1  ARG  45          1HH2      ARG  45   5.345 -18.578   0.676
  353   2HH1  ARG  45          2HH2      ARG  45   6.259 -19.346  -0.579
  354   1HH2  ARG  45          1HH1      ARG  45   3.612 -19.429  -2.819
  355   2HH2  ARG  45          2HH1      ARG  45   5.277 -19.828  -2.557
  356    H    VAL  46           H        VAL  46   5.630 -14.849   0.800
  357    HA   VAL  46           HA       VAL  46   5.449 -12.418  -0.951
  358    HB   VAL  46           HB       VAL  46   7.060 -11.957   0.741
  359   1HG1  VAL  46          1HG1      VAL  46   7.376 -14.005   1.852
  360   2HG1  VAL  46          2HG1      VAL  46   8.943 -13.731   1.089
  361   3HG1  VAL  46          3HG1      VAL  46   7.791 -14.855   0.364
  362   1HG2  VAL  46          1HG2      VAL  46   8.930 -13.166  -1.252
  363   2HG2  VAL  46          2HG2      VAL  46   8.927 -11.545  -0.557
  364   3HG2  VAL  46          3HG2      VAL  46   7.784 -11.960  -1.835
  365    H    ASP  47           H        ASP  47   5.987 -12.778  -3.113
  366    HA   ASP  47           HA       ASP  47   7.217 -15.390  -3.862
  367   1HB   ASP  47          2HB       ASP  47   4.464 -14.819  -3.922
  368   2HB   ASP  47          1HB       ASP  47   4.998 -14.679  -5.598
  369    H    LEU  48           H        LEU  48   8.857 -13.409  -4.137
  370    HA   LEU  48           HA       LEU  48   8.498 -12.304  -6.904
  371   1HB   LEU  48          2HB       LEU  48   9.376 -10.298  -6.137
  372   2HB   LEU  48          1HB       LEU  48   8.614 -10.873  -4.659
  373    HG   LEU  48           HG       LEU  48  11.099 -12.056  -4.507
  374   1HD1  LEU  48          1HD1      LEU  48  12.056 -10.924  -6.375
  375   2HD1  LEU  48          2HD1      LEU  48  12.643 -10.065  -4.952
  376   3HD1  LEU  48          3HD1      LEU  48  11.326  -9.387  -5.909
  377   1HD2  LEU  48          1HD2      LEU  48   9.761 -10.721  -2.796
  378   2HD2  LEU  48          2HD2      LEU  48  10.475  -9.270  -3.499
  379   3HD2  LEU  48          3HD2      LEU  48  11.508 -10.482  -2.742
  380    H    PHE  49           H        PHE  49  10.298 -14.454  -4.999
  381    HA   PHE  49           HA       PHE  49  12.936 -14.177  -6.071
  382   1HB   PHE  49          2HB       PHE  49  11.352 -16.013  -4.467
  383   2HB   PHE  49          1HB       PHE  49  12.440 -16.895  -5.538
  384    HD1  PHE  49           HD1      PHE  49  14.653 -17.219  -4.879
  385    HD2  PHE  49           HD2      PHE  49  12.429 -13.932  -3.235
  386    HE1  PHE  49           HE1      PHE  49  16.564 -16.668  -3.396
  387    HE2  PHE  49           HE2      PHE  49  14.339 -13.381  -1.752
  388    HZ   PHE  49           HZ       PHE  49  16.407 -14.749  -1.833
  389    H    TYR  50           H        TYR  50  10.808 -16.933  -6.843
  390    HA   TYR  50           HA       TYR  50  12.020 -17.135  -9.522
  391   1HB   TYR  50          2HB       TYR  50   9.796 -18.758  -8.255
  392   2HB   TYR  50          1HB       TYR  50  10.886 -19.261  -9.548
  393    HD1  TYR  50           HD1      TYR  50  13.502 -18.365  -8.630
  394    HD2  TYR  50           HD2      TYR  50  10.275 -20.109  -6.395
  395    HE1  TYR  50           HE1      TYR  50  15.121 -19.202  -6.947
  396    HE2  TYR  50           HE2      TYR  50  11.894 -20.946  -4.712
  397    HH   TYR  50           HH       TYR  50  14.659 -21.526  -4.951
  Start of MODEL   16
    1   1H    ARG   1          H1        ARG   1  -0.319  18.241  -9.886
    2   2H    ARG   1          H2        ARG   1  -1.115  19.742  -9.905
    3   3H    ARG   1          H3        ARG   1   0.509  19.632 -10.391
    4    HA   ARG   1           HA       ARG   1  -1.918  18.994 -11.875
    5   1HB   ARG   1          2HB       ARG   1   0.893  20.010 -12.377
    6   2HB   ARG   1          1HB       ARG   1  -0.283  19.773 -13.669
    7   1HG   ARG   1          2HG       ARG   1  -1.864  21.251 -12.298
    8   2HG   ARG   1          1HG       ARG   1  -0.453  21.678 -11.328
    9   1HD   ARG   1          2HD       ARG   1  -0.071  21.858 -14.269
   10   2HD   ARG   1          1HD       ARG   1  -1.165  23.061 -13.554
   11    HE   ARG   1           HE       ARG   1   0.967  23.020 -11.798
   12   1HH1  ARG   1          1HH2      ARG   1   0.106  24.803 -14.390
   13   2HH1  ARG   1          2HH2      ARG   1   1.704  25.205 -14.925
   14   1HH2  ARG   1          1HH1      ARG   1   3.265  22.923 -12.831
   15   2HH2  ARG   1          2HH1      ARG   1   3.492  24.140 -14.044
   16    H    LYS   2           H        LYS   2   1.182  17.544 -11.044
   17    HA   LYS   2           HA       LYS   2   0.700  15.354 -13.027
   18   1HB   LYS   2          2HB       LYS   2   3.166  16.125 -11.430
   19   2HB   LYS   2          1HB       LYS   2   3.101  14.933 -12.728
   20   1HG   LYS   2          2HG       LYS   2   2.441  16.683 -14.324
   21   2HG   LYS   2          1HG       LYS   2   2.466  17.883 -13.032
   22   1HD   LYS   2          2HD       LYS   2   4.599  18.208 -13.825
   23   2HD   LYS   2          1HD       LYS   2   4.939  16.882 -12.712
   24   1HE   LYS   2          2HE       LYS   2   5.714  15.689 -14.476
   25   2HE   LYS   2          1HE       LYS   2   4.068  15.686 -15.138
   26   1HZ   LYS   2          1HZ       LYS   2   5.606  16.755 -16.673
   27   2HZ   LYS   2          2HZ       LYS   2   6.065  17.864 -15.469
   28   3HZ   LYS   2          3HZ       LYS   2   4.479  17.876 -16.081
   29    H    GLY   3           H        GLY   3  -0.286  15.905 -10.042
   30   1HA   GLY   3          2HA       GLY   3  -1.203  13.854  -8.882
   31   2HA   GLY   3          1HA       GLY   3   0.414  13.168  -9.052
   32    H    HIS   4           H        HIS   4  -1.130  13.744  -6.576
   33    HA   HIS   4           HA       HIS   4   1.034  14.951  -5.046
   34   1HB   HIS   4          2HB       HIS   4  -0.330  16.922  -4.325
   35   2HB   HIS   4          1HB       HIS   4   0.037  16.949  -6.050
   36    HD1  HIS   4           HD1      HIS   4  -2.695  17.564  -3.921
   37    HD2  HIS   4           HD2      HIS   4  -2.294  15.396  -7.460
   38    HE1  HIS   4           HE1      HIS   4  -5.024  17.334  -4.888
   39    H    PHE   5           H        PHE   5   0.125  12.522  -4.529
   40    HA   PHE   5           HA       PHE   5  -2.052  12.711  -2.492
   41   1HB   PHE   5          2HB       PHE   5  -0.685  10.285  -3.696
   42   2HB   PHE   5          1HB       PHE   5  -2.218  10.317  -2.824
   43    HD1  PHE   5           HD1      PHE   5  -4.155  11.661  -3.814
   44    HD2  PHE   5           HD2      PHE   5  -0.608  10.680  -6.029
   45    HE1  PHE   5           HE1      PHE   5  -5.357  12.110  -5.936
   46    HE2  PHE   5           HE2      PHE   5  -1.809  11.128  -8.152
   47    HZ   PHE   5           HZ       PHE   5  -4.184  11.843  -8.106
   48    H    SER   6           H        SER   6  -1.184  10.327  -1.095
   49    HA   SER   6           HA       SER   6   1.468  11.055   0.046
   50   1HB   SER   6          2HB       SER   6  -0.979  11.910   1.106
   51   2HB   SER   6          1HB       SER   6  -0.523  10.538   2.111
   52    HG   SER   6           HG       SER   6   1.290  11.564   2.706
   53    H    ARG   7           H        ARG   7   2.553   9.241   0.811
   54    HA   ARG   7           HA       ARG   7   1.313   6.614   0.309
   55   1HB   ARG   7          2HB       ARG   7   3.526   5.856   0.307
   56   2HB   ARG   7          1HB       ARG   7   3.735   7.533  -0.190
   57   1HG   ARG   7          2HG       ARG   7   4.309   8.183   2.094
   58   2HG   ARG   7          1HG       ARG   7   3.977   6.550   2.671
   59   1HD   ARG   7          2HD       ARG   7   5.821   5.652   1.344
   60   2HD   ARG   7          1HD       ARG   7   6.116   7.250   0.628
   61    HE   ARG   7           HE       ARG   7   6.176   7.046   3.589
   62   1HH1  ARG   7          1HH1      ARG   7   7.228   9.238   1.615
   63   2HH1  ARG   7          2HH1      ARG   7   8.934   9.036   1.839
   64   1HH2  ARG   7          1HH2      ARG   7   8.628   5.974   3.437
   65   2HH2  ARG   7          2HH2      ARG   7   9.726   7.188   2.871
   66    H    CYS   8           H        CYS   8   1.041   4.997   1.945
   67    HA   CYS   8           HA       CYS   8   0.443   6.056   4.622
   68   1HB   CYS   8          2HB       CYS   8   0.078   3.510   3.076
   69   2HB   CYS   8          1HB       CYS   8  -0.101   3.470   4.829
   70    HA   PRO   9           HA       PRO   9   4.497   4.909   6.076
   71   1HB   PRO   9          2HB       PRO   9   4.083   5.590   8.693
   72   2HB   PRO   9          1HB       PRO   9   4.395   6.789   7.422
   73   1HG   PRO   9          2HG       PRO   9   1.823   5.997   8.685
   74   2HG   PRO   9          1HG       PRO   9   2.380   7.592   8.162
   75   1HD   PRO   9          2HD       PRO   9   0.624   6.049   6.739
   76   2HD   PRO   9          1HD       PRO   9   1.689   7.270   6.009
   77    H    LYS  10           H        LYS  10   5.355   3.328   7.699
   78    HA   LYS  10           HA       LYS  10   3.882   0.877   7.764
   79   1HB   LYS  10          2HB       LYS  10   5.752   0.155   9.184
   80   2HB   LYS  10          1HB       LYS  10   6.358   1.167   7.872
   81   1HG   LYS  10          2HG       LYS  10   6.431   3.107   9.356
   82   2HG   LYS  10          1HG       LYS  10   5.736   2.156  10.669
   83   1HD   LYS  10          2HD       LYS  10   7.887   0.612   9.888
   84   2HD   LYS  10          1HD       LYS  10   8.505   2.253   9.698
   85   1HE   LYS  10          2HE       LYS  10   8.943   1.504  11.988
   86   2HE   LYS  10          1HE       LYS  10   7.682   2.752  12.036
   87   1HZ   LYS  10          1HZ       LYS  10   6.071   1.251  12.489
   88   2HZ   LYS  10          2HZ       LYS  10   7.364   0.366  13.146
   89   3HZ   LYS  10          3HZ       LYS  10   6.797   0.015  11.583
   90    H    GLN  11           H        GLN  11   4.116   3.565  10.034
   91    HA   GLN  11           HA       GLN  11   3.074   2.290  12.368
   92   1HB   GLN  11          2HB       GLN  11   4.152   4.641  11.876
   93   2HB   GLN  11          1HB       GLN  11   2.480   5.141  11.613
   94   1HG   GLN  11          2HG       GLN  11   2.520   5.495  13.871
   95   2HG   GLN  11          1HG       GLN  11   2.201   3.761  13.933
   96   1HE2  GLN  11          1HE2      GLN  11   4.081   2.316  14.319
   97   2HE2  GLN  11          2HE2      GLN  11   5.488   2.925  15.048
   98    H    TYR  12           H        TYR  12   1.510   3.464   9.452
   99    HA   TYR  12           HA       TYR  12  -1.168   2.919  10.692
  100   1HB   TYR  12          2HB       TYR  12  -0.038   4.962   8.901
  101   2HB   TYR  12          1HB       TYR  12  -1.580   4.311   8.342
  102    HD1  TYR  12           HD1      TYR  12   0.031   6.532  10.661
  103    HD2  TYR  12           HD2      TYR  12  -3.522   4.203  10.027
  104    HE1  TYR  12           HE1      TYR  12  -1.161   7.891  12.359
  105    HE2  TYR  12           HE2      TYR  12  -4.714   5.562  11.724
  106    HH   TYR  12           HH       TYR  12  -4.420   7.052  13.422
  107    H    LYS  13           H        LYS  13   1.046   1.331   8.929
  108    HA   LYS  13           HA       LYS  13  -0.720   0.364   6.757
  109   1HB   LYS  13          2HB       LYS  13   2.096   0.521   7.382
  110   2HB   LYS  13          1HB       LYS  13   1.673  -1.138   6.961
  111   1HG   LYS  13          2HG       LYS  13   0.935  -0.550   4.821
  112   2HG   LYS  13          1HG       LYS  13   0.658   1.133   5.274
  113   1HD   LYS  13          2HD       LYS  13   2.638   1.253   4.012
  114   2HD   LYS  13          1HD       LYS  13   3.232   1.207   5.672
  115   1HE   LYS  13          2HE       LYS  13   3.204  -1.421   5.267
  116   2HE   LYS  13          1HE       LYS  13   3.339  -0.926   3.569
  117   1HZ   LYS  13          1HZ       LYS  13   5.498  -1.131   4.873
  118   2HZ   LYS  13          2HZ       LYS  13   5.018   0.283   5.685
  119   3HZ   LYS  13          3HZ       LYS  13   5.262   0.306   4.003
  120    H    HIS  14           H        HIS  14  -1.887  -0.239   9.204
  121    HA   HIS  14           HA       HIS  14  -1.074  -2.947  10.040
  122   1HB   HIS  14          2HB       HIS  14  -3.105  -0.872  10.830
  123   2HB   HIS  14          1HB       HIS  14  -3.268  -2.522  11.431
  124    HD1  HIS  14           HD1      HIS  14  -1.969  -3.032  13.498
  125    HD2  HIS  14           HD2      HIS  14  -0.334   0.188  11.418
  126    HE1  HIS  14           HE1      HIS  14  -0.040  -2.179  14.900
  127    H    TYR  15           H        TYR  15  -3.055  -1.558   7.650
  128    HA   TYR  15           HA       TYR  15  -4.959  -3.814   7.522
  129   1HB   TYR  15          2HB       TYR  15  -5.689  -2.490   5.451
  130   2HB   TYR  15          1HB       TYR  15  -5.830  -1.643   6.990
  131    HD1  TYR  15           HD1      TYR  15  -4.703   0.393   7.356
  132    HD2  TYR  15           HD2      TYR  15  -3.567  -2.101   4.050
  133    HE1  TYR  15           HE1      TYR  15  -3.225   2.193   6.507
  134    HE2  TYR  15           HE2      TYR  15  -2.086  -0.302   3.201
  135    HH   TYR  15           HH       TYR  15  -0.838   1.731   4.317
  136    H    CYS  16           H        CYS  16  -1.797  -3.120   6.490
  137    HA   CYS  16           HA       CYS  16  -1.725  -5.541   4.824
  138   1HB   CYS  16          2HB       CYS  16  -1.730  -2.749   3.759
  139   2HB   CYS  16          1HB       CYS  16  -0.659  -3.915   2.982
  140    H    ILE  17           H        ILE  17   0.243  -6.473   5.245
  141    HA   ILE  17           HA       ILE  17   2.336  -4.903   6.608
  142    HB   ILE  17           HB       ILE  17   2.296  -7.808   5.742
  143   1HG1  ILE  17          2HG1      ILE  17   1.440  -6.746   8.438
  144   2HG1  ILE  17          1HG1      ILE  17   0.280  -6.984   7.130
  145   1HG2  ILE  17          1HG2      ILE  17   3.569  -6.897   8.261
  146   2HG2  ILE  17          2HG2      ILE  17   4.354  -6.369   6.773
  147   3HG2  ILE  17          3HG2      ILE  17   4.125  -8.089   7.087
  148   1HD1  ILE  17          1HD1      ILE  17   1.057  -8.929   8.928
  149   2HD1  ILE  17          2HD1      ILE  17   2.071  -9.277   7.528
  150   3HD1  ILE  17          3HD1      ILE  17   0.316  -9.238   7.358
  151    H    LYS  18           H        LYS  18   2.465  -7.225   3.876
  152    HA   LYS  18           HA       LYS  18   4.846  -5.825   2.815
  153   1HB   LYS  18          2HB       LYS  18   4.943  -7.791   1.343
  154   2HB   LYS  18          1HB       LYS  18   4.686  -8.302   3.012
  155   1HG   LYS  18          2HG       LYS  18   2.287  -8.557   2.597
  156   2HG   LYS  18          1HG       LYS  18   2.489  -7.965   0.948
  157   1HD   LYS  18          2HD       LYS  18   3.579 -10.526   2.134
  158   2HD   LYS  18          1HD       LYS  18   2.432 -10.357   0.804
  159   1HE   LYS  18          2HE       LYS  18   4.310 -10.597  -0.498
  160   2HE   LYS  18          1HE       LYS  18   4.550  -8.877  -0.129
  161   1HZ   LYS  18          1HZ       LYS  18   6.408 -10.572   0.460
  162   2HZ   LYS  18          2HZ       LYS  18   5.424 -10.921   1.800
  163   3HZ   LYS  18          3HZ       LYS  18   6.016  -9.346   1.563
  164    H    GLY  19           H        GLY  19   2.691  -4.108   2.611
  165   1HA   GLY  19          2HA       GLY  19   2.466  -3.816  -0.296
  166   2HA   GLY  19          1HA       GLY  19   0.931  -4.138   0.511
  167    H    ARG  20           H        ARG  20   2.264  -1.661  -0.820
  168    HA   ARG  20           HA       ARG  20   2.232   0.283   1.412
  169   1HB   ARG  20          2HB       ARG  20   2.831   0.295  -1.547
  170   2HB   ARG  20          1HB       ARG  20   2.668   1.812  -0.662
  171   1HG   ARG  20          2HG       ARG  20   4.344  -0.073   0.783
  172   2HG   ARG  20          1HG       ARG  20   4.973   0.234  -0.837
  173   1HD   ARG  20          2HD       ARG  20   4.980   2.636  -0.441
  174   2HD   ARG  20          1HD       ARG  20   4.189   2.412   1.132
  175    HE   ARG  20           HE       ARG  20   6.253   1.650   2.016
  176   1HH1  ARG  20          1HH1      ARG  20   7.536   3.448  -0.047
  177   2HH1  ARG  20          2HH1      ARG  20   8.667   2.371  -0.794
  178   1HH2  ARG  20          1HH2      ARG  20   7.170  -0.496   0.459
  179   2HH2  ARG  20          2HH2      ARG  20   8.460   0.137  -0.508
  180    H    CYS  21           H        CYS  21   0.928   2.441   0.673
  181    HA   CYS  21           HA       CYS  21  -1.595   1.844  -0.722
  182   1HB   CYS  21          2HB       CYS  21  -2.062   0.856   1.415
  183   2HB   CYS  21          1HB       CYS  21  -1.367   2.232   2.270
  184    H    ARG  22           H        ARG  22  -2.139   3.704  -1.766
  185    HA   ARG  22           HA       ARG  22  -0.970   6.282  -0.874
  186   1HB   ARG  22          2HB       ARG  22  -2.507   5.365  -3.327
  187   2HB   ARG  22          1HB       ARG  22  -1.878   6.998  -3.115
  188   1HG   ARG  22          2HG       ARG  22   0.201   6.355  -3.703
  189   2HG   ARG  22          1HG       ARG  22   0.169   5.012  -2.559
  190   1HD   ARG  22          2HD       ARG  22   0.252   3.786  -4.523
  191   2HD   ARG  22          1HD       ARG  22  -1.505   4.023  -4.448
  192    HE   ARG  22           HE       ARG  22  -1.281   5.424  -6.328
  193   1HH1  ARG  22          1HH2      ARG  22   1.769   4.857  -4.892
  194   2HH1  ARG  22          2HH2      ARG  22   2.578   6.116  -5.764
  195   1HH2  ARG  22          1HH1      ARG  22  -0.311   7.276  -7.292
  196   2HH2  ARG  22          2HH1      ARG  22   1.400   7.487  -7.122
  197    H    PHE  23           H        PHE  23  -2.205   7.397   0.603
  198    HA   PHE  23           HA       PHE  23  -5.159   7.057   0.596
  199   1HB   PHE  23          2HB       PHE  23  -3.452   6.964   2.599
  200   2HB   PHE  23          1HB       PHE  23  -3.563   8.723   2.525
  201    HD1  PHE  23           HD1      PHE  23  -6.215   9.445   2.010
  202    HD2  PHE  23           HD2      PHE  23  -4.831   6.035   4.225
  203    HE1  PHE  23           HE1      PHE  23  -8.373   9.361   3.230
  204    HE2  PHE  23           HE2      PHE  23  -6.988   5.951   5.444
  205    HZ   PHE  23           HZ       PHE  23  -8.759   7.614   4.947
  206    H    VAL  24           H        VAL  24  -6.192   8.468  -0.788
  207    HA   VAL  24           HA       VAL  24  -5.047  11.105  -1.416
  208    HB   VAL  24           HB       VAL  24  -7.750   9.943  -2.137
  209   1HG1  VAL  24          1HG1      VAL  24  -7.923  11.778  -3.427
  210   2HG1  VAL  24          2HG1      VAL  24  -6.387  11.403  -4.208
  211   3HG1  VAL  24          3HG1      VAL  24  -6.414  12.375  -2.737
  212   1HG2  VAL  24          1HG2      VAL  24  -6.055   9.472  -4.276
  213   2HG2  VAL  24          2HG2      VAL  24  -6.584   8.258  -3.111
  214   3HG2  VAL  24          3HG2      VAL  24  -5.043   9.085  -2.885
  215    H    VAL  25           H        VAL  25  -5.376  12.794  -0.037
  216    HA   VAL  25           HA       VAL  25  -7.386  12.764   2.059
  217    HB   VAL  25           HB       VAL  25  -5.766  15.094   0.996
  218   1HG1  VAL  25          1HG1      VAL  25  -7.624  15.131   2.923
  219   2HG1  VAL  25          2HG1      VAL  25  -6.147  16.087   3.043
  220   3HG1  VAL  25          3HG1      VAL  25  -6.270  14.543   3.887
  221   1HG2  VAL  25          1HG2      VAL  25  -4.241  14.121   2.997
  222   2HG2  VAL  25          2HG2      VAL  25  -4.018  13.635   1.316
  223   3HG2  VAL  25          3HG2      VAL  25  -4.939  12.609   2.416
  224    H    ALA  26           H        ALA  26  -6.913  15.194  -0.544
  225    HA   ALA  26           HA       ALA  26  -9.321  16.537  -0.453
  226   1HB   ALA  26          1HB       ALA  26  -8.897  17.073  -2.745
  227   2HB   ALA  26          2HB       ALA  26  -8.119  15.517  -3.038
  228   3HB   ALA  26          3HB       ALA  26  -7.312  16.735  -2.051
  229    H    GLU  27           H        GLU  27  -8.828  13.716  -2.604
  230    HA   GLU  27           HA       GLU  27 -11.764  13.208  -2.545
  231   1HB   GLU  27          2HB       GLU  27  -9.994  13.326  -4.585
  232   2HB   GLU  27          1HB       GLU  27  -9.855  11.611  -4.191
  233   1HG   GLU  27          2HG       GLU  27 -11.600  11.775  -5.821
  234   2HG   GLU  27          1HG       GLU  27 -12.402  11.519  -4.271
  235    H    GLN  28           H        GLN  28 -11.808  12.278  -0.391
  236    HA   GLN  28           HA       GLN  28 -10.292  10.466   0.929
  237   1HB   GLN  28          2HB       GLN  28 -13.247  10.658   0.435
  238   2HB   GLN  28          1HB       GLN  28 -12.629   9.338   1.430
  239   1HG   GLN  28          2HG       GLN  28 -11.380  11.849   2.169
  240   2HG   GLN  28          1HG       GLN  28 -13.137  11.971   2.266
  241   1HE2  GLN  28          1HE2      GLN  28 -13.228  11.889   4.601
  242   2HE2  GLN  28          2HE2      GLN  28 -12.820  10.490   5.470
  243    H    THR  29           H        THR  29  -9.004   9.146  -0.495
  244    HA   THR  29           HA       THR  29 -10.461   6.738  -1.496
  245    HB   THR  29           HB       THR  29  -8.673   8.615  -3.055
  246    HG1  THR  29           1HG      THR  29 -10.649   9.207  -3.501
  247   1HG2  THR  29          1HG2      THR  29  -8.926   5.726  -3.267
  248   2HG2  THR  29          2HG2      THR  29  -7.833   6.817  -4.120
  249   3HG2  THR  29          3HG2      THR  29  -9.459   6.532  -4.743
  250    HA   PRO  30           HA       PRO  30  -6.553   5.661   0.666
  251   1HB   PRO  30          2HB       PRO  30  -7.643   3.699   2.226
  252   2HB   PRO  30          1HB       PRO  30  -7.652   5.413   2.687
  253   1HG   PRO  30          2HG       PRO  30  -9.839   3.736   1.598
  254   2HG   PRO  30          1HG       PRO  30  -9.907   5.079   2.747
  255   1HD   PRO  30          2HD       PRO  30 -10.563   5.240   0.060
  256   2HD   PRO  30          1HD       PRO  30 -10.151   6.621   1.099
  257    H    SER  31           H        SER  31  -6.005   4.788  -1.525
  258    HA   SER  31           HA       SER  31  -6.958   2.060  -2.163
  259   1HB   SER  31          2HB       SER  31  -4.812   3.557  -3.638
  260   2HB   SER  31          1HB       SER  31  -6.084   2.523  -4.280
  261    HG   SER  31           HG       SER  31  -6.541   4.715  -4.662
  262    H    CYS  32           H        CYS  32  -5.744   0.223  -1.757
  263    HA   CYS  32           HA       CYS  32  -2.996   0.633  -0.628
  264   1HB   CYS  32          2HB       CYS  32  -4.480  -0.248   1.017
  265   2HB   CYS  32          1HB       CYS  32  -5.202  -1.376  -0.132
  266    H    VAL  33           H        VAL  33  -1.418  -0.013  -2.016
  267    HA   VAL  33           HA       VAL  33  -2.041  -2.099  -4.064
  268    HB   VAL  33           HB       VAL  33   0.356  -0.255  -3.858
  269   1HG1  VAL  33          1HG1      VAL  33   0.203  -0.580  -6.399
  270   2HG1  VAL  33          2HG1      VAL  33  -0.937  -1.881  -6.055
  271   3HG1  VAL  33          3HG1      VAL  33   0.720  -1.981  -5.460
  272   1HG2  VAL  33          1HG2      VAL  33  -1.480   1.250  -3.874
  273   2HG2  VAL  33          2HG2      VAL  33  -2.412   0.228  -4.969
  274   3HG2  VAL  33          3HG2      VAL  33  -1.010   1.115  -5.569
  275    H    CYS  34           H        CYS  34  -1.430  -4.129  -3.408
  276    HA   CYS  34           HA       CYS  34   0.693  -4.483  -1.389
  277   1HB   CYS  34          2HB       CYS  34  -0.918  -6.551  -2.909
  278   2HB   CYS  34          1HB       CYS  34  -0.134  -6.745  -1.341
  279    H    ASP  35           H        ASP  35   2.537  -5.922  -1.796
  280    HA   ASP  35           HA       ASP  35   4.042  -5.385  -4.112
  281   1HB   ASP  35          2HB       ASP  35   4.046  -7.283  -1.847
  282   2HB   ASP  35          1HB       ASP  35   4.949  -7.834  -3.259
  283    H    GLU  36           H        GLU  36   3.771  -6.060  -6.199
  284    HA   GLU  36           HA       GLU  36   1.729  -7.570  -7.270
  285   1HB   GLU  36          2HB       GLU  36   4.645  -7.564  -8.119
  286   2HB   GLU  36          1HB       GLU  36   3.274  -7.942  -9.162
  287   1HG   GLU  36          2HG       GLU  36   3.956  -5.288  -7.881
  288   2HG   GLU  36          1HG       GLU  36   3.786  -5.655  -9.597
  289    H    GLY  37           H        GLY  37   4.865  -8.879  -6.134
  290   1HA   GLY  37          2HA       GLY  37   3.873 -11.633  -6.537
  291   2HA   GLY  37          1HA       GLY  37   5.506 -11.185  -6.044
  292    H    TYR  38           H        TYR  38   2.300 -10.406  -4.639
  293    HA   TYR  38           HA       TYR  38   3.333 -11.528  -2.056
  294   1HB   TYR  38          2HB       TYR  38   2.454  -9.673  -0.983
  295   2HB   TYR  38          1HB       TYR  38   2.788  -8.954  -2.553
  296    HD1  TYR  38           HD1      TYR  38   0.378  -9.203  -0.072
  297    HD2  TYR  38           HD2      TYR  38   0.757  -9.456  -4.344
  298    HE1  TYR  38           HE1      TYR  38  -2.033  -8.671  -0.322
  299    HE2  TYR  38           HE2      TYR  38  -1.649  -8.923  -4.591
  300    HH   TYR  38           HH       TYR  38  -3.418  -7.754  -3.248
  301    H    ILE  39           H        ILE  39   1.677 -12.524  -0.661
  302    HA   ILE  39           HA       ILE  39  -0.852 -13.308  -2.036
  303    HB   ILE  39           HB       ILE  39   1.110 -15.221  -0.733
  304   1HG1  ILE  39          2HG1      ILE  39   1.937 -14.227  -2.881
  305   2HG1  ILE  39          1HG1      ILE  39   1.642 -15.962  -2.993
  306   1HG2  ILE  39          1HG2      ILE  39  -1.280 -15.893  -0.642
  307   2HG2  ILE  39          2HG2      ILE  39  -0.342 -16.952  -1.696
  308   3HG2  ILE  39          3HG2      ILE  39  -1.383 -15.710  -2.393
  309   1HD1  ILE  39          1HD1      ILE  39  -0.378 -15.657  -4.193
  310   2HD1  ILE  39          2HD1      ILE  39   0.735 -14.490  -4.908
  311   3HD1  ILE  39          3HD1      ILE  39  -0.482 -13.954  -3.749
  312    H    GLY  40           H        GLY  40  -2.527 -13.874  -0.552
  313   1HA   GLY  40          2HA       GLY  40  -3.113 -14.504   1.812
  314   2HA   GLY  40          1HA       GLY  40  -1.892 -13.337   2.323
  315    H    ALA  41           H        ALA  41  -4.397 -12.990   3.334
  316    HA   ALA  41           HA       ALA  41  -5.982 -11.172   1.661
  317   1HB   ALA  41          1HB       ALA  41  -7.487 -12.041   3.104
  318   2HB   ALA  41          2HB       ALA  41  -6.766 -11.044   4.369
  319   3HB   ALA  41          3HB       ALA  41  -6.199 -12.695   4.115
  320    H    ARG  42           H        ARG  42  -4.029 -10.860   4.650
  321    HA   ARG  42           HA       ARG  42  -4.137  -7.896   4.388
  322   1HB   ARG  42          2HB       ARG  42  -3.362  -9.891   6.518
  323   2HB   ARG  42          1HB       ARG  42  -2.953  -8.182   6.682
  324   1HG   ARG  42          2HG       ARG  42  -5.487  -7.808   6.091
  325   2HG   ARG  42          1HG       ARG  42  -5.660  -9.482   6.624
  326   1HD   ARG  42          2HD       ARG  42  -4.020  -7.858   8.449
  327   2HD   ARG  42          1HD       ARG  42  -5.699  -7.300   8.314
  328    HE   ARG  42           HE       ARG  42  -6.429  -9.378   9.219
  329   1HH1  ARG  42          1HH2      ARG  42  -3.528  -9.061  10.427
  330   2HH1  ARG  42          2HH2      ARG  42  -3.000 -10.707  10.312
  331   1HH2  ARG  42          1HH1      ARG  42  -5.568 -11.660   8.185
  332   2HH2  ARG  42          2HH1      ARG  42  -4.154 -12.178   9.042
  333    H    CYS  43           H        CYS  43  -2.445  -9.827   2.682
  334    HA   CYS  43           HA       CYS  43  -0.283  -9.762   1.727
  335   1HB   CYS  43          2HB       CYS  43  -0.022  -7.226   3.366
  336   2HB   CYS  43          1HB       CYS  43   0.794  -7.611   1.850
  337    H    GLU  44           H        GLU  44   0.095 -11.648   3.281
  338    HA   GLU  44           HA       GLU  44   2.115 -10.893   5.369
  339   1HB   GLU  44          2HB       GLU  44  -0.271 -11.907   5.898
  340   2HB   GLU  44          1HB       GLU  44   0.501 -13.424   5.435
  341   1HG   GLU  44          2HG       GLU  44   2.007 -11.663   7.304
  342   2HG   GLU  44          1HG       GLU  44   0.589 -12.489   7.952
  343    H    ARG  45           H        ARG  45   1.146 -13.343   2.963
  344    HA   ARG  45           HA       ARG  45   3.833 -14.608   3.152
  345   1HB   ARG  45          2HB       ARG  45   1.358 -15.342   1.555
  346   2HB   ARG  45          1HB       ARG  45   2.758 -16.375   1.848
  347   1HG   ARG  45          2HG       ARG  45   2.287 -16.491   4.200
  348   2HG   ARG  45          1HG       ARG  45   1.065 -15.225   4.079
  349   1HD   ARG  45          2HD       ARG  45  -0.231 -17.203   4.115
  350   2HD   ARG  45          1HD       ARG  45  -0.086 -16.871   2.377
  351    HE   ARG  45           HE       ARG  45   2.173 -18.411   3.245
  352   1HH1  ARG  45          1HH2      ARG  45  -0.385 -18.580   1.210
  353   2HH1  ARG  45          2HH2      ARG  45  -0.722 -20.266   1.422
  354   1HH2  ARG  45          1HH1      ARG  45   1.395 -20.616   4.147
  355   2HH2  ARG  45          2HH1      ARG  45   0.286 -21.419   3.086
  356    H    VAL  46           H        VAL  46   4.576 -15.361   0.783
  357    HA   VAL  46           HA       VAL  46   4.193 -13.140  -1.176
  358    HB   VAL  46           HB       VAL  46   6.121 -12.514   0.129
  359   1HG1  VAL  46          1HG1      VAL  46   7.010 -15.381  -0.302
  360   2HG1  VAL  46          2HG1      VAL  46   6.561 -14.633   1.231
  361   3HG1  VAL  46          3HG1      VAL  46   8.030 -14.123   0.397
  362   1HG2  VAL  46          1HG2      VAL  46   7.224 -11.998  -1.767
  363   2HG2  VAL  46          2HG2      VAL  46   6.286 -13.219  -2.626
  364   3HG2  VAL  46          3HG2      VAL  46   7.826 -13.652  -1.884
  365    H    ASP  47           H        ASP  47   4.400 -13.837  -3.330
  366    HA   ASP  47           HA       ASP  47   4.575 -16.783  -3.721
  367   1HB   ASP  47          2HB       ASP  47   2.635 -15.611  -4.607
  368   2HB   ASP  47          1HB       ASP  47   3.672 -14.459  -5.449
  369    H    LEU  48           H        LEU  48   5.350 -14.586  -6.316
  370    HA   LEU  48           HA       LEU  48   8.269 -15.000  -6.025
  371   1HB   LEU  48          2HB       LEU  48   6.559 -16.728  -7.509
  372   2HB   LEU  48          1HB       LEU  48   7.489 -15.792  -8.679
  373    HG   LEU  48           HG       LEU  48   9.383 -16.439  -6.768
  374   1HD1  LEU  48          1HD1      LEU  48   7.301 -18.594  -6.981
  375   2HD1  LEU  48          2HD1      LEU  48   8.197 -18.050  -5.563
  376   3HD1  LEU  48          3HD1      LEU  48   8.995 -19.043  -6.783
  377   1HD2  LEU  48          1HD2      LEU  48   9.776 -16.518  -9.157
  378   2HD2  LEU  48          2HD2      LEU  48   8.613 -17.828  -9.351
  379   3HD2  LEU  48          3HD2      LEU  48  10.131 -18.116  -8.501
  380    H    PHE  49           H        PHE  49   9.367 -13.945  -8.060
  381    HA   PHE  49           HA       PHE  49   8.103 -11.299  -8.444
  382   1HB   PHE  49          2HB       PHE  49  10.731 -12.445  -8.287
  383   2HB   PHE  49          1HB       PHE  49  10.581 -11.589  -9.821
  384    HD1  PHE  49           HD1      PHE  49  10.314 -11.249  -6.140
  385    HD2  PHE  49           HD2      PHE  49  10.357  -9.195  -9.912
  386    HE1  PHE  49           HE1      PHE  49  10.538  -9.081  -4.956
  387    HE2  PHE  49           HE2      PHE  49  10.582  -7.027  -8.729
  388    HZ   PHE  49           HZ       PHE  49  10.673  -6.970  -6.251
  389    H    TYR  50           H        TYR  50   9.162 -14.082 -10.405
  390    HA   TYR  50           HA       TYR  50   8.841 -13.104 -13.000
  391   1HB   TYR  50          2HB       TYR  50   8.365 -15.728 -11.622
  392   2HB   TYR  50          1HB       TYR  50   7.942 -15.574 -13.326
  393    HD1  TYR  50           HD1      TYR  50   9.644 -15.256 -15.031
  394    HD2  TYR  50           HD2      TYR  50  10.698 -15.471 -10.872
  395    HE1  TYR  50           HE1      TYR  50  12.031 -15.519 -15.650
  396    HE2  TYR  50           HE2      TYR  50  13.085 -15.733 -11.491
  397    HH   TYR  50           HH       TYR  50  14.079 -16.093 -14.864
  Start of MODEL   17
    1   1H    ARG   1          H1        ARG   1   0.395  11.098 -16.509
    2   2H    ARG   1          H2        ARG   1  -1.130  10.451 -16.132
    3   3H    ARG   1          H3        ARG   1  -0.290   9.910 -17.506
    4    HA   ARG   1           HA       ARG   1  -0.267   8.451 -15.382
    5   1HB   ARG   1          2HB       ARG   1   2.097   7.838 -16.083
    6   2HB   ARG   1          1HB       ARG   1   0.947   7.970 -17.414
    7   1HG   ARG   1          2HG       ARG   1   1.840   9.988 -18.165
    8   2HG   ARG   1          1HG       ARG   1   2.519  10.391 -16.588
    9   1HD   ARG   1          2HD       ARG   1   4.266   8.726 -16.839
   10   2HD   ARG   1          1HD       ARG   1   3.524   8.112 -18.329
   11    HE   ARG   1           HE       ARG   1   5.167  10.482 -18.146
   12   1HH1  ARG   1          1HH2      ARG   1   4.194   8.614 -20.507
   13   2HH1  ARG   1          2HH2      ARG   1   3.491   9.818 -21.535
   14   1HH2  ARG   1          1HH1      ARG   1   3.471  12.276 -19.090
   15   2HH2  ARG   1          2HH1      ARG   1   3.081  11.891 -20.734
   16    H    LYS   2           H        LYS   2  -0.398  10.928 -14.059
   17    HA   LYS   2           HA       LYS   2   2.194  11.044 -12.553
   18   1HB   LYS   2          2HB       LYS   2   0.023  13.064 -13.166
   19   2HB   LYS   2          1HB       LYS   2   1.279  13.365 -11.965
   20   1HG   LYS   2          2HG       LYS   2   3.018  13.059 -13.659
   21   2HG   LYS   2          1HG       LYS   2   1.798  12.662 -14.870
   22   1HD   LYS   2          2HD       LYS   2   0.894  14.873 -14.825
   23   2HD   LYS   2          1HD       LYS   2   1.798  15.287 -13.367
   24   1HE   LYS   2          2HE       LYS   2   3.894  15.269 -14.559
   25   2HE   LYS   2          1HE       LYS   2   3.130  14.566 -15.999
   26   1HZ   LYS   2          1HZ       LYS   2   1.603  16.552 -15.944
   27   2HZ   LYS   2          2HZ       LYS   2   3.211  16.878 -16.384
   28   3HZ   LYS   2          3HZ       LYS   2   2.664  17.246 -14.818
   29    H    GLY   3           H        GLY   3   1.627  12.015 -10.204
   30   1HA   GLY   3          2HA       GLY   3  -0.816  11.530  -8.917
   31   2HA   GLY   3          1HA       GLY   3   0.060  10.000  -8.863
   32    H    HIS   4           H        HIS   4  -0.494  12.742  -7.125
   33    HA   HIS   4           HA       HIS   4   2.055  12.385  -5.593
   34   1HB   HIS   4          2HB       HIS   4   1.617  14.472  -7.258
   35   2HB   HIS   4          1HB       HIS   4   0.847  15.100  -5.800
   36    HD1  HIS   4           HD1      HIS   4   2.359  15.888  -3.931
   37    HD2  HIS   4           HD2      HIS   4   4.440  13.784  -6.866
   38    HE1  HIS   4           HE1      HIS   4   4.819  16.134  -3.380
   39    H    PHE   5           H        PHE   5   0.323  11.026  -4.371
   40    HA   PHE   5           HA       PHE   5  -1.478  12.732  -2.708
   41   1HB   PHE   5          2HB       PHE   5  -1.296   9.715  -2.975
   42   2HB   PHE   5          1HB       PHE   5  -2.629  10.639  -2.279
   43    HD1  PHE   5           HD1      PHE   5  -3.941  12.217  -3.770
   44    HD2  PHE   5           HD2      PHE   5  -1.151   9.342  -5.317
   45    HE1  PHE   5           HE1      PHE   5  -4.972  12.427  -6.015
   46    HE2  PHE   5           HE2      PHE   5  -2.182   9.551  -7.564
   47    HZ   PHE   5           HZ       PHE   5  -4.093  11.093  -7.912
   48    H    SER   6           H        SER   6  -1.518  10.523  -0.677
   49    HA   SER   6           HA       SER   6   1.084  11.163   0.675
   50   1HB   SER   6          2HB       SER   6  -1.441  10.401   2.110
   51   2HB   SER   6          1HB       SER   6  -0.132  11.449   2.648
   52    HG   SER   6           HG       SER   6  -2.186  11.972   0.776
   53    H    ARG   7           H        ARG   7   2.359   9.375   0.908
   54    HA   ARG   7           HA       ARG   7   1.290   6.676   0.506
   55   1HB   ARG   7          2HB       ARG   7   3.955   7.979   1.021
   56   2HB   ARG   7          1HB       ARG   7   3.801   6.226   1.141
   57   1HG   ARG   7          2HG       ARG   7   3.928   6.072  -1.098
   58   2HG   ARG   7          1HG       ARG   7   2.457   7.037  -1.236
   59   1HD   ARG   7          2HD       ARG   7   4.243   8.162  -2.470
   60   2HD   ARG   7          1HD       ARG   7   3.898   9.110  -1.010
   61    HE   ARG   7           HE       ARG   7   5.931   8.272  -0.020
   62   1HH1  ARG   7          1HH2      ARG   7   5.965   8.217  -3.339
   63   2HH1  ARG   7          2HH2      ARG   7   7.233   7.047  -3.501
   64   1HH2  ARG   7          1HH1      ARG   7   7.270   6.231  -0.130
   65   2HH2  ARG   7          2HH1      ARG   7   7.971   5.923  -1.685
   66    H    CYS   8           H        CYS   8   0.694   5.276   2.132
   67    HA   CYS   8           HA       CYS   8   0.577   6.198   4.888
   68   1HB   CYS   8          2HB       CYS   8  -0.552   4.196   3.198
   69   2HB   CYS   8          1HB       CYS   8   0.154   3.373   4.589
   70    HA   PRO   9           HA       PRO   9   4.631   4.721   5.942
   71   1HB   PRO   9          2HB       PRO   9   4.436   5.144   8.638
   72   2HB   PRO   9          1HB       PRO   9   4.708   6.455   7.472
   73   1HG   PRO   9          2HG       PRO   9   2.199   5.628   8.839
   74   2HG   PRO   9          1HG       PRO   9   2.786   7.249   8.440
   75   1HD   PRO   9          2HD       PRO   9   0.869   5.929   7.006
   76   2HD   PRO   9          1HD       PRO   9   1.935   7.175   6.321
   77    H    LYS  10           H        LYS  10   5.501   3.066   7.628
   78    HA   LYS  10           HA       LYS  10   4.013   0.609   7.414
   79   1HB   LYS  10          2HB       LYS  10   6.515   1.632   8.675
   80   2HB   LYS  10          1HB       LYS  10   5.887   0.100   9.284
   81   1HG   LYS  10          2HG       LYS  10   5.648  -0.182   6.539
   82   2HG   LYS  10          1HG       LYS  10   7.167   0.697   6.716
   83   1HD   LYS  10          2HD       LYS  10   7.837  -1.013   8.462
   84   2HD   LYS  10          1HD       LYS  10   6.416  -1.946   7.989
   85   1HE   LYS  10          2HE       LYS  10   8.434  -1.034   5.928
   86   2HE   LYS  10          1HE       LYS  10   8.640  -2.556   6.818
   87   1HZ   LYS  10          1HZ       LYS  10   6.281  -3.062   6.211
   88   2HZ   LYS  10          2HZ       LYS  10   7.361  -3.060   4.901
   89   3HZ   LYS  10          3HZ       LYS  10   6.323  -1.738   5.153
   90    H    GLN  11           H        GLN  11   4.372   3.023   9.983
   91    HA   GLN  11           HA       GLN  11   3.152   1.492  12.093
   92   1HB   GLN  11          2HB       GLN  11   3.671   4.401  11.494
   93   2HB   GLN  11          1HB       GLN  11   2.791   3.932  12.951
   94   1HG   GLN  11          2HG       GLN  11   4.646   3.050  13.945
   95   2HG   GLN  11          1HG       GLN  11   5.275   2.407  12.427
   96   1HE2  GLN  11          1HE2      GLN  11   5.735   4.498  10.809
   97   2HE2  GLN  11          2HE2      GLN  11   6.720   5.675  11.532
   98    H    TYR  12           H        TYR  12   1.836   2.797   9.248
   99    HA   TYR  12           HA       TYR  12  -0.904   2.912  10.467
  100   1HB   TYR  12          2HB       TYR  12   0.621   4.605   8.661
  101   2HB   TYR  12          1HB       TYR  12  -0.909   4.119   7.930
  102    HD1  TYR  12           HD1      TYR  12   0.662   6.358  10.220
  103    HD2  TYR  12           HD2      TYR  12  -3.034   4.315   9.430
  104    HE1  TYR  12           HE1      TYR  12  -0.544   7.983  11.653
  105    HE2  TYR  12           HE2      TYR  12  -4.239   5.941  10.863
  106    HH   TYR  12           HH       TYR  12  -2.792   7.896  13.039
  107    H    LYS  13           H        LYS  13   1.089   0.957   8.656
  108    HA   LYS  13           HA       LYS  13  -0.945   0.052   6.707
  109   1HB   LYS  13          2HB       LYS  13   1.898   0.054   7.013
  110   2HB   LYS  13          1HB       LYS  13   1.374  -1.623   6.873
  111   1HG   LYS  13          2HG       LYS  13   1.309  -1.262   4.642
  112   2HG   LYS  13          1HG       LYS  13  -0.152  -0.324   4.954
  113   1HD   LYS  13          2HD       LYS  13   0.980   1.408   4.030
  114   2HD   LYS  13          1HD       LYS  13   1.843   1.478   5.567
  115   1HE   LYS  13          2HE       LYS  13   2.745  -0.304   3.284
  116   2HE   LYS  13          1HE       LYS  13   3.343   1.352   3.507
  117   1HZ   LYS  13          1HZ       LYS  13   4.261   0.845   5.551
  118   2HZ   LYS  13          2HZ       LYS  13   4.578  -0.575   4.674
  119   3HZ   LYS  13          3HZ       LYS  13   3.289  -0.526   5.778
  120    H    HIS  14           H        HIS  14  -2.213  -0.443   8.972
  121    HA   HIS  14           HA       HIS  14  -1.419  -3.014  10.178
  122   1HB   HIS  14          2HB       HIS  14  -3.762  -1.111  10.493
  123   2HB   HIS  14          1HB       HIS  14  -3.568  -2.575  11.458
  124    HD1  HIS  14           HD1      HIS  14  -3.389   0.484  12.498
  125    HD2  HIS  14           HD2      HIS  14  -0.197  -2.110  11.822
  126    HE1  HIS  14           HE1      HIS  14  -1.465   1.333  13.910
  127    H    TYR  15           H        TYR  15  -3.456  -1.845   7.635
  128    HA   TYR  15           HA       TYR  15  -5.029  -4.351   7.495
  129   1HB   TYR  15          2HB       TYR  15  -6.035  -3.105   5.527
  130   2HB   TYR  15          1HB       TYR  15  -6.174  -2.260   7.068
  131    HD1  TYR  15           HD1      TYR  15  -5.476  -0.039   7.199
  132    HD2  TYR  15           HD2      TYR  15  -3.837  -2.578   4.149
  133    HE1  TYR  15           HE1      TYR  15  -4.250   1.896   6.249
  134    HE2  TYR  15           HE2      TYR  15  -2.610  -0.643   3.197
  135    HH   TYR  15           HH       TYR  15  -1.981   2.078   4.755
  136    H    CYS  16           H        CYS  16  -1.972  -3.342   6.581
  137    HA   CYS  16           HA       CYS  16  -1.692  -5.560   4.664
  138   1HB   CYS  16          2HB       CYS  16  -1.848  -2.666   3.922
  139   2HB   CYS  16          1HB       CYS  16  -0.685  -3.669   3.055
  140    H    ILE  17           H        ILE  17   0.329  -6.410   5.071
  141    HA   ILE  17           HA       ILE  17   2.282  -4.796   6.605
  142    HB   ILE  17           HB       ILE  17   2.579  -7.628   5.589
  143   1HG1  ILE  17          2HG1      ILE  17   0.337  -7.302   6.698
  144   2HG1  ILE  17          1HG1      ILE  17   1.399  -8.413   7.561
  145   1HG2  ILE  17          1HG2      ILE  17   3.565  -7.509   8.131
  146   2HG2  ILE  17          2HG2      ILE  17   3.888  -5.870   7.568
  147   3HG2  ILE  17          3HG2      ILE  17   4.538  -7.250   6.684
  148   1HD1  ILE  17          1HD1      ILE  17   1.356  -7.105   9.389
  149   2HD1  ILE  17          2HD1      ILE  17   0.178  -6.072   8.578
  150   3HD1  ILE  17          3HD1      ILE  17   1.901  -5.716   8.447
  151    H    LYS  18           H        LYS  18   2.723  -7.013   3.819
  152    HA   LYS  18           HA       LYS  18   4.882  -5.237   2.819
  153   1HB   LYS  18          2HB       LYS  18   5.202  -7.206   1.246
  154   2HB   LYS  18          1HB       LYS  18   5.367  -7.594   2.958
  155   1HG   LYS  18          2HG       LYS  18   2.600  -7.829   2.160
  156   2HG   LYS  18          1HG       LYS  18   3.621  -8.800   1.099
  157   1HD   LYS  18          2HD       LYS  18   3.553  -8.905   4.129
  158   2HD   LYS  18          1HD       LYS  18   2.992 -10.156   3.018
  159   1HE   LYS  18          2HE       LYS  18   5.080 -11.024   2.944
  160   2HE   LYS  18          1HE       LYS  18   5.706  -9.477   2.341
  161   1HZ   LYS  18          1HZ       LYS  18   6.458 -10.359   4.661
  162   2HZ   LYS  18          2HZ       LYS  18   4.969  -9.721   5.175
  163   3HZ   LYS  18          3HZ       LYS  18   6.125  -8.711   4.447
  164    H    GLY  19           H        GLY  19   2.827  -3.716   2.430
  165   1HA   GLY  19          2HA       GLY  19   2.328  -3.802  -0.465
  166   2HA   GLY  19          1HA       GLY  19   0.884  -3.934   0.542
  167    H    ARG  20           H        ARG  20   1.928  -1.707  -1.267
  168    HA   ARG  20           HA       ARG  20   2.249   0.482   0.737
  169   1HB   ARG  20          2HB       ARG  20   2.783   0.086  -2.199
  170   2HB   ARG  20          1HB       ARG  20   2.673   1.720  -1.540
  171   1HG   ARG  20          2HG       ARG  20   4.728   1.561  -0.639
  172   2HG   ARG  20          1HG       ARG  20   4.305   0.051   0.171
  173   1HD   ARG  20          2HD       ARG  20   6.196  -0.246  -1.441
  174   2HD   ARG  20          1HD       ARG  20   4.778  -1.205  -1.907
  175    HE   ARG  20           HE       ARG  20   4.179   0.756  -3.425
  176   1HH1  ARG  20          1HH1      ARG  20   7.237  -0.612  -3.075
  177   2HH1  ARG  20          2HH1      ARG  20   8.058   0.551  -4.062
  178   1HH2  ARG  20          1HH2      ARG  20   5.294   2.621  -4.381
  179   2HH2  ARG  20          2HH2      ARG  20   6.957   2.383  -4.802
  180    H    CYS  21           H        CYS  21   0.467   1.679   1.247
  181    HA   CYS  21           HA       CYS  21  -1.854   1.651  -0.656
  182   1HB   CYS  21          2HB       CYS  21  -2.399   0.565   1.399
  183   2HB   CYS  21          1HB       CYS  21  -1.575   1.798   2.350
  184    H    ARG  22           H        ARG  22  -2.363   3.606  -1.548
  185    HA   ARG  22           HA       ARG  22  -1.128   6.071  -0.394
  186   1HB   ARG  22          2HB       ARG  22  -2.488   5.684  -3.073
  187   2HB   ARG  22          1HB       ARG  22  -1.339   6.943  -2.619
  188   1HG   ARG  22          2HG       ARG  22   0.317   5.005  -2.187
  189   2HG   ARG  22          1HG       ARG  22  -0.809   4.015  -3.114
  190   1HD   ARG  22          2HD       ARG  22  -0.498   6.370  -4.630
  191   2HD   ARG  22          1HD       ARG  22   1.136   5.928  -4.093
  192    HE   ARG  22           HE       ARG  22   0.186   3.505  -4.843
  193   1HH1  ARG  22          1HH1      ARG  22   0.559   6.564  -6.346
  194   2HH1  ARG  22          2HH1      ARG  22   0.269   5.970  -7.947
  195   1HH2  ARG  22          1HH2      ARG  22  -0.435   2.738  -6.909
  196   2HH2  ARG  22          2HH2      ARG  22  -0.294   3.805  -8.266
  197    H    PHE  23           H        PHE  23  -2.500   7.325   0.824
  198    HA   PHE  23           HA       PHE  23  -5.444   7.035   0.403
  199   1HB   PHE  23          2HB       PHE  23  -4.111   6.716   2.636
  200   2HB   PHE  23          1HB       PHE  23  -4.087   8.480   2.670
  201    HD1  PHE  23           HD1      PHE  23  -6.573   9.423   1.773
  202    HD2  PHE  23           HD2      PHE  23  -5.785   5.825   3.982
  203    HE1  PHE  23           HE1      PHE  23  -8.899   9.439   2.629
  204    HE2  PHE  23           HE2      PHE  23  -8.113   5.841   4.838
  205    HZ   PHE  23           HZ       PHE  23  -9.670   7.648   4.161
  206    H    VAL  24           H        VAL  24  -6.261   8.593  -0.955
  207    HA   VAL  24           HA       VAL  24  -4.919  11.187  -1.295
  208    HB   VAL  24           HB       VAL  24  -7.629  10.333  -2.325
  209   1HG1  VAL  24          1HG1      VAL  24  -7.373  12.387  -3.255
  210   2HG1  VAL  24          2HG1      VAL  24  -6.229  11.590  -4.335
  211   3HG1  VAL  24          3HG1      VAL  24  -5.647  12.429  -2.898
  212   1HG2  VAL  24          1HG2      VAL  24  -5.895   9.643  -4.322
  213   2HG2  VAL  24          2HG2      VAL  24  -6.552   8.497  -3.155
  214   3HG2  VAL  24          3HG2      VAL  24  -4.955   9.199  -2.898
  215    H    VAL  25           H        VAL  25  -5.287  12.832   0.129
  216    HA   VAL  25           HA       VAL  25  -7.526  12.789   2.005
  217    HB   VAL  25           HB       VAL  25  -5.553  15.005   1.390
  218   1HG1  VAL  25          1HG1      VAL  25  -7.679  14.820   3.192
  219   2HG1  VAL  25          2HG1      VAL  25  -6.350  15.977   3.265
  220   3HG1  VAL  25          3HG1      VAL  25  -6.254  14.464   4.168
  221   1HG2  VAL  25          1HG2      VAL  25  -5.220  12.372   2.796
  222   2HG2  VAL  25          2HG2      VAL  25  -4.347  13.780   3.401
  223   3HG2  VAL  25          3HG2      VAL  25  -4.089  13.227   1.746
  224    H    ALA  26           H        ALA  26  -6.485  15.338  -0.306
  225    HA   ALA  26           HA       ALA  26  -8.695  16.976  -0.354
  226   1HB   ALA  26          1HB       ALA  26  -6.545  17.031  -1.738
  227   2HB   ALA  26          2HB       ALA  26  -8.002  17.551  -2.585
  228   3HB   ALA  26          3HB       ALA  26  -7.349  15.937  -2.863
  229    H    GLU  27           H        GLU  27  -8.371  13.919  -2.161
  230    HA   GLU  27           HA       GLU  27 -11.346  13.923  -2.553
  231   1HB   GLU  27          2HB       GLU  27  -8.985  13.192  -4.234
  232   2HB   GLU  27          1HB       GLU  27 -10.444  12.218  -4.427
  233   1HG   GLU  27          2HG       GLU  27 -10.837  13.919  -5.968
  234   2HG   GLU  27          1HG       GLU  27 -11.638  14.565  -4.536
  235    H    GLN  28           H        GLN  28 -11.744  12.799  -0.560
  236    HA   GLN  28           HA       GLN  28 -10.550  10.750   0.746
  237   1HB   GLN  28          2HB       GLN  28 -13.036  11.832   0.674
  238   2HB   GLN  28          1HB       GLN  28 -13.388  10.221   0.049
  239   1HG   GLN  28          2HG       GLN  28 -11.770   9.570   2.122
  240   2HG   GLN  28          1HG       GLN  28 -12.499  11.046   2.757
  241   1HE2  GLN  28          1HE2      GLN  28 -15.063  11.076   2.218
  242   2HE2  GLN  28          2HE2      GLN  28 -15.869   9.630   2.596
  243    H    THR  29           H        THR  29  -9.211   9.458  -0.677
  244    HA   THR  29           HA       THR  29 -10.741   7.281  -2.040
  245    HB   THR  29           HB       THR  29  -8.555   9.013  -3.231
  246    HG1  THR  29           1HG      THR  29 -10.362   9.195  -4.822
  247   1HG2  THR  29          1HG2      THR  29  -8.135   7.414  -4.760
  248   2HG2  THR  29          2HG2      THR  29  -9.854   7.108  -5.009
  249   3HG2  THR  29          3HG2      THR  29  -8.996   6.302  -3.695
  250    HA   PRO  30           HA       PRO  30  -7.244   5.649   0.446
  251   1HB   PRO  30          2HB       PRO  30  -8.655   3.567   1.516
  252   2HB   PRO  30          1HB       PRO  30  -8.654   5.195   2.222
  253   1HG   PRO  30          2HG       PRO  30 -10.712   3.857   0.551
  254   2HG   PRO  30          1HG       PRO  30 -10.908   4.988   1.898
  255   1HD   PRO  30          2HD       PRO  30 -11.148   5.669  -0.758
  256   2HD   PRO  30          1HD       PRO  30 -10.763   6.813   0.546
  257    H    SER  31           H        SER  31  -5.907   4.569  -0.978
  258    HA   SER  31           HA       SER  31  -7.034   2.209  -2.453
  259   1HB   SER  31          2HB       SER  31  -5.012   4.342  -3.151
  260   2HB   SER  31          1HB       SER  31  -5.076   2.821  -4.040
  261    HG   SER  31           HG       SER  31  -6.387   4.501  -4.954
  262    H    CYS  32           H        CYS  32  -6.114   0.277  -1.840
  263    HA   CYS  32           HA       CYS  32  -3.471   0.384  -0.426
  264   1HB   CYS  32          2HB       CYS  32  -4.329  -1.688   0.693
  265   2HB   CYS  32          1HB       CYS  32  -5.352  -0.281   0.979
  266    H    VAL  33           H        VAL  33  -2.000  -0.130  -2.049
  267    HA   VAL  33           HA       VAL  33  -2.593  -2.379  -3.905
  268    HB   VAL  33           HB       VAL  33  -0.296  -0.398  -3.728
  269   1HG1  VAL  33          1HG1      VAL  33  -0.484  -2.806  -5.141
  270   2HG1  VAL  33          2HG1      VAL  33   0.649  -1.493  -5.460
  271   3HG1  VAL  33          3HG1      VAL  33  -0.883  -1.566  -6.330
  272   1HG2  VAL  33          1HG2      VAL  33  -2.886  -0.420  -5.297
  273   2HG2  VAL  33          2HG2      VAL  33  -1.510   0.586  -5.751
  274   3HG2  VAL  33          3HG2      VAL  33  -2.302   0.825  -4.193
  275    H    CYS  34           H        CYS  34  -1.635  -4.375  -3.607
  276    HA   CYS  34           HA       CYS  34   0.302  -4.659  -1.353
  277   1HB   CYS  34          2HB       CYS  34  -1.213  -6.777  -2.905
  278   2HB   CYS  34          1HB       CYS  34  -0.463  -6.947  -1.318
  279    H    ASP  35           H        ASP  35   2.212  -6.032  -1.692
  280    HA   ASP  35           HA       ASP  35   3.754  -5.477  -3.981
  281   1HB   ASP  35          2HB       ASP  35   3.788  -7.248  -1.653
  282   2HB   ASP  35          1HB       ASP  35   4.612  -7.962  -3.039
  283    H    GLU  36           H        GLU  36   3.291  -6.051  -6.074
  284    HA   GLU  36           HA       GLU  36   1.391  -7.770  -7.084
  285   1HB   GLU  36          2HB       GLU  36   4.225  -7.257  -8.043
  286   2HB   GLU  36          1HB       GLU  36   2.963  -7.978  -9.043
  287   1HG   GLU  36          2HG       GLU  36   2.225  -5.459  -7.665
  288   2HG   GLU  36          1HG       GLU  36   3.432  -5.308  -8.943
  289    H    GLY  37           H        GLY  37   4.745  -8.726  -6.251
  290   1HA   GLY  37          2HA       GLY  37   4.036 -11.567  -6.641
  291   2HA   GLY  37          1HA       GLY  37   5.647 -10.944  -6.284
  292    H    TYR  38           H        TYR  38   2.501 -10.604  -4.600
  293    HA   TYR  38           HA       TYR  38   3.868 -11.663  -2.149
  294   1HB   TYR  38          2HB       TYR  38   2.991  -9.896  -0.946
  295   2HB   TYR  38          1HB       TYR  38   3.095  -9.122  -2.523
  296    HD1  TYR  38           HD1      TYR  38   1.028  -9.446   0.190
  297    HD2  TYR  38           HD2      TYR  38   0.895  -9.888  -4.080
  298    HE1  TYR  38           HE1      TYR  38  -1.423  -9.083   0.226
  299    HE2  TYR  38           HE2      TYR  38  -1.555  -9.525  -4.043
  300    HH   TYR  38           HH       TYR  38  -3.267  -8.687  -2.723
  301    H    ILE  39           H        ILE  39   2.154 -12.489  -0.512
  302    HA   ILE  39           HA       ILE  39  -0.260 -13.635  -1.821
  303    HB   ILE  39           HB       ILE  39   2.024 -15.169  -0.544
  304   1HG1  ILE  39          2HG1      ILE  39   1.433 -16.374  -2.918
  305   2HG1  ILE  39          1HG1      ILE  39   1.028 -14.699  -3.294
  306   1HG2  ILE  39          1HG2      ILE  39  -0.777 -15.759  -0.525
  307   2HG2  ILE  39          2HG2      ILE  39   0.553 -16.765   0.048
  308   3HG2  ILE  39          3HG2      ILE  39   0.016 -16.887  -1.626
  309   1HD1  ILE  39          1HD1      ILE  39   3.675 -15.871  -2.502
  310   2HD1  ILE  39          2HD1      ILE  39   3.332 -14.181  -2.133
  311   3HD1  ILE  39          3HD1      ILE  39   3.302 -14.741  -3.804
  312    H    GLY  40           H        GLY  40  -1.959 -13.795  -0.357
  313   1HA   GLY  40          2HA       GLY  40  -2.447 -14.436   2.100
  314   2HA   GLY  40          1HA       GLY  40  -1.326 -13.129   2.486
  315    H    ALA  41           H        ALA  41  -4.067 -13.164   3.314
  316    HA   ALA  41           HA       ALA  41  -5.678 -11.501   1.554
  317   1HB   ALA  41          1HB       ALA  41  -5.967 -11.884   4.542
  318   2HB   ALA  41          2HB       ALA  41  -6.382 -13.157   3.394
  319   3HB   ALA  41          3HB       ALA  41  -7.243 -11.618   3.354
  320    H    ARG  42           H        ARG  42  -3.878 -10.872   4.593
  321    HA   ARG  42           HA       ARG  42  -4.213  -7.944   4.152
  322   1HB   ARG  42          2HB       ARG  42  -3.040  -9.525   6.465
  323   2HB   ARG  42          1HB       ARG  42  -3.470  -7.813   6.482
  324   1HG   ARG  42          2HG       ARG  42  -5.787  -9.081   5.583
  325   2HG   ARG  42          1HG       ARG  42  -5.178 -10.147   6.851
  326   1HD   ARG  42          2HD       ARG  42  -5.440  -8.547   8.512
  327   2HD   ARG  42          1HD       ARG  42  -5.211  -7.194   7.385
  328    HE   ARG  42           HE       ARG  42  -7.597  -8.824   6.857
  329   1HH1  ARG  42          1HH1      ARG  42  -7.614  -7.488   9.652
  330   2HH1  ARG  42          2HH1      ARG  42  -8.491  -6.037   9.295
  331   1HH2  ARG  42          1HH2      ARG  42  -8.128  -6.351   5.860
  332   2HH2  ARG  42          2HH2      ARG  42  -8.782  -5.394   7.146
  333    H    CYS  43           H        CYS  43  -2.287  -9.886   2.684
  334    HA   CYS  43           HA       CYS  43  -0.109  -9.669   1.781
  335   1HB   CYS  43          2HB       CYS  43   0.027  -7.079   3.338
  336   2HB   CYS  43          1HB       CYS  43   0.791  -7.462   1.798
  337    H    GLU  44           H        GLU  44  -0.057 -11.402   3.778
  338    HA   GLU  44           HA       GLU  44   1.866 -10.458   5.854
  339   1HB   GLU  44          2HB       GLU  44   0.325 -13.057   5.580
  340   2HB   GLU  44          1HB       GLU  44   1.164 -12.482   7.021
  341   1HG   GLU  44          2HG       GLU  44  -0.444 -10.890   7.493
  342   2HG   GLU  44          1HG       GLU  44  -0.901 -10.698   5.800
  343    H    ARG  45           H        ARG  45   1.559 -12.729   3.159
  344    HA   ARG  45           HA       ARG  45   4.351 -13.677   3.673
  345   1HB   ARG  45          2HB       ARG  45   1.840 -14.811   2.607
  346   2HB   ARG  45          1HB       ARG  45   3.288 -15.272   1.711
  347   1HG   ARG  45          2HG       ARG  45   4.280 -15.705   4.115
  348   2HG   ARG  45          1HG       ARG  45   2.581 -15.821   4.575
  349   1HD   ARG  45          2HD       ARG  45   3.066 -17.310   2.128
  350   2HD   ARG  45          1HD       ARG  45   4.132 -17.869   3.433
  351    HE   ARG  45           HE       ARG  45   1.155 -17.810   3.559
  352   1HH1  ARG  45          1HH2      ARG  45   3.568 -19.935   3.970
  353   2HH1  ARG  45          2HH2      ARG  45   3.236 -20.348   5.619
  354   1HH2  ARG  45          1HH1      ARG  45   1.002 -17.740   6.101
  355   2HH2  ARG  45          2HH1      ARG  45   1.784 -19.107   6.825
  356    H    VAL  46           H        VAL  46   5.707 -13.963   1.689
  357    HA   VAL  46           HA       VAL  46   4.936 -12.305  -0.653
  358    HB   VAL  46           HB       VAL  46   6.006 -10.855   1.106
  359   1HG1  VAL  46          1HG1      VAL  46   8.714 -11.696   0.680
  360   2HG1  VAL  46          2HG1      VAL  46   7.778 -13.081   1.245
  361   3HG1  VAL  46          3HG1      VAL  46   7.824 -11.599   2.200
  362   1HG2  VAL  46          1HG2      VAL  46   7.945 -11.100  -1.174
  363   2HG2  VAL  46          2HG2      VAL  46   7.245  -9.648  -0.460
  364   3HG2  VAL  46          3HG2      VAL  46   6.268 -10.671  -1.514
  365    H    ASP  47           H        ASP  47   6.493 -12.638  -2.467
  366    HA   ASP  47           HA       ASP  47   8.209 -15.070  -2.160
  367   1HB   ASP  47          2HB       ASP  47   5.687 -15.056  -3.267
  368   2HB   ASP  47          1HB       ASP  47   6.709 -14.826  -4.687
  369    H    LEU  48           H        LEU  48   9.136 -12.376  -2.265
  370    HA   LEU  48           HA       LEU  48  10.148 -12.090  -5.067
  371   1HB   LEU  48          2HB       LEU  48   9.041 -10.324  -3.159
  372   2HB   LEU  48          1HB       LEU  48  10.754  -9.910  -3.259
  373    HG   LEU  48           HG       LEU  48  10.463  -9.962  -5.802
  374   1HD1  LEU  48          1HD1      LEU  48   7.568  -9.418  -5.332
  375   2HD1  LEU  48          2HD1      LEU  48   8.087 -11.104  -5.310
  376   3HD1  LEU  48          3HD1      LEU  48   8.367 -10.113  -6.742
  377   1HD2  LEU  48          1HD2      LEU  48   9.731  -7.954  -3.836
  378   2HD2  LEU  48          2HD2      LEU  48   8.805  -7.740  -5.321
  379   3HD2  LEU  48          3HD2      LEU  48  10.568  -7.747  -5.374
  380    H    PHE  49           H        PHE  49  12.445 -10.667  -4.644
  381    HA   PHE  49           HA       PHE  49  14.322 -12.695  -3.768
  382   1HB   PHE  49          2HB       PHE  49  14.266 -10.147  -5.142
  383   2HB   PHE  49          1HB       PHE  49  15.581 -10.170  -3.968
  384    HD1  PHE  49           HD1      PHE  49  17.621 -10.919  -4.785
  385    HD2  PHE  49           HD2      PHE  49  13.995 -12.594  -6.366
  386    HE1  PHE  49           HE1      PHE  49  18.949 -12.366  -6.298
  387    HE2  PHE  49           HE2      PHE  49  15.324 -14.041  -7.880
  388    HZ   PHE  49           HZ       PHE  49  17.802 -13.927  -7.845
  389    H    TYR  50           H        TYR  50  12.478 -10.429  -2.049
  390    HA   TYR  50           HA       TYR  50  14.444  -9.801   0.030
  391   1HB   TYR  50          2HB       TYR  50  12.239  -8.592  -0.872
  392   2HB   TYR  50          1HB       TYR  50  11.483  -9.556   0.398
  393    HD1  TYR  50           HD1      TYR  50  12.703  -9.515   2.735
  394    HD2  TYR  50           HD2      TYR  50  13.194  -6.531  -0.315
  395    HE1  TYR  50           HE1      TYR  50  13.508  -7.905   4.440
  396    HE2  TYR  50           HE2      TYR  50  13.998  -4.921   1.391
  397    HH   TYR  50           HH       TYR  50  14.173  -5.828   4.836
  Start of MODEL   18
    1   1H    ARG   1          H1        ARG   1   5.273  18.455 -10.394
    2   2H    ARG   1          H2        ARG   1   3.802  18.217  -9.577
    3   3H    ARG   1          H3        ARG   1   4.206  17.241 -10.909
    4    HA   ARG   1           HA       ARG   1   6.310  16.759  -9.336
    5   1HB   ARG   1          2HB       ARG   1   3.882  17.271  -7.583
    6   2HB   ARG   1          1HB       ARG   1   5.442  16.661  -7.030
    7   1HG   ARG   1          2HG       ARG   1   6.532  18.707  -7.455
    8   2HG   ARG   1          1HG       ARG   1   5.247  19.272  -8.522
    9   1HD   ARG   1          2HD       ARG   1   4.926  20.474  -6.478
   10   2HD   ARG   1          1HD       ARG   1   3.722  19.169  -6.425
   11    HE   ARG   1           HE       ARG   1   6.349  18.483  -5.287
   12   1HH1  ARG   1          1HH1      ARG   1   4.798  20.789  -3.857
   13   2HH1  ARG   1          2HH1      ARG   1   4.032  19.886  -2.592
   14   1HH2  ARG   1          1HH2      ARG   1   4.650  16.804  -4.054
   15   2HH2  ARG   1          2HH2      ARG   1   3.948  17.630  -2.704
   16    H    LYS   2           H        LYS   2   6.360  14.670 -10.090
   17    HA   LYS   2           HA       LYS   2   4.261  13.044 -10.928
   18   1HB   LYS   2          2HB       LYS   2   7.024  12.716  -9.922
   19   2HB   LYS   2          1HB       LYS   2   6.036  11.257  -9.854
   20   1HG   LYS   2          2HG       LYS   2   6.011  11.029 -12.108
   21   2HG   LYS   2          1HG       LYS   2   5.745  12.754 -12.366
   22   1HD   LYS   2          2HD       LYS   2   7.933  13.109 -12.769
   23   2HD   LYS   2          1HD       LYS   2   8.401  12.256 -11.298
   24   1HE   LYS   2          2HE       LYS   2   9.308  10.773 -12.816
   25   2HE   LYS   2          1HE       LYS   2   7.648  10.147 -12.849
   26   1HZ   LYS   2          1HZ       LYS   2   7.838  10.639 -15.038
   27   2HZ   LYS   2          2HZ       LYS   2   9.039  11.817 -14.793
   28   3HZ   LYS   2          3HZ       LYS   2   7.406  12.191 -14.508
   29    H    GLY   3           H        GLY   3   2.428  12.574  -9.762
   30   1HA   GLY   3          2HA       GLY   3   1.129  11.619  -8.046
   31   2HA   GLY   3          1HA       GLY   3   2.626  11.093  -7.276
   32    H    HIS   4           H        HIS   4   0.014  12.949  -6.701
   33    HA   HIS   4           HA       HIS   4   1.558  14.750  -4.874
   34   1HB   HIS   4          2HB       HIS   4   0.667  15.745  -7.101
   35   2HB   HIS   4          1HB       HIS   4  -0.928  15.598  -6.362
   36    HD1  HIS   4           HD1      HIS   4   1.048  16.178  -3.554
   37    HD2  HIS   4           HD2      HIS   4  -0.143  18.657  -6.686
   38    HE1  HIS   4           HE1      HIS   4   1.279  18.556  -2.714
   39    H    PHE   5           H        PHE   5   0.768  12.732  -3.522
   40    HA   PHE   5           HA       PHE   5  -1.804  13.521  -2.234
   41   1HB   PHE   5          2HB       PHE   5  -1.046  10.724  -3.148
   42   2HB   PHE   5          1HB       PHE   5  -2.534  11.164  -2.309
   43    HD1  PHE   5           HD1      PHE   5  -3.971  13.052  -3.408
   44    HD2  PHE   5           HD2      PHE   5  -0.995  10.763  -5.494
   45    HE1  PHE   5           HE1      PHE   5  -5.027  13.649  -5.570
   46    HE2  PHE   5           HE2      PHE   5  -2.052  11.359  -7.657
   47    HZ   PHE   5           HZ       PHE   5  -4.069  12.802  -7.695
   48    H    SER   6           H        SER   6  -1.409  10.752  -0.818
   49    HA   SER   6           HA       SER   6   0.931  11.494   0.889
   50   1HB   SER   6          2HB       SER   6  -1.456  10.477   2.290
   51   2HB   SER   6          1HB       SER   6  -0.402  11.823   2.709
   52    HG   SER   6           HG       SER   6  -2.341  12.701   2.132
   53    H    ARG   7           H        ARG   7   2.185   9.711   1.275
   54    HA   ARG   7           HA       ARG   7   1.242   7.056   0.411
   55   1HB   ARG   7          2HB       ARG   7   3.463   7.659  -0.199
   56   2HB   ARG   7          1HB       ARG   7   3.824   8.262   1.419
   57   1HG   ARG   7          2HG       ARG   7   2.988   5.498   1.558
   58   2HG   ARG   7          1HG       ARG   7   4.327   5.671   0.421
   59   1HD   ARG   7          2HD       ARG   7   5.106   7.295   2.534
   60   2HD   ARG   7          1HD       ARG   7   4.344   5.910   3.343
   61    HE   ARG   7           HE       ARG   7   6.071   5.103   1.140
   62   1HH1  ARG   7          1HH2      ARG   7   7.546   6.895   3.227
   63   2HH1  ARG   7          2HH2      ARG   7   8.261   5.668   4.217
   64   1HH2  ARG   7          1HH1      ARG   7   6.283   3.118   2.948
   65   2HH2  ARG   7          2HH1      ARG   7   7.546   3.529   4.060
   66    H    CYS   8           H        CYS   8   0.816   5.329   1.815
   67    HA   CYS   8           HA       CYS   8   0.196   5.979   4.595
   68   1HB   CYS   8          2HB       CYS   8  -0.030   3.657   2.716
   69   2HB   CYS   8          1HB       CYS   8  -0.185   3.346   4.445
   70    HA   PRO   9           HA       PRO   9   4.279   4.850   5.975
   71   1HB   PRO   9          2HB       PRO   9   3.804   5.206   8.645
   72   2HB   PRO   9          1HB       PRO   9   4.078   6.555   7.526
   73   1HG   PRO   9          2HG       PRO   9   1.533   5.523   8.659
   74   2HG   PRO   9          1HG       PRO   9   2.022   7.187   8.307
   75   1HD   PRO   9          2HD       PRO   9   0.351   5.701   6.717
   76   2HD   PRO   9          1HD       PRO   9   1.334   7.062   6.137
   77    H    LYS  10           H        LYS  10   5.188   2.957   6.918
   78    HA   LYS  10           HA       LYS  10   3.649   0.571   6.940
   79   1HB   LYS  10          2HB       LYS  10   6.190   1.008   6.765
   80   2HB   LYS  10          1HB       LYS  10   6.176   1.045   8.528
   81   1HG   LYS  10          2HG       LYS  10   5.759  -1.203   8.710
   82   2HG   LYS  10          1HG       LYS  10   4.784  -1.247   7.242
   83   1HD   LYS  10          2HD       LYS  10   6.557  -2.047   6.114
   84   2HD   LYS  10          1HD       LYS  10   7.426  -0.550   6.460
   85   1HE   LYS  10          2HE       LYS  10   7.938  -1.611   8.775
   86   2HE   LYS  10          1HE       LYS  10   7.471  -3.143   8.010
   87   1HZ   LYS  10          1HZ       LYS  10   9.692  -1.339   7.345
   88   2HZ   LYS  10          2HZ       LYS  10   8.970  -2.236   6.095
   89   3HZ   LYS  10          3HZ       LYS  10   9.671  -3.034   7.422
   90    H    GLN  11           H        GLN  11   4.352   2.894   9.496
   91    HA   GLN  11           HA       GLN  11   3.660   1.321  11.770
   92   1HB   GLN  11          2HB       GLN  11   3.509   4.271  11.101
   93   2HB   GLN  11          1HB       GLN  11   3.183   3.649  12.720
   94   1HG   GLN  11          2HG       GLN  11   5.378   3.308  13.145
   95   2HG   GLN  11          1HG       GLN  11   5.653   2.576  11.563
   96   1HE2  GLN  11          1HE2      GLN  11   5.903   4.146   9.692
   97   2HE2  GLN  11          2HE2      GLN  11   6.556   5.682  10.005
   98    H    TYR  12           H        TYR  12   1.659   3.138   9.473
   99    HA   TYR  12           HA       TYR  12  -0.793   2.415  11.012
  100   1HB   TYR  12          2HB       TYR  12   0.030   4.455   8.988
  101   2HB   TYR  12          1HB       TYR  12  -1.670   3.982   9.025
  102    HD1  TYR  12           HD1      TYR  12   0.728   6.167  10.407
  103    HD2  TYR  12           HD2      TYR  12  -2.723   3.840  11.468
  104    HE1  TYR  12           HE1      TYR  12   0.371   7.604  12.397
  105    HE2  TYR  12           HE2      TYR  12  -3.081   5.278  13.457
  106    HH   TYR  12           HH       TYR  12  -2.402   7.068  14.575
  107    H    LYS  13           H        LYS  13   1.059   0.917   8.790
  108    HA   LYS  13           HA       LYS  13  -1.027   0.146   6.854
  109   1HB   LYS  13          2HB       LYS  13   1.834   0.139   7.091
  110   2HB   LYS  13          1HB       LYS  13   1.299  -1.505   6.744
  111   1HG   LYS  13          2HG       LYS  13   0.052  -0.737   4.798
  112   2HG   LYS  13          1HG       LYS  13   0.438   0.943   5.176
  113   1HD   LYS  13          2HD       LYS  13   2.909  -0.406   5.135
  114   2HD   LYS  13          1HD       LYS  13   2.021  -1.003   3.733
  115   1HE   LYS  13          2HE       LYS  13   1.540   1.377   3.084
  116   2HE   LYS  13          1HE       LYS  13   2.595   1.901   4.412
  117   1HZ   LYS  13          1HZ       LYS  13   4.042   1.729   2.616
  118   2HZ   LYS  13          2HZ       LYS  13   3.297   0.327   2.012
  119   3HZ   LYS  13          3HZ       LYS  13   4.253   0.247   3.415
  120    H    HIS  14           H        HIS  14  -2.189  -0.594   9.119
  121    HA   HIS  14           HA       HIS  14  -1.329  -3.276   9.992
  122   1HB   HIS  14          2HB       HIS  14  -3.332  -1.189  10.729
  123   2HB   HIS  14          1HB       HIS  14  -3.717  -2.851  11.176
  124    HD1  HIS  14           HD1      HIS  14  -1.819  -4.120  12.624
  125    HD2  HIS  14           HD2      HIS  14  -1.442   0.024  12.374
  126    HE1  HIS  14           HE1      HIS  14  -0.222  -3.434  14.466
  127    H    TYR  15           H        TYR  15  -3.445  -1.866   7.652
  128    HA   TYR  15           HA       TYR  15  -5.053  -4.335   7.340
  129   1HB   TYR  15          2HB       TYR  15  -6.115  -2.908   5.531
  130   2HB   TYR  15          1HB       TYR  15  -6.190  -2.206   7.146
  131    HD1  TYR  15           HD1      TYR  15  -5.504   0.000   7.431
  132    HD2  TYR  15           HD2      TYR  15  -3.927  -2.277   4.148
  133    HE1  TYR  15           HE1      TYR  15  -4.299   2.010   6.617
  134    HE2  TYR  15           HE2      TYR  15  -2.720  -0.269   3.335
  135    HH   TYR  15           HH       TYR  15  -1.834   1.893   4.383
  136    H    CYS  16           H        CYS  16  -2.014  -3.284   6.414
  137    HA   CYS  16           HA       CYS  16  -1.845  -5.317   4.289
  138   1HB   CYS  16          2HB       CYS  16  -1.968  -2.366   3.820
  139   2HB   CYS  16          1HB       CYS  16  -0.854  -3.304   2.826
  140    H    ILE  17           H        ILE  17  -0.047  -6.304   5.209
  141    HA   ILE  17           HA       ILE  17   2.121  -4.738   6.418
  142    HB   ILE  17           HB       ILE  17   1.994  -7.684   5.710
  143   1HG1  ILE  17          2HG1      ILE  17  -0.044  -6.967   6.950
  144   2HG1  ILE  17          1HG1      ILE  17   0.979  -8.026   7.920
  145   1HG2  ILE  17          1HG2      ILE  17   3.219  -7.136   8.218
  146   2HG2  ILE  17          2HG2      ILE  17   3.899  -6.003   7.049
  147   3HG2  ILE  17          3HG2      ILE  17   3.988  -7.739   6.750
  148   1HD1  ILE  17          1HD1      ILE  17   2.058  -5.741   8.703
  149   2HD1  ILE  17          2HD1      ILE  17   0.566  -6.322   9.444
  150   3HD1  ILE  17          3HD1      ILE  17   0.506  -5.079   8.194
  151    H    LYS  18           H        LYS  18   2.146  -7.198   3.818
  152    HA   LYS  18           HA       LYS  18   4.591  -5.999   2.669
  153   1HB   LYS  18          2HB       LYS  18   3.433  -8.547   2.925
  154   2HB   LYS  18          1HB       LYS  18   3.349  -8.180   1.203
  155   1HG   LYS  18          2HG       LYS  18   5.601  -8.281   0.943
  156   2HG   LYS  18          1HG       LYS  18   5.910  -7.465   2.477
  157   1HD   LYS  18          2HD       LYS  18   4.776  -9.938   3.177
  158   2HD   LYS  18          1HD       LYS  18   5.921 -10.304   1.885
  159   1HE   LYS  18          2HE       LYS  18   7.457 -10.292   3.594
  160   2HE   LYS  18          1HE       LYS  18   7.374  -8.529   3.401
  161   1HZ   LYS  18          1HZ       LYS  18   5.906 -10.242   5.312
  162   2HZ   LYS  18          2HZ       LYS  18   5.323  -8.703   4.889
  163   3HZ   LYS  18          3HZ       LYS  18   6.843  -8.865   5.631
  164    H    GLY  19           H        GLY  19   2.484  -4.183   2.401
  165   1HA   GLY  19          2HA       GLY  19   2.203  -4.109  -0.533
  166   2HA   GLY  19          1HA       GLY  19   0.693  -4.165   0.376
  167    H    ARG  20           H        ARG  20   0.922  -1.970  -1.088
  168    HA   ARG  20           HA       ARG  20   1.820   0.163   0.826
  169   1HB   ARG  20          2HB       ARG  20   2.445  -0.417  -1.944
  170   2HB   ARG  20          1HB       ARG  20   1.699   1.175  -1.812
  171   1HG   ARG  20          2HG       ARG  20   3.360   1.421   0.240
  172   2HG   ARG  20          1HG       ARG  20   4.265   0.181  -0.629
  173   1HD   ARG  20          2HD       ARG  20   3.277   2.697  -1.999
  174   2HD   ARG  20          1HD       ARG  20   4.872   2.596  -1.228
  175    HE   ARG  20           HE       ARG  20   4.005   0.669  -3.353
  176   1HH1  ARG  20          1HH2      ARG  20   5.786   3.397  -3.260
  177   2HH1  ARG  20          2HH2      ARG  20   7.310   2.684  -3.669
  178   1HH2  ARG  20          1HH1      ARG  20   6.198  -0.573  -3.247
  179   2HH2  ARG  20          2HH1      ARG  20   7.544   0.436  -3.661
  180    H    CYS  21           H        CYS  21   0.462   2.109   0.802
  181    HA   CYS  21           HA       CYS  21  -2.208   1.793  -0.501
  182   1HB   CYS  21          2HB       CYS  21  -2.355   0.870   1.762
  183   2HB   CYS  21          1HB       CYS  21  -1.628   2.332   2.428
  184    H    ARG  22           H        ARG  22  -2.528   3.657  -1.637
  185    HA   ARG  22           HA       ARG  22  -1.156   6.154  -0.788
  186   1HB   ARG  22          2HB       ARG  22  -2.816   5.541  -3.253
  187   2HB   ARG  22          1HB       ARG  22  -1.672   6.868  -3.047
  188   1HG   ARG  22          2HG       ARG  22   0.059   4.963  -2.568
  189   2HG   ARG  22          1HG       ARG  22  -1.114   3.932  -3.390
  190   1HD   ARG  22          2HD       ARG  22  -0.143   4.628  -5.328
  191   2HD   ARG  22          1HD       ARG  22  -0.929   6.191  -5.035
  192    HE   ARG  22           HE       ARG  22   1.609   5.751  -3.597
  193   1HH1  ARG  22          1HH2      ARG  22   0.439   6.497  -6.702
  194   2HH1  ARG  22          2HH2      ARG  22   1.436   7.899  -6.909
  195   1HH2  ARG  22          1HH1      ARG  22   2.687   7.815  -3.677
  196   2HH2  ARG  22          2HH1      ARG  22   2.709   8.645  -5.198
  197    H    PHE  23           H        PHE  23  -2.359   7.280   0.721
  198    HA   PHE  23           HA       PHE  23  -5.328   7.272   0.526
  199   1HB   PHE  23          2HB       PHE  23  -3.802   6.894   2.624
  200   2HB   PHE  23          1HB       PHE  23  -3.657   8.653   2.618
  201    HD1  PHE  23           HD1      PHE  23  -6.161   9.736   1.930
  202    HD2  PHE  23           HD2      PHE  23  -5.379   6.153   4.166
  203    HE1  PHE  23           HE1      PHE  23  -8.385   9.927   3.012
  204    HE2  PHE  23           HE2      PHE  23  -7.603   6.342   5.248
  205    HZ   PHE  23           HZ       PHE  23  -9.105   8.230   4.671
  206    H    VAL  24           H        VAL  24  -5.977   8.797  -0.999
  207    HA   VAL  24           HA       VAL  24  -4.569  11.368  -1.273
  208    HB   VAL  24           HB       VAL  24  -7.110  10.246  -2.497
  209   1HG1  VAL  24          1HG1      VAL  24  -5.826  12.097  -4.205
  210   2HG1  VAL  24          2HG1      VAL  24  -5.878  12.854  -2.614
  211   3HG1  VAL  24          3HG1      VAL  24  -7.369  12.303  -3.376
  212   1HG2  VAL  24          1HG2      VAL  24  -4.520  10.493  -3.968
  213   2HG2  VAL  24          2HG2      VAL  24  -5.808   9.304  -4.159
  214   3HG2  VAL  24          3HG2      VAL  24  -4.680   9.173  -2.810
  215    H    VAL  25           H        VAL  25  -4.983  12.936   0.232
  216    HA   VAL  25           HA       VAL  25  -7.349  12.963   1.909
  217    HB   VAL  25           HB       VAL  25  -5.224  15.055   1.339
  218   1HG1  VAL  25          1HG1      VAL  25  -7.600  15.288   2.785
  219   2HG1  VAL  25          2HG1      VAL  25  -6.189  16.337   2.928
  220   3HG1  VAL  25          3HG1      VAL  25  -6.381  14.962   4.016
  221   1HG2  VAL  25          1HG2      VAL  25  -5.376  12.978   3.546
  222   2HG2  VAL  25          2HG2      VAL  25  -4.060  14.116   3.260
  223   3HG2  VAL  25          3HG2      VAL  25  -4.372  12.820   2.106
  224    H    ALA  26           H        ALA  26  -6.187  15.353  -0.517
  225    HA   ALA  26           HA       ALA  26  -8.369  17.038  -0.704
  226   1HB   ALA  26          1HB       ALA  26  -6.357  17.306  -2.036
  227   2HB   ALA  26          2HB       ALA  26  -7.719  17.184  -3.151
  228   3HB   ALA  26          3HB       ALA  26  -6.668  15.793  -2.887
  229    H    GLU  27           H        GLU  27  -8.015  14.243  -2.908
  230    HA   GLU  27           HA       GLU  27 -10.975  14.122  -3.186
  231   1HB   GLU  27          2HB       GLU  27  -9.365  14.154  -5.141
  232   2HB   GLU  27          1HB       GLU  27  -8.768  12.585  -4.599
  233   1HG   GLU  27          2HG       GLU  27 -10.435  11.616  -5.758
  234   2HG   GLU  27          1HG       GLU  27 -11.580  12.362  -4.642
  235    H    GLN  28           H        GLN  28 -11.531  13.128  -1.172
  236    HA   GLN  28           HA       GLN  28 -10.449  11.174   0.355
  237   1HB   GLN  28          2HB       GLN  28 -13.231  11.645  -0.664
  238   2HB   GLN  28          1HB       GLN  28 -12.931  10.256   0.381
  239   1HG   GLN  28          2HG       GLN  28 -13.070  11.651   2.144
  240   2HG   GLN  28          1HG       GLN  28 -11.567  12.395   1.593
  241   1HE2  GLN  28          1HE2      GLN  28 -14.324  13.474   2.715
  242   2HE2  GLN  28          2HE2      GLN  28 -14.669  14.758   1.661
  243    H    THR  29           H        THR  29  -9.032   9.769  -0.855
  244    HA   THR  29           HA       THR  29 -10.462   7.473  -2.107
  245    HB   THR  29           HB       THR  29  -8.415   9.289  -3.389
  246    HG1  THR  29           1HG      THR  29 -10.929   8.233  -4.159
  247   1HG2  THR  29          1HG2      THR  29  -8.961   6.388  -3.877
  248   2HG2  THR  29          2HG2      THR  29  -7.438   7.273  -3.976
  249   3HG2  THR  29          3HG2      THR  29  -8.635   7.431  -5.262
  250    HA   PRO  30           HA       PRO  30  -6.898   6.228   0.539
  251   1HB   PRO  30          2HB       PRO  30  -8.299   4.502   2.124
  252   2HB   PRO  30          1HB       PRO  30  -8.181   6.239   2.466
  253   1HG   PRO  30          2HG       PRO  30 -10.425   4.686   1.322
  254   2HG   PRO  30          1HG       PRO  30 -10.451   6.132   2.341
  255   1HD   PRO  30          2HD       PRO  30 -10.855   6.084  -0.411
  256   2HD   PRO  30          1HD       PRO  30 -10.444   7.520   0.551
  257    H    SER  31           H        SER  31  -6.229   5.133  -1.498
  258    HA   SER  31           HA       SER  31  -7.418   2.482  -2.069
  259   1HB   SER  31          2HB       SER  31  -6.771   4.177  -3.812
  260   2HB   SER  31          1HB       SER  31  -5.089   3.960  -3.336
  261    HG   SER  31           HG       SER  31  -6.804   1.851  -4.154
  262    H    CYS  32           H        CYS  32  -6.482   0.569  -1.415
  263    HA   CYS  32           HA       CYS  32  -3.692   0.675  -0.317
  264   1HB   CYS  32          2HB       CYS  32  -4.547  -0.949   1.401
  265   2HB   CYS  32          1HB       CYS  32  -5.319   0.633   1.495
  266    H    VAL  33           H        VAL  33  -2.654  -0.384  -2.032
  267    HA   VAL  33           HA       VAL  33  -3.818  -2.958  -3.007
  268    HB   VAL  33           HB       VAL  33  -1.623  -1.133  -4.044
  269   1HG1  VAL  33          1HG1      VAL  33  -1.098  -3.310  -4.834
  270   2HG1  VAL  33          2HG1      VAL  33  -2.009  -2.568  -6.149
  271   3HG1  VAL  33          3HG1      VAL  33  -2.797  -3.721  -5.071
  272   1HG2  VAL  33          1HG2      VAL  33  -3.493  -0.994  -5.919
  273   2HG2  VAL  33          2HG2      VAL  33  -3.592   0.026  -4.483
  274   3HG2  VAL  33          3HG2      VAL  33  -4.556  -1.447  -4.586
  275    H    CYS  34           H        CYS  34  -2.163  -4.723  -3.410
  276    HA   CYS  34           HA       CYS  34  -0.146  -4.777  -1.191
  277   1HB   CYS  34          2HB       CYS  34  -1.499  -7.067  -2.650
  278   2HB   CYS  34          1HB       CYS  34  -0.560  -7.169  -1.160
  279    H    ASP  35           H        ASP  35   1.834  -6.091  -1.707
  280    HA   ASP  35           HA       ASP  35   3.092  -5.249  -4.139
  281   1HB   ASP  35          2HB       ASP  35   3.651  -7.188  -1.910
  282   2HB   ASP  35          1HB       ASP  35   4.724  -7.147  -3.310
  283    H    GLU  36           H        GLU  36   2.611  -6.043  -6.151
  284    HA   GLU  36           HA       GLU  36   1.015  -8.186  -6.872
  285   1HB   GLU  36          2HB       GLU  36   2.025  -6.459  -8.360
  286   2HB   GLU  36          1HB       GLU  36   3.579  -7.281  -8.223
  287   1HG   GLU  36          2HG       GLU  36   2.676  -8.133 -10.231
  288   2HG   GLU  36          1HG       GLU  36   2.310  -9.384  -9.044
  289    H    GLY  37           H        GLY  37   4.513  -8.312  -6.159
  290   1HA   GLY  37          2HA       GLY  37   4.527 -11.238  -6.552
  291   2HA   GLY  37          1HA       GLY  37   5.930 -10.239  -6.168
  292    H    TYR  38           H        TYR  38   2.784 -10.531  -4.503
  293    HA   TYR  38           HA       TYR  38   4.297 -11.420  -2.071
  294   1HB   TYR  38          2HB       TYR  38   3.273  -9.750  -0.853
  295   2HB   TYR  38          1HB       TYR  38   3.212  -8.975  -2.431
  296    HD1  TYR  38           HD1      TYR  38   1.310  -9.466   0.351
  297    HD2  TYR  38           HD2      TYR  38   1.081 -10.110  -3.890
  298    HE1  TYR  38           HE1      TYR  38  -1.167  -9.439   0.477
  299    HE2  TYR  38           HE2      TYR  38  -1.395 -10.076  -3.764
  300    HH   TYR  38           HH       TYR  38  -3.162  -9.721  -2.460
  301    H    ILE  39           H        ILE  39   2.602 -12.361  -0.409
  302    HA   ILE  39           HA       ILE  39   0.391 -13.822  -1.768
  303    HB   ILE  39           HB       ILE  39   2.840 -14.979  -0.426
  304   1HG1  ILE  39          2HG1      ILE  39   1.415 -15.635  -3.024
  305   2HG1  ILE  39          1HG1      ILE  39   2.833 -14.594  -2.894
  306   1HG2  ILE  39          1HG2      ILE  39   0.117 -16.230  -0.837
  307   2HG2  ILE  39          2HG2      ILE  39   1.066 -16.155   0.648
  308   3HG2  ILE  39          3HG2      ILE  39   1.583 -17.200  -0.676
  309   1HD1  ILE  39          1HD1      ILE  39   2.955 -17.289  -3.329
  310   2HD1  ILE  39          2HD1      ILE  39   3.102 -17.223  -1.573
  311   3HD1  ILE  39          3HD1      ILE  39   4.251 -16.349  -2.587
  312    H    GLY  40           H        GLY  40  -1.217 -14.565  -0.248
  313   1HA   GLY  40          2HA       GLY  40  -1.904 -14.964   2.093
  314   2HA   GLY  40          1HA       GLY  40  -0.808 -13.668   2.574
  315    H    ALA  41           H        ALA  41  -3.546 -13.681   3.301
  316    HA   ALA  41           HA       ALA  41  -5.065 -11.963   1.488
  317   1HB   ALA  41          1HB       ALA  41  -5.405 -13.495   3.936
  318   2HB   ALA  41          2HB       ALA  41  -6.623 -12.998   2.760
  319   3HB   ALA  41          3HB       ALA  41  -6.170 -11.911   4.072
  320    H    ARG  42           H        ARG  42  -3.519 -11.500   4.694
  321    HA   ARG  42           HA       ARG  42  -3.894  -8.571   4.485
  322   1HB   ARG  42          2HB       ARG  42  -2.515 -10.252   6.602
  323   2HB   ARG  42          1HB       ARG  42  -3.129  -8.609   6.786
  324   1HG   ARG  42          2HG       ARG  42  -4.806 -11.073   6.221
  325   2HG   ARG  42          1HG       ARG  42  -4.704 -10.224   7.765
  326   1HD   ARG  42          2HD       ARG  42  -5.369  -8.130   6.221
  327   2HD   ARG  42          1HD       ARG  42  -6.117  -9.421   5.260
  328    HE   ARG  42           HE       ARG  42  -6.727  -8.871   8.133
  329   1HH1  ARG  42          1HH2      ARG  42  -8.012  -9.265   5.075
  330   2HH1  ARG  42          2HH2      ARG  42  -9.277 -10.350   5.545
  331   1HH2  ARG  42          1HH1      ARG  42  -8.083 -10.766   8.774
  332   2HH2  ARG  42          2HH1      ARG  42  -9.318 -11.199   7.640
  333    H    CYS  43           H        CYS  43  -1.884 -10.424   2.893
  334    HA   CYS  43           HA       CYS  43   0.233 -10.026   1.911
  335   1HB   CYS  43          2HB       CYS  43   0.324  -7.494   3.560
  336   2HB   CYS  43          1HB       CYS  43   0.999  -7.782   1.958
  337    H    GLU  44           H        GLU  44   0.197 -11.731   4.080
  338    HA   GLU  44           HA       GLU  44   2.363 -10.831   5.926
  339   1HB   GLU  44          2HB       GLU  44   0.623 -13.317   5.958
  340   2HB   GLU  44          1HB       GLU  44   1.594 -12.690   7.291
  341   1HG   GLU  44          2HG       GLU  44  -0.201 -10.656   6.245
  342   2HG   GLU  44          1HG       GLU  44  -1.089 -12.089   6.767
  343    H    ARG  45           H        ARG  45   2.130 -12.385   2.992
  344    HA   ARG  45           HA       ARG  45   4.579 -14.023   3.562
  345   1HB   ARG  45          2HB       ARG  45   1.951 -14.708   2.499
  346   2HB   ARG  45          1HB       ARG  45   3.242 -15.167   1.389
  347   1HG   ARG  45          2HG       ARG  45   4.234 -16.616   2.923
  348   2HG   ARG  45          1HG       ARG  45   3.530 -15.787   4.312
  349   1HD   ARG  45          2HD       ARG  45   1.736 -17.171   4.288
  350   2HD   ARG  45          1HD       ARG  45   1.443 -16.827   2.572
  351    HE   ARG  45           HE       ARG  45   3.307 -18.503   2.103
  352   1HH1  ARG  45          1HH2      ARG  45   2.777 -18.412   5.402
  353   2HH1  ARG  45          2HH2      ARG  45   2.516 -20.114   5.592
  354   1HH2  ARG  45          1HH1      ARG  45   2.434 -20.752   2.185
  355   2HH2  ARG  45          2HH1      ARG  45   2.322 -21.439   3.770
  356    H    VAL  46           H        VAL  46   5.930 -14.352   1.575
  357    HA   VAL  46           HA       VAL  46   5.598 -12.144  -0.427
  358    HB   VAL  46           HB       VAL  46   7.274 -11.523   1.224
  359   1HG1  VAL  46          1HG1      VAL  46   9.312 -13.063   1.445
  360   2HG1  VAL  46          2HG1      VAL  46   8.321 -14.306   0.682
  361   3HG1  VAL  46          3HG1      VAL  46   7.830 -13.612   2.226
  362   1HG2  VAL  46          1HG2      VAL  46   8.509 -12.559  -1.347
  363   2HG2  VAL  46          2HG2      VAL  46   9.305 -11.440  -0.240
  364   3HG2  VAL  46          3HG2      VAL  46   7.833 -10.952  -1.080
  365    H    ASP  47           H        ASP  47   6.605 -12.629  -2.517
  366    HA   ASP  47           HA       ASP  47   6.695 -15.561  -3.069
  367   1HB   ASP  47          2HB       ASP  47   5.157 -13.834  -4.226
  368   2HB   ASP  47          1HB       ASP  47   6.614 -13.282  -5.053
  369    H    LEU  48           H        LEU  48   9.009 -14.699  -1.824
  370    HA   LEU  48           HA       LEU  48  10.983 -14.808  -4.065
  371   1HB   LEU  48          2HB       LEU  48  10.369 -12.581  -2.374
  372   2HB   LEU  48          1HB       LEU  48  11.985 -13.152  -1.958
  373    HG   LEU  48           HG       LEU  48  10.997 -12.417  -4.728
  374   1HD1  LEU  48          1HD1      LEU  48  12.004 -10.827  -2.660
  375   2HD1  LEU  48          2HD1      LEU  48  11.916 -10.387  -4.366
  376   3HD1  LEU  48          3HD1      LEU  48  13.391 -11.103  -3.714
  377   1HD2  LEU  48          1HD2      LEU  48  13.494 -12.780  -5.253
  378   2HD2  LEU  48          2HD2      LEU  48  12.511 -14.227  -5.030
  379   3HD2  LEU  48          3HD2      LEU  48  13.563 -13.667  -3.730
  380    H    PHE  49           H        PHE  49  10.360 -15.133  -0.574
  381    HA   PHE  49           HA       PHE  49  12.841 -16.378   0.132
  382   1HB   PHE  49          2HB       PHE  49  10.102 -16.030   1.232
  383   2HB   PHE  49          1HB       PHE  49  11.049 -17.346   1.925
  384    HD1  PHE  49           HD1      PHE  49  11.720 -16.540   4.041
  385    HD2  PHE  49           HD2      PHE  49  12.218 -14.069   0.563
  386    HE1  PHE  49           HE1      PHE  49  13.011 -14.904   5.387
  387    HE2  PHE  49           HE2      PHE  49  13.509 -12.434   1.909
  388    HZ   PHE  49           HZ       PHE  49  13.905 -12.852   4.321
  389    H    TYR  50           H        TYR  50   9.842 -17.647  -1.240
  390    HA   TYR  50           HA       TYR  50  10.694 -20.452  -0.882
  391   1HB   TYR  50          2HB       TYR  50   8.329 -19.072  -2.187
  392   2HB   TYR  50          1HB       TYR  50   8.500 -20.825  -2.083
  393    HD1  TYR  50           HD1      TYR  50   7.615 -17.786  -0.311
  394    HD2  TYR  50           HD2      TYR  50   8.663 -21.922   0.186
  395    HE1  TYR  50           HE1      TYR  50   6.701 -17.741   1.995
  396    HE2  TYR  50           HE2      TYR  50   7.750 -21.878   2.491
  397    HH   TYR  50           HH       TYR  50   7.369 -20.010   4.280
  Start of MODEL   19
    1   1H    ARG   1          H1        ARG   1   6.206  10.188 -15.285
    2   2H    ARG   1          H2        ARG   1   5.539  11.644 -15.852
    3   3H    ARG   1          H3        ARG   1   4.527  10.327 -15.488
    4    HA   ARG   1           HA       ARG   1   4.882  10.540 -13.175
    5   1HB   ARG   1          2HB       ARG   1   7.323  11.730 -14.261
    6   2HB   ARG   1          1HB       ARG   1   6.680  12.654 -12.903
    7   1HG   ARG   1          2HG       ARG   1   7.605  11.124 -11.532
    8   2HG   ARG   1          1HG       ARG   1   6.421   9.965 -12.138
    9   1HD   ARG   1          2HD       ARG   1   7.939   9.237 -13.894
   10   2HD   ARG   1          1HD       ARG   1   9.105  10.503 -13.458
   11    HE   ARG   1           HE       ARG   1   9.771   9.172 -11.624
   12   1HH1  ARG   1          1HH2      ARG   1   8.022   7.124 -13.407
   13   2HH1  ARG   1          2HH2      ARG   1   7.285   6.245 -12.108
   14   1HH2  ARG   1          1HH1      ARG   1   8.243   8.519  -9.672
   15   2HH2  ARG   1          2HH1      ARG   1   7.410   7.034  -9.995
   16    H    LYS   2           H        LYS   2   3.293  11.795 -12.262
   17    HA   LYS   2           HA       LYS   2   3.033  14.628 -12.567
   18   1HB   LYS   2          2HB       LYS   2   2.285  13.123 -14.821
   19   2HB   LYS   2          1HB       LYS   2   0.764  13.576 -14.051
   20   1HG   LYS   2          2HG       LYS   2   2.148  15.921 -13.870
   21   2HG   LYS   2          1HG       LYS   2   2.777  15.277 -15.387
   22   1HD   LYS   2          2HD       LYS   2  -0.184  15.250 -14.862
   23   2HD   LYS   2          1HD       LYS   2   0.596  16.726 -15.433
   24   1HE   LYS   2          2HE       LYS   2   1.558  14.500 -16.994
   25   2HE   LYS   2          1HE       LYS   2  -0.217  14.511 -17.009
   26   1HZ   LYS   2          1HZ       LYS   2   1.555  16.836 -17.552
   27   2HZ   LYS   2          2HZ       LYS   2  -0.141  16.900 -17.474
   28   3HZ   LYS   2          3HZ       LYS   2   0.622  16.005 -18.699
   29    H    GLY   3           H        GLY   3   2.095  15.007 -10.594
   30   1HA   GLY   3          2HA       GLY   3  -0.386  14.775  -9.701
   31   2HA   GLY   3          1HA       GLY   3   0.081  13.078  -9.566
   32    H    HIS   4           H        HIS   4  -0.564  13.967  -7.211
   33    HA   HIS   4           HA       HIS   4   1.923  14.023  -5.697
   34   1HB   HIS   4          2HB       HIS   4   1.543  16.382  -6.656
   35   2HB   HIS   4          1HB       HIS   4   0.176  16.488  -5.546
   36    HD1  HIS   4           HD1      HIS   4   1.592  18.417  -4.323
   37    HD2  HIS   4           HD2      HIS   4   3.210  14.583  -4.088
   38    HE1  HIS   4           HE1      HIS   4   3.319  18.481  -2.471
   39    H    PHE   5           H        PHE   5   0.956  12.284  -4.532
   40    HA   PHE   5           HA       PHE   5  -1.478  12.999  -2.927
   41   1HB   PHE   5          2HB       PHE   5  -0.427  10.282  -3.784
   42   2HB   PHE   5          1HB       PHE   5  -1.973  10.605  -2.997
   43    HD1  PHE   5           HD1      PHE   5  -3.628  12.170  -4.194
   44    HD2  PHE   5           HD2      PHE   5  -0.237  10.383  -6.134
   45    HE1  PHE   5           HE1      PHE   5  -4.673  12.587  -6.404
   46    HE2  PHE   5           HE2      PHE   5  -1.283  10.799  -8.345
   47    HZ   PHE   5           HZ       PHE   5  -3.501  11.902  -8.479
   48    H    SER   6           H        SER   6  -1.074  10.587  -1.272
   49    HA   SER   6           HA       SER   6   1.441  11.291   0.191
   50   1HB   SER   6          2HB       SER   6  -1.405  11.112   1.206
   51   2HB   SER   6          1HB       SER   6  -0.013  11.075   2.285
   52    HG   SER   6           HG       SER   6   0.409  13.125   1.832
   53    H    ARG   7           H        ARG   7   2.570   9.462   0.745
   54    HA   ARG   7           HA       ARG   7   1.405   6.817   0.189
   55   1HB   ARG   7          2HB       ARG   7   3.986   8.096   0.392
   56   2HB   ARG   7          1HB       ARG   7   3.966   6.644   1.393
   57   1HG   ARG   7          2HG       ARG   7   3.979   5.295  -0.414
   58   2HG   ARG   7          1HG       ARG   7   2.660   6.191  -1.170
   59   1HD   ARG   7          2HD       ARG   7   4.701   6.325  -2.562
   60   2HD   ARG   7          1HD       ARG   7   4.307   7.927  -1.906
   61    HE   ARG   7           HE       ARG   7   6.027   7.544  -0.162
   62   1HH1  ARG   7          1HH2      ARG   7   5.992   4.485  -0.735
   63   2HH1  ARG   7          2HH2      ARG   7   7.561   4.295  -1.443
   64   1HH2  ARG   7          1HH1      ARG   7   8.027   7.689  -1.978
   65   2HH2  ARG   7          2HH1      ARG   7   8.712   6.107  -2.146
   66    H    CYS   8           H        CYS   8   0.379   5.634   1.751
   67    HA   CYS   8           HA       CYS   8  -0.073   6.417   4.409
   68   1HB   CYS   8          2HB       CYS   8  -0.385   4.082   2.703
   69   2HB   CYS   8          1HB       CYS   8  -0.044   3.607   4.367
   70    HA   PRO   9           HA       PRO   9   3.970   5.728   6.135
   71   1HB   PRO   9          2HB       PRO   9   3.296   6.271   8.731
   72   2HB   PRO   9          1HB       PRO   9   3.536   7.538   7.511
   73   1HG   PRO   9          2HG       PRO   9   1.007   6.385   8.570
   74   2HG   PRO   9          1HG       PRO   9   1.389   8.056   8.125
   75   1HD   PRO   9          2HD       PRO   9  -0.054   6.351   6.546
   76   2HD   PRO   9          1HD       PRO   9   0.897   7.715   5.919
   77    H    LYS  10           H        LYS  10   4.958   4.107   7.533
   78    HA   LYS  10           HA       LYS  10   3.711   1.548   7.550
   79   1HB   LYS  10          2HB       LYS  10   6.077   2.865   8.841
   80   2HB   LYS  10          1HB       LYS  10   5.627   1.242   9.366
   81   1HG   LYS  10          2HG       LYS  10   6.725   0.438   7.573
   82   2HG   LYS  10          1HG       LYS  10   5.483   1.175   6.559
   83   1HD   LYS  10          2HD       LYS  10   6.814   3.333   6.683
   84   2HD   LYS  10          1HD       LYS  10   8.109   2.402   7.436
   85   1HE   LYS  10          2HE       LYS  10   6.938   1.374   4.870
   86   2HE   LYS  10          1HE       LYS  10   8.080   2.731   4.803
   87   1HZ   LYS  10          1HZ       LYS  10   9.566   1.435   6.266
   88   2HZ   LYS  10          2HZ       LYS  10   9.317   0.689   4.760
   89   3HZ   LYS  10          3HZ       LYS  10   8.512   0.112   6.141
   90    H    GLN  11           H        GLN  11   3.578   4.196   9.841
   91    HA   GLN  11           HA       GLN  11   2.767   2.770  12.183
   92   1HB   GLN  11          2HB       GLN  11   3.517   5.196  11.871
   93   2HB   GLN  11          1HB       GLN  11   1.878   5.530  11.309
   94   1HG   GLN  11          2HG       GLN  11   1.007   5.402  13.402
   95   2HG   GLN  11          1HG       GLN  11   1.992   4.001  13.823
   96   1HE2  GLN  11          1HE2      GLN  11   2.406   7.541  13.219
   97   2HE2  GLN  11          2HE2      GLN  11   3.589   7.751  14.418
   98    H    TYR  12           H        TYR  12   0.964   3.924   9.362
   99    HA   TYR  12           HA       TYR  12  -1.582   2.939  10.575
  100   1HB   TYR  12          2HB       TYR  12  -0.727   5.049   8.730
  101   2HB   TYR  12          1HB       TYR  12  -2.116   4.146   8.127
  102    HD1  TYR  12           HD1      TYR  12  -0.933   6.561  10.560
  103    HD2  TYR  12           HD2      TYR  12  -4.165   3.904   9.586
  104    HE1  TYR  12           HE1      TYR  12  -2.410   7.778  12.137
  105    HE2  TYR  12           HE2      TYR  12  -5.641   5.121  11.164
  106    HH   TYR  12           HH       TYR  12  -5.696   6.642  12.824
  107    H    LYS  13           H        LYS  13   0.833   1.546   8.952
  108    HA   LYS  13           HA       LYS  13  -0.720   0.277   6.777
  109   1HB   LYS  13          2HB       LYS  13   1.896   1.011   7.138
  110   2HB   LYS  13          1HB       LYS  13   1.969  -0.713   7.503
  111   1HG   LYS  13          2HG       LYS  13   1.300  -1.336   5.366
  112   2HG   LYS  13          1HG       LYS  13   0.453   0.185   5.077
  113   1HD   LYS  13          2HD       LYS  13   2.273   0.872   3.938
  114   2HD   LYS  13          1HD       LYS  13   3.124   0.927   5.482
  115   1HE   LYS  13          2HE       LYS  13   4.174  -1.119   5.133
  116   2HE   LYS  13          1HE       LYS  13   2.878  -1.718   4.078
  117   1HZ   LYS  13          1HZ       LYS  13   3.634   0.405   2.704
  118   2HZ   LYS  13          2HZ       LYS  13   4.348  -1.120   2.477
  119   3HZ   LYS  13          3HZ       LYS  13   5.117   0.045   3.446
  120    H    HIS  14           H        HIS  14  -1.782  -0.281   9.369
  121    HA   HIS  14           HA       HIS  14  -0.768  -2.921  10.208
  122   1HB   HIS  14          2HB       HIS  14  -2.867  -0.944  11.067
  123   2HB   HIS  14          1HB       HIS  14  -2.932  -2.594  11.688
  124    HD1  HIS  14           HD1      HIS  14  -2.002  -2.412  14.012
  125    HD2  HIS  14           HD2      HIS  14   0.335  -0.355  11.241
  126    HE1  HIS  14           HE1      HIS  14   0.046  -1.604  15.262
  127    H    TYR  15           H        TYR  15  -3.001  -1.667   7.946
  128    HA   TYR  15           HA       TYR  15  -4.705  -4.089   7.919
  129   1HB   TYR  15          2HB       TYR  15  -5.795  -2.771   6.035
  130   2HB   TYR  15          1HB       TYR  15  -5.783  -1.950   7.595
  131    HD1  TYR  15           HD1      TYR  15  -5.064   0.258   7.656
  132    HD2  TYR  15           HD2      TYR  15  -3.592  -2.338   4.566
  133    HE1  TYR  15           HE1      TYR  15  -3.818   2.155   6.658
  134    HE2  TYR  15           HE2      TYR  15  -2.346  -0.439   3.567
  135    HH   TYR  15           HH       TYR  15  -1.386   1.779   4.421
  136    H    CYS  16           H        CYS  16  -1.665  -3.366   6.849
  137    HA   CYS  16           HA       CYS  16  -1.765  -5.474   4.782
  138   1HB   CYS  16          2HB       CYS  16  -1.565  -2.548   4.271
  139   2HB   CYS  16          1HB       CYS  16  -0.481  -3.579   3.335
  140    H    ILE  17           H        ILE  17   0.080  -6.664   5.096
  141    HA   ILE  17           HA       ILE  17   2.268  -5.591   6.738
  142    HB   ILE  17           HB       ILE  17   1.782  -8.224   5.311
  143   1HG1  ILE  17          2HG1      ILE  17   0.190  -7.606   7.147
  144   2HG1  ILE  17          1HG1      ILE  17   1.157  -9.033   7.524
  145   1HG2  ILE  17          1HG2      ILE  17   4.058  -8.365   5.635
  146   2HG2  ILE  17          2HG2      ILE  17   3.532  -8.846   7.249
  147   3HG2  ILE  17          3HG2      ILE  17   4.050  -7.187   6.948
  148   1HD1  ILE  17          1HD1      ILE  17   2.614  -6.716   8.364
  149   2HD1  ILE  17          2HD1      ILE  17   1.963  -8.018   9.360
  150   3HD1  ILE  17          3HD1      ILE  17   0.974  -6.602   9.003
  151    H    LYS  18           H        LYS  18   2.723  -7.560   3.814
  152    HA   LYS  18           HA       LYS  18   4.933  -5.769   2.995
  153   1HB   LYS  18          2HB       LYS  18   5.451  -7.607   1.475
  154   2HB   LYS  18          1HB       LYS  18   5.088  -8.272   3.068
  155   1HG   LYS  18          2HG       LYS  18   2.663  -8.501   2.207
  156   2HG   LYS  18          1HG       LYS  18   3.351  -8.264   0.602
  157   1HD   LYS  18          2HD       LYS  18   4.303 -10.373   2.556
  158   2HD   LYS  18          1HD       LYS  18   3.154 -10.678   1.253
  159   1HE   LYS  18          2HE       LYS  18   5.117 -11.216   0.136
  160   2HE   LYS  18          1HE       LYS  18   5.101  -9.469  -0.178
  161   1HZ   LYS  18          1HZ       LYS  18   6.671  -9.069   1.386
  162   2HZ   LYS  18          2HZ       LYS  18   7.132 -10.663   1.019
  163   3HZ   LYS  18          3HZ       LYS  18   6.176 -10.345   2.387
  164    H    GLY  19           H        GLY  19   2.757  -4.246   2.688
  165   1HA   GLY  19          2HA       GLY  19   2.453  -4.102  -0.250
  166   2HA   GLY  19          1HA       GLY  19   0.967  -4.250   0.689
  167    H    ARG  20           H        ARG  20   1.569  -1.984  -0.915
  168    HA   ARG  20           HA       ARG  20   2.055   0.126   1.165
  169   1HB   ARG  20          2HB       ARG  20   2.977   1.449  -0.623
  170   2HB   ARG  20          1HB       ARG  20   3.669  -0.165  -0.794
  171   1HG   ARG  20          2HG       ARG  20   2.082  -0.729  -2.536
  172   2HG   ARG  20          1HG       ARG  20   1.208   0.783  -2.286
  173   1HD   ARG  20          2HD       ARG  20   2.947   2.085  -3.220
  174   2HD   ARG  20          1HD       ARG  20   4.141   0.785  -3.024
  175    HE   ARG  20           HE       ARG  20   1.877   0.028  -4.710
  176   1HH1  ARG  20          1HH2      ARG  20   5.129  -0.178  -4.562
  177   2HH1  ARG  20          2HH2      ARG  20   5.456   0.270  -6.203
  178   1HH2  ARG  20          1HH1      ARG  20   2.219   1.344  -6.832
  179   2HH2  ARG  20          2HH1      ARG  20   3.807   1.132  -7.489
  180    H    CYS  21           H        CYS  21   0.436   1.680   1.412
  181    HA   CYS  21           HA       CYS  21  -1.992   1.346  -0.316
  182   1HB   CYS  21          2HB       CYS  21  -2.403   0.723   1.958
  183   2HB   CYS  21          1HB       CYS  21  -1.537   2.133   2.566
  184    H    ARG  22           H        ARG  22  -2.724   3.134  -1.418
  185    HA   ARG  22           HA       ARG  22  -1.201   5.677  -1.123
  186   1HB   ARG  22          2HB       ARG  22  -1.520   4.473  -3.324
  187   2HB   ARG  22          1HB       ARG  22  -3.248   4.808  -3.188
  188   1HG   ARG  22          2HG       ARG  22  -2.951   7.122  -3.428
  189   2HG   ARG  22          1HG       ARG  22  -1.253   7.049  -2.953
  190   1HD   ARG  22          2HD       ARG  22  -1.376   7.407  -5.371
  191   2HD   ARG  22          1HD       ARG  22  -0.796   5.755  -5.081
  192    HE   ARG  22           HE       ARG  22  -2.758   5.049  -6.175
  193   1HH1  ARG  22          1HH1      ARG  22  -3.229   8.255  -6.230
  194   2HH1  ARG  22          2HH1      ARG  22  -4.921   8.248  -5.860
  195   1HH2  ARG  22          1HH2      ARG  22  -4.976   4.910  -4.929
  196   2HH2  ARG  22          2HH2      ARG  22  -5.910   6.355  -5.124
  197    H    PHE  23           H        PHE  23  -2.139   7.313   0.047
  198    HA   PHE  23           HA       PHE  23  -5.103   7.210   0.490
  199   1HB   PHE  23          2HB       PHE  23  -3.182   7.073   2.322
  200   2HB   PHE  23          1HB       PHE  23  -3.192   8.827   2.138
  201    HD1  PHE  23           HD1      PHE  23  -5.752   9.793   1.929
  202    HD2  PHE  23           HD2      PHE  23  -4.529   6.246   4.024
  203    HE1  PHE  23           HE1      PHE  23  -7.780   9.931   3.350
  204    HE2  PHE  23           HE2      PHE  23  -6.556   6.386   5.444
  205    HZ   PHE  23           HZ       PHE  23  -8.182   8.228   5.108
  206    H    VAL  24           H        VAL  24  -6.076   8.634  -0.936
  207    HA   VAL  24           HA       VAL  24  -4.670  11.115  -1.744
  208    HB   VAL  24           HB       VAL  24  -7.439  10.117  -2.460
  209   1HG1  VAL  24          1HG1      VAL  24  -7.070  12.384  -3.164
  210   2HG1  VAL  24          2HG1      VAL  24  -6.861  11.370  -4.593
  211   3HG1  VAL  24          3HG1      VAL  24  -5.449  12.002  -3.746
  212   1HG2  VAL  24          1HG2      VAL  24  -6.328   9.052  -4.421
  213   2HG2  VAL  24          2HG2      VAL  24  -5.817   8.329  -2.896
  214   3HG2  VAL  24          3HG2      VAL  24  -4.759   9.467  -3.729
  215    H    VAL  25           H        VAL  25  -4.961  12.970  -0.592
  216    HA   VAL  25           HA       VAL  25  -7.034  13.158   1.479
  217    HB   VAL  25           HB       VAL  25  -4.891  15.044   0.446
  218   1HG1  VAL  25          1HG1      VAL  25  -5.276  16.210   2.642
  219   2HG1  VAL  25          2HG1      VAL  25  -6.706  15.202   2.870
  220   3HG1  VAL  25          3HG1      VAL  25  -6.633  16.341   1.524
  221   1HG2  VAL  25          1HG2      VAL  25  -4.945  12.775   2.311
  222   2HG2  VAL  25          2HG2      VAL  25  -4.261  14.239   3.020
  223   3HG2  VAL  25          3HG2      VAL  25  -3.566  13.566   1.546
  224    H    ALA  26           H        ALA  26  -6.157  15.194  -1.358
  225    HA   ALA  26           HA       ALA  26  -8.225  17.012  -1.436
  226   1HB   ALA  26          1HB       ALA  26  -6.474  16.910  -3.113
  227   2HB   ALA  26          2HB       ALA  26  -8.019  16.774  -3.950
  228   3HB   ALA  26          3HB       ALA  26  -7.038  15.335  -3.672
  229    H    GLU  27           H        GLU  27  -8.424  13.570  -2.060
  230    HA   GLU  27           HA       GLU  27 -11.400  13.763  -2.075
  231   1HB   GLU  27          2HB       GLU  27  -9.607  13.068  -4.270
  232   2HB   GLU  27          1HB       GLU  27 -10.718  11.746  -3.907
  233   1HG   GLU  27          2HG       GLU  27 -12.569  13.535  -3.895
  234   2HG   GLU  27          1HG       GLU  27 -11.388  14.590  -4.672
  235    H    GLN  28           H        GLN  28 -11.469  12.801  -0.006
  236    HA   GLN  28           HA       GLN  28 -10.046  10.905   1.285
  237   1HB   GLN  28          2HB       GLN  28 -12.985  11.342   0.924
  238   2HB   GLN  28          1HB       GLN  28 -12.457   9.952   1.873
  239   1HG   GLN  28          2HG       GLN  28 -10.876  12.169   2.690
  240   2HG   GLN  28          1HG       GLN  28 -12.555  12.710   2.659
  241   1HE2  GLN  28          1HE2      GLN  28 -10.292  10.524   4.245
  242   2HE2  GLN  28          2HE2      GLN  28 -11.362   9.996   5.453
  243    H    THR  29           H        THR  29  -8.918   9.491  -0.199
  244    HA   THR  29           HA       THR  29 -10.591   7.171  -1.075
  245    HB   THR  29           HB       THR  29  -8.526   8.653  -2.734
  246    HG1  THR  29           1HG      THR  29 -10.176   9.607  -3.637
  247   1HG2  THR  29          1HG2      THR  29 -10.163   6.849  -4.228
  248   2HG2  THR  29          2HG2      THR  29  -9.472   5.969  -2.865
  249   3HG2  THR  29          3HG2      THR  29  -8.414   6.805  -4.002
  250    HA   PRO  30           HA       PRO  30  -6.754   5.804   1.023
  251   1HB   PRO  30          2HB       PRO  30  -7.979   4.139   2.807
  252   2HB   PRO  30          1HB       PRO  30  -7.764   5.874   3.102
  253   1HG   PRO  30          2HG       PRO  30 -10.193   4.379   2.356
  254   2HG   PRO  30          1HG       PRO  30 -10.025   5.885   3.266
  255   1HD   PRO  30          2HD       PRO  30 -10.774   5.633   0.569
  256   2HD   PRO  30          1HD       PRO  30 -10.326   7.132   1.410
  257    H    SER  31           H        SER  31  -6.452   4.688  -1.110
  258    HA   SER  31           HA       SER  31  -7.741   2.045  -1.436
  259   1HB   SER  31          2HB       SER  31  -7.379   3.668  -3.305
  260   2HB   SER  31          1HB       SER  31  -5.640   3.504  -3.075
  261    HG   SER  31           HG       SER  31  -6.157   2.037  -4.616
  262    H    CYS  32           H        CYS  32  -6.729   0.125  -0.921
  263    HA   CYS  32           HA       CYS  32  -3.974   0.282   0.212
  264   1HB   CYS  32          2HB       CYS  32  -4.615  -1.805   1.310
  265   2HB   CYS  32          1HB       CYS  32  -5.907  -0.625   1.528
  266    H    VAL  33           H        VAL  33  -2.285  -0.679  -0.856
  267    HA   VAL  33           HA       VAL  33  -2.921  -2.564  -3.104
  268    HB   VAL  33           HB       VAL  33  -0.615  -0.607  -3.027
  269   1HG1  VAL  33          1HG1      VAL  33  -2.092  -1.749  -5.402
  270   2HG1  VAL  33          2HG1      VAL  33  -0.747  -2.601  -4.644
  271   3HG1  VAL  33          3HG1      VAL  33  -0.491  -1.013  -5.366
  272   1HG2  VAL  33          1HG2      VAL  33  -2.467   0.470  -4.769
  273   2HG2  VAL  33          2HG2      VAL  33  -2.174   1.045  -3.128
  274   3HG2  VAL  33          3HG2      VAL  33  -3.484  -0.093  -3.442
  275    H    CYS  34           H        CYS  34  -1.362  -4.273  -3.390
  276    HA   CYS  34           HA       CYS  34   0.565  -4.585  -1.107
  277   1HB   CYS  34          2HB       CYS  34  -0.922  -6.769  -2.589
  278   2HB   CYS  34          1HB       CYS  34  -0.041  -6.913  -1.068
  279    H    ASP  35           H        ASP  35   2.464  -5.965  -1.650
  280    HA   ASP  35           HA       ASP  35   3.804  -5.195  -4.029
  281   1HB   ASP  35          2HB       ASP  35   4.113  -7.108  -1.800
  282   2HB   ASP  35          1HB       ASP  35   4.981  -7.558  -3.267
  283    H    GLU  36           H        GLU  36   3.355  -5.814  -6.109
  284    HA   GLU  36           HA       GLU  36   1.459  -7.612  -7.022
  285   1HB   GLU  36          2HB       GLU  36   4.163  -6.776  -8.082
  286   2HB   GLU  36          1HB       GLU  36   3.076  -7.789  -9.033
  287   1HG   GLU  36          2HG       GLU  36   2.347  -5.728  -9.754
  288   2HG   GLU  36          1HG       GLU  36   1.324  -5.890  -8.327
  289    H    GLY  37           H        GLY  37   4.813  -8.360  -6.084
  290   1HA   GLY  37          2HA       GLY  37   4.394 -11.223  -6.680
  291   2HA   GLY  37          1HA       GLY  37   5.904 -10.491  -6.137
  292    H    TYR  38           H        TYR  38   2.633 -10.346  -4.715
  293    HA   TYR  38           HA       TYR  38   3.792 -11.586  -2.245
  294   1HB   TYR  38          2HB       TYR  38   2.912  -9.860  -0.991
  295   2HB   TYR  38          1HB       TYR  38   3.138  -8.994  -2.506
  296    HD1  TYR  38           HD1      TYR  38   0.913  -9.344   0.051
  297    HD2  TYR  38           HD2      TYR  38   1.004  -9.635  -4.233
  298    HE1  TYR  38           HE1      TYR  38  -1.524  -8.888  -0.033
  299    HE2  TYR  38           HE2      TYR  38  -1.430  -9.176  -4.317
  300    HH   TYR  38           HH       TYR  38  -3.162  -8.199  -2.993
  301    H    ILE  39           H        ILE  39   2.096 -12.648  -0.865
  302    HA   ILE  39           HA       ILE  39  -0.295 -13.553  -2.421
  303    HB   ILE  39           HB       ILE  39   1.888 -15.162  -1.086
  304   1HG1  ILE  39          2HG1      ILE  39   0.607 -15.114  -3.834
  305   2HG1  ILE  39          1HG1      ILE  39   2.271 -14.696  -3.422
  306   1HG2  ILE  39          1HG2      ILE  39  -0.858 -16.126  -1.948
  307   2HG2  ILE  39          2HG2      ILE  39  -0.284 -16.018  -0.284
  308   3HG2  ILE  39          3HG2      ILE  39   0.465 -17.157  -1.403
  309   1HD1  ILE  39          1HD1      ILE  39   2.812 -16.840  -3.863
  310   2HD1  ILE  39          2HD1      ILE  39   1.116 -17.309  -3.970
  311   3HD1  ILE  39          3HD1      ILE  39   1.926 -17.279  -2.403
  312    H    GLY  40           H        GLY  40  -1.988 -14.468  -0.992
  313   1HA   GLY  40          2HA       GLY  40  -2.940 -14.854   1.203
  314   2HA   GLY  40          1HA       GLY  40  -1.668 -13.846   1.897
  315    H    ALA  41           H        ALA  41  -4.293 -13.341   2.607
  316    HA   ALA  41           HA       ALA  41  -5.339 -11.163   0.905
  317   1HB   ALA  41          1HB       ALA  41  -6.658 -12.976   2.170
  318   2HB   ALA  41          2HB       ALA  41  -7.234 -11.319   2.351
  319   3HB   ALA  41          3HB       ALA  41  -6.283 -12.067   3.634
  320    H    ARG  42           H        ARG  42  -3.740 -11.582   4.050
  321    HA   ARG  42           HA       ARG  42  -3.861  -8.673   4.598
  322   1HB   ARG  42          2HB       ARG  42  -3.669 -11.122   6.057
  323   2HB   ARG  42          1HB       ARG  42  -2.234 -10.165   6.427
  324   1HG   ARG  42          2HG       ARG  42  -4.405  -8.355   6.417
  325   2HG   ARG  42          1HG       ARG  42  -4.946  -9.767   7.326
  326   1HD   ARG  42          2HD       ARG  42  -3.452  -9.400   9.028
  327   2HD   ARG  42          1HD       ARG  42  -2.186  -8.829   7.924
  328    HE   ARG  42           HE       ARG  42  -3.338  -6.659   7.819
  329   1HH1  ARG  42          1HH1      ARG  42  -3.327  -8.200  10.730
  330   2HH1  ARG  42          2HH1      ARG  42  -4.687  -7.370  11.409
  331   1HH2  ARG  42          1HH2      ARG  42  -5.622  -5.898   8.412
  332   2HH2  ARG  42          2HH2      ARG  42  -5.985  -6.066  10.097
  333    H    CYS  43           H        CYS  43  -2.029 -10.459   2.593
  334    HA   CYS  43           HA       CYS  43   0.052 -10.018   1.560
  335   1HB   CYS  43          2HB       CYS  43   0.344  -7.736   3.523
  336   2HB   CYS  43          1HB       CYS  43   0.958  -7.844   1.877
  337    H    GLU  44           H        GLU  44  -0.073 -11.931   3.638
  338    HA   GLU  44           HA       GLU  44   2.325 -11.418   5.334
  339   1HB   GLU  44          2HB       GLU  44   0.303 -12.184   6.444
  340   2HB   GLU  44          1HB       GLU  44   0.146 -13.528   5.312
  341   1HG   GLU  44          2HG       GLU  44   1.165 -14.595   7.108
  342   2HG   GLU  44          1HG       GLU  44   2.576 -14.122   6.161
  343    H    ARG  45           H        ARG  45   1.207 -13.360   2.631
  344    HA   ARG  45           HA       ARG  45   3.567 -15.149   2.768
  345   1HB   ARG  45          2HB       ARG  45   1.024 -14.937   1.171
  346   2HB   ARG  45          1HB       ARG  45   2.331 -15.975   0.604
  347   1HG   ARG  45          2HG       ARG  45   1.202 -16.128   3.408
  348   2HG   ARG  45          1HG       ARG  45   0.616 -17.127   2.077
  349   1HD   ARG  45          2HD       ARG  45   3.307 -17.529   1.846
  350   2HD   ARG  45          1HD       ARG  45   3.144 -17.333   3.603
  351    HE   ARG  45           HE       ARG  45   1.174 -19.100   2.271
  352   1HH1  ARG  45          1HH1      ARG  45   3.831 -20.434   2.181
  353   2HH1  ARG  45          2HH1      ARG  45   3.884 -21.268   3.698
  354   1HH2  ARG  45          1HH2      ARG  45   1.308 -19.419   5.103
  355   2HH2  ARG  45          2HH2      ARG  45   2.455 -20.692   5.354
  356    H    VAL  46           H        VAL  46   4.917 -15.388   0.770
  357    HA   VAL  46           HA       VAL  46   5.009 -12.946  -0.947
  358    HB   VAL  46           HB       VAL  46   6.531 -12.507   0.863
  359   1HG1  VAL  46          1HG1      VAL  46   8.447 -14.496   0.887
  360   2HG1  VAL  46          2HG1      VAL  46   6.955 -15.408   0.660
  361   3HG1  VAL  46          3HG1      VAL  46   7.132 -14.341   2.053
  362   1HG2  VAL  46          1HG2      VAL  46   7.393 -12.839  -1.806
  363   2HG2  VAL  46          2HG2      VAL  46   8.683 -13.495  -0.800
  364   3HG2  VAL  46          3HG2      VAL  46   8.140 -11.833  -0.566
  365    H    ASP  47           H        ASP  47   5.848 -13.363  -3.037
  366    HA   ASP  47           HA       ASP  47   6.324 -16.257  -3.660
  367   1HB   ASP  47          2HB       ASP  47   4.411 -14.575  -4.589
  368   2HB   ASP  47          1HB       ASP  47   5.678 -14.274  -5.780
  369    H    LEU  48           H        LEU  48   8.552 -14.908  -2.706
  370    HA   LEU  48           HA       LEU  48  10.082 -14.059  -5.130
  371   1HB   LEU  48          2HB       LEU  48   9.823 -12.678  -2.956
  372   2HB   LEU  48          1HB       LEU  48  10.924 -13.855  -2.236
  373    HG   LEU  48           HG       LEU  48  11.902 -12.948  -4.818
  374   1HD1  LEU  48          1HD1      LEU  48  11.616 -10.837  -2.662
  375   2HD1  LEU  48          2HD1      LEU  48  10.620 -10.899  -4.115
  376   3HD1  LEU  48          3HD1      LEU  48  12.359 -10.636  -4.247
  377   1HD2  LEU  48          1HD2      LEU  48  13.734 -12.170  -2.973
  378   2HD2  LEU  48          2HD2      LEU  48  13.587 -13.833  -3.542
  379   3HD2  LEU  48          3HD2      LEU  48  12.829 -13.348  -2.025
  380    H    PHE  49           H        PHE  49  10.569 -15.986  -2.148
  381    HA   PHE  49           HA       PHE  49  12.952 -17.303  -2.941
  382   1HB   PHE  49          2HB       PHE  49  10.808 -17.552  -0.951
  383   2HB   PHE  49          1HB       PHE  49  11.553 -19.098  -1.357
  384    HD1  PHE  49           HD1      PHE  49  11.717 -16.814   1.076
  385    HD2  PHE  49           HD2      PHE  49  14.313 -18.456  -1.926
  386    HE1  PHE  49           HE1      PHE  49  13.689 -16.231   2.463
  387    HE2  PHE  49           HE2      PHE  49  16.286 -17.873  -0.540
  388    HZ   PHE  49           HZ       PHE  49  15.974 -16.760   1.655
  389    H    TYR  50           H        TYR  50   9.705 -18.822  -2.888
  390    HA   TYR  50           HA       TYR  50  10.367 -21.061  -4.492
  391   1HB   TYR  50          2HB       TYR  50   7.722 -19.582  -4.326
  392   2HB   TYR  50          1HB       TYR  50   7.952 -21.295  -4.677
  393    HD1  TYR  50           HD1      TYR  50   6.639 -19.470  -2.243
  394    HD2  TYR  50           HD2      TYR  50   9.992 -22.106  -2.745
  395    HE1  TYR  50           HE1      TYR  50   6.604 -19.975   0.185
  396    HE2  TYR  50           HE2      TYR  50   9.959 -22.612  -0.318
  397    HH   TYR  50           HH       TYR  50   7.462 -21.225   1.812
  Start of MODEL   20
    1   1H    ARG   1          H1        ARG   1  -1.783  11.958 -12.875
    2   2H    ARG   1          H2        ARG   1  -2.381  12.534 -14.358
    3   3H    ARG   1          H3        ARG   1  -2.374  13.544 -12.991
    4    HA   ARG   1           HA       ARG   1  -0.141  12.763 -14.739
    5   1HB   ARG   1          2HB       ARG   1  -1.025  15.265 -13.260
    6   2HB   ARG   1          1HB       ARG   1   0.280  15.183 -14.444
    7   1HG   ARG   1          2HG       ARG   1  -1.891  13.993 -15.737
    8   2HG   ARG   1          1HG       ARG   1  -2.594  15.366 -14.882
    9   1HD   ARG   1          2HD       ARG   1  -1.297  16.929 -16.051
   10   2HD   ARG   1          1HD       ARG   1  -0.046  15.736 -16.450
   11    HE   ARG   1           HE       ARG   1  -2.608  14.980 -17.567
   12   1HH1  ARG   1          1HH1      ARG   1  -0.171  14.500 -19.095
   13   2HH1  ARG   1          2HH1      ARG   1  -0.196  15.741 -20.304
   14   1HH2  ARG   1          1HH2      ARG   1  -2.526  17.690 -18.632
   15   2HH2  ARG   1          2HH2      ARG   1  -1.529  17.547 -20.041
   16    H    LYS   2           H        LYS   2   1.373  11.552 -13.610
   17    HA   LYS   2           HA       LYS   2   2.946  11.005 -11.932
   18   1HB   LYS   2          2HB       LYS   2   2.517  13.985 -11.688
   19   2HB   LYS   2          1HB       LYS   2   3.675  13.145 -10.656
   20   1HG   LYS   2          2HG       LYS   2   3.742  12.713 -13.630
   21   2HG   LYS   2          1HG       LYS   2   4.492  14.152 -12.936
   22   1HD   LYS   2          2HD       LYS   2   5.080  11.388 -11.872
   23   2HD   LYS   2          1HD       LYS   2   5.995  12.081 -13.211
   24   1HE   LYS   2          2HE       LYS   2   6.256  14.153 -11.607
   25   2HE   LYS   2          1HE       LYS   2   5.895  12.966 -10.338
   26   1HZ   LYS   2          1HZ       LYS   2   7.766  11.793 -10.758
   27   2HZ   LYS   2          2HZ       LYS   2   8.331  13.291 -11.329
   28   3HZ   LYS   2          3HZ       LYS   2   7.748  12.128 -12.422
   29    H    GLY   3           H        GLY   3   3.175  10.804  -9.529
   30   1HA   GLY   3          2HA       GLY   3   0.504  10.643  -8.262
   31   2HA   GLY   3          1HA       GLY   3   1.984   9.904  -7.647
   32    H    HIS   4           H        HIS   4  -0.128  11.997  -6.618
   33    HA   HIS   4           HA       HIS   4   1.916  13.683  -5.257
   34   1HB   HIS   4          2HB       HIS   4   1.140  14.874  -7.287
   35   2HB   HIS   4          1HB       HIS   4  -0.528  14.709  -6.738
   36    HD1  HIS   4           HD1      HIS   4  -1.388  16.562  -5.300
   37    HD2  HIS   4           HD2      HIS   4   2.779  16.421  -5.300
   38    HE1  HIS   4           HE1      HIS   4  -0.603  18.561  -3.957
   39    H    PHE   5           H        PHE   5   0.553  11.569  -4.063
   40    HA   PHE   5           HA       PHE   5  -1.537  12.949  -2.408
   41   1HB   PHE   5          2HB       PHE   5  -1.208   9.992  -3.005
   42   2HB   PHE   5          1HB       PHE   5  -2.587  10.766  -2.223
   43    HD1  PHE   5           HD1      PHE   5  -3.920  12.502  -3.549
   44    HD2  PHE   5           HD2      PHE   5  -1.090   9.826  -5.362
   45    HE1  PHE   5           HE1      PHE   5  -4.952  12.912  -5.766
   46    HE2  PHE   5           HE2      PHE   5  -2.124  10.236  -7.579
   47    HZ   PHE   5           HZ       PHE   5  -4.055  11.779  -7.781
   48    H    SER   6           H        SER   6  -1.496  10.541  -0.623
   49    HA   SER   6           HA       SER   6   1.081  11.119   0.805
   50   1HB   SER   6          2HB       SER   6  -1.742  10.585   1.760
   51   2HB   SER   6          1HB       SER   6  -0.354  10.570   2.844
   52    HG   SER   6           HG       SER   6  -0.707  12.645   2.917
   53    H    ARG   7           H        ARG   7   2.317   9.335   1.333
   54    HA   ARG   7           HA       ARG   7   1.308   6.665   0.503
   55   1HB   ARG   7          2HB       ARG   7   3.730   8.087   0.335
   56   2HB   ARG   7          1HB       ARG   7   4.031   6.798   1.502
   57   1HG   ARG   7          2HG       ARG   7   2.871   5.249  -0.226
   58   2HG   ARG   7          1HG       ARG   7   3.154   6.560  -1.372
   59   1HD   ARG   7          2HD       ARG   7   5.618   6.396  -0.222
   60   2HD   ARG   7          1HD       ARG   7   5.101   4.701  -0.131
   61    HE   ARG   7           HE       ARG   7   4.653   6.092  -2.707
   62   1HH1  ARG   7          1HH1      ARG   7   7.578   5.740  -2.380
   63   2HH1  ARG   7          2HH1      ARG   7   7.844   4.150  -3.014
   64   1HH2  ARG   7          1HH2      ARG   7   4.504   3.233  -2.838
   65   2HH2  ARG   7          2HH2      ARG   7   6.103   2.731  -3.273
   66    H    CYS   8           H        CYS   8   0.191   5.658   2.151
   67    HA   CYS   8           HA       CYS   8   0.283   6.112   4.900
   68   1HB   CYS   8          2HB       CYS   8  -0.373   3.856   3.077
   69   2HB   CYS   8          1HB       CYS   8  -0.187   3.447   4.783
   70    HA   PRO   9           HA       PRO   9   4.497   4.835   5.709
   71   1HB   PRO   9          2HB       PRO   9   4.437   5.399   8.390
   72   2HB   PRO   9          1HB       PRO   9   4.649   6.644   7.142
   73   1HG   PRO   9          2HG       PRO   9   2.197   5.874   8.650
   74   2HG   PRO   9          1HG       PRO   9   2.776   7.481   8.182
   75   1HD   PRO   9          2HD       PRO   9   0.799   6.176   6.853
   76   2HD   PRO   9          1HD       PRO   9   1.901   7.327   6.066
   77    H    LYS  10           H        LYS  10   5.453   3.314   7.506
   78    HA   LYS  10           HA       LYS  10   4.161   0.783   7.401
   79   1HB   LYS  10          2HB       LYS  10   6.540   1.035   7.749
   80   2HB   LYS  10          1HB       LYS  10   6.275   1.973   9.220
   81   1HG   LYS  10          2HG       LYS  10   6.853  -0.291   9.863
   82   2HG   LYS  10          1HG       LYS  10   5.144  -0.036  10.218
   83   1HD   LYS  10          2HD       LYS  10   4.686  -1.846   8.960
   84   2HD   LYS  10          1HD       LYS  10   5.224  -0.929   7.552
   85   1HE   LYS  10          2HE       LYS  10   7.444  -2.022   9.152
   86   2HE   LYS  10          1HE       LYS  10   6.407  -3.261   8.416
   87   1HZ   LYS  10          1HZ       LYS  10   6.574  -2.121   6.305
   88   2HZ   LYS  10          2HZ       LYS  10   8.130  -2.497   6.872
   89   3HZ   LYS  10          3HZ       LYS  10   7.539  -0.908   6.993
   90    H    GLN  11           H        GLN  11   4.226   3.241   9.994
   91    HA   GLN  11           HA       GLN  11   2.788   1.714  11.947
   92   1HB   GLN  11          2HB       GLN  11   3.228   4.656  11.404
   93   2HB   GLN  11          1HB       GLN  11   2.334   4.095  12.817
   94   1HG   GLN  11          2HG       GLN  11   4.257   3.637  13.889
   95   2HG   GLN  11          1HG       GLN  11   4.756   2.566  12.578
   96   1HE2  GLN  11          1HE2      GLN  11   6.616   3.227  11.502
   97   2HE2  GLN  11          2HE2      GLN  11   7.186   4.824  11.430
   98    H    TYR  12           H        TYR  12   1.744   3.355   9.068
   99    HA   TYR  12           HA       TYR  12  -1.094   3.381   9.982
  100   1HB   TYR  12          2HB       TYR  12   0.614   4.899   8.197
  101   2HB   TYR  12          1HB       TYR  12  -0.834   4.355   7.350
  102    HD1  TYR  12           HD1      TYR  12   0.511   6.646   9.802
  103    HD2  TYR  12           HD2      TYR  12  -3.109   4.817   8.388
  104    HE1  TYR  12           HE1      TYR  12  -0.822   8.392  10.954
  105    HE2  TYR  12           HE2      TYR  12  -4.442   6.562   9.540
  106    HH   TYR  12           HH       TYR  12  -2.857   9.247  11.261
  107    H    LYS  13           H        LYS  13   1.078   1.398   8.279
  108    HA   LYS  13           HA       LYS  13  -0.919   0.274   6.418
  109   1HB   LYS  13          2HB       LYS  13   1.902   0.464   6.655
  110   2HB   LYS  13          1HB       LYS  13   1.510  -1.255   6.719
  111   1HG   LYS  13          2HG       LYS  13   0.769  -1.301   4.562
  112   2HG   LYS  13          1HG       LYS  13   0.044   0.304   4.671
  113   1HD   LYS  13          2HD       LYS  13   2.054   0.132   3.124
  114   2HD   LYS  13          1HD       LYS  13   2.168   1.379   4.368
  115   1HE   LYS  13          2HE       LYS  13   3.605   0.000   5.734
  116   2HE   LYS  13          1HE       LYS  13   3.332  -1.409   4.688
  117   1HZ   LYS  13          1HZ       LYS  13   4.422  -0.382   2.904
  118   2HZ   LYS  13          2HZ       LYS  13   5.417  -0.055   4.242
  119   3HZ   LYS  13          3HZ       LYS  13   4.385   1.148   3.633
  120    H    HIS  14           H        HIS  14  -2.067  -0.088   8.821
  121    HA   HIS  14           HA       HIS  14  -1.205  -2.617  10.069
  122   1HB   HIS  14          2HB       HIS  14  -3.470  -0.642  10.455
  123   2HB   HIS  14          1HB       HIS  14  -3.329  -2.112  11.416
  124    HD1  HIS  14           HD1      HIS  14  -3.101   0.325  13.061
  125    HD2  HIS  14           HD2      HIS  14   0.217  -1.226  11.071
  126    HE1  HIS  14           HE1      HIS  14  -1.061   1.231  14.258
  127    H    TYR  15           H        TYR  15  -3.300  -1.569   7.554
  128    HA   TYR  15           HA       TYR  15  -4.976  -4.008   7.649
  129   1HB   TYR  15          2HB       TYR  15  -5.927  -2.868   5.541
  130   2HB   TYR  15          1HB       TYR  15  -6.130  -2.001   7.061
  131    HD1  TYR  15           HD1      TYR  15  -5.408   0.212   7.235
  132    HD2  TYR  15           HD2      TYR  15  -3.762  -2.301   4.165
  133    HE1  TYR  15           HE1      TYR  15  -4.193   2.158   6.296
  134    HE2  TYR  15           HE2      TYR  15  -2.545  -0.354   3.226
  135    HH   TYR  15           HH       TYR  15  -1.680   1.998   4.365
  136    H    CYS  16           H        CYS  16  -1.913  -3.212   6.567
  137    HA   CYS  16           HA       CYS  16  -1.789  -5.597   4.844
  138   1HB   CYS  16          2HB       CYS  16  -1.839  -2.775   3.853
  139   2HB   CYS  16          1HB       CYS  16  -0.754  -3.906   3.044
  140    H    ILE  17           H        ILE  17   0.201  -6.502   5.243
  141    HA   ILE  17           HA       ILE  17   2.243  -4.987   6.709
  142    HB   ILE  17           HB       ILE  17   2.042  -7.809   5.613
  143   1HG1  ILE  17          2HG1      ILE  17   2.058  -7.004   8.510
  144   2HG1  ILE  17          1HG1      ILE  17   0.568  -6.861   7.576
  145   1HG2  ILE  17          1HG2      ILE  17   4.199  -8.157   6.168
  146   2HG2  ILE  17          2HG2      ILE  17   3.954  -7.435   7.758
  147   3HG2  ILE  17          3HG2      ILE  17   4.368  -6.414   6.380
  148   1HD1  ILE  17          1HD1      ILE  17   2.028  -9.295   8.452
  149   2HD1  ILE  17          2HD1      ILE  17   1.333  -9.346   6.832
  150   3HD1  ILE  17          3HD1      ILE  17   0.297  -9.040   8.227
  151    H    LYS  18           H        LYS  18   2.730  -7.128   3.885
  152    HA   LYS  18           HA       LYS  18   4.868  -5.321   2.925
  153   1HB   LYS  18          2HB       LYS  18   5.369  -7.202   1.448
  154   2HB   LYS  18          1HB       LYS  18   5.097  -7.807   3.081
  155   1HG   LYS  18          2HG       LYS  18   2.614  -8.068   2.287
  156   2HG   LYS  18          1HG       LYS  18   3.315  -8.014   0.670
  157   1HD   LYS  18          2HD       LYS  18   3.106 -10.343   1.543
  158   2HD   LYS  18          1HD       LYS  18   4.777  -9.895   1.200
  159   1HE   LYS  18          2HE       LYS  18   4.068  -9.155   3.920
  160   2HE   LYS  18          1HE       LYS  18   3.803 -10.887   3.639
  161   1HZ   LYS  18          1HZ       LYS  18   5.970 -11.248   3.181
  162   2HZ   LYS  18          2HZ       LYS  18   6.204  -9.866   4.141
  163   3HZ   LYS  18          3HZ       LYS  18   6.194  -9.736   2.447
  164    H    GLY  19           H        GLY  19   2.848  -3.740   2.554
  165   1HA   GLY  19          2HA       GLY  19   2.418  -3.693  -0.338
  166   2HA   GLY  19          1HA       GLY  19   0.940  -3.945   0.591
  167    H    ARG  20           H        ARG  20   2.315  -1.573  -0.985
  168    HA   ARG  20           HA       ARG  20   2.212   0.511   1.137
  169   1HB   ARG  20          2HB       ARG  20   3.093   0.335  -1.747
  170   2HB   ARG  20          1HB       ARG  20   2.910   1.899  -0.952
  171   1HG   ARG  20          2HG       ARG  20   4.979   1.620  -0.106
  172   2HG   ARG  20          1HG       ARG  20   4.329   0.310   0.880
  173   1HD   ARG  20          2HD       ARG  20   4.782  -1.294  -0.963
  174   2HD   ARG  20          1HD       ARG  20   5.488   0.027  -1.916
  175    HE   ARG  20           HE       ARG  20   6.873   0.263   0.412
  176   1HH1  ARG  20          1HH2      ARG  20   6.347  -2.504   1.219
  177   2HH1  ARG  20          2HH2      ARG  20   7.615  -3.395   0.445
  178   1HH2  ARG  20          1HH1      ARG  20   8.395  -0.858  -1.786
  179   2HH2  ARG  20          2HH1      ARG  20   8.775  -2.462  -1.256
  180    H    CYS  21           H        CYS  21   0.429   1.839   1.356
  181    HA   CYS  21           HA       CYS  21  -1.687   1.650  -0.766
  182   1HB   CYS  21          2HB       CYS  21  -2.329   0.575   1.308
  183   2HB   CYS  21          1HB       CYS  21  -1.815   1.979   2.244
  184    H    ARG  22           H        ARG  22  -2.310   3.560  -1.689
  185    HA   ARG  22           HA       ARG  22  -1.155   6.094  -0.630
  186   1HB   ARG  22          2HB       ARG  22  -1.130   5.073  -3.090
  187   2HB   ARG  22          1HB       ARG  22  -2.716   5.840  -3.179
  188   1HG   ARG  22          2HG       ARG  22  -1.361   7.588  -3.886
  189   2HG   ARG  22          1HG       ARG  22  -1.419   7.906  -2.151
  190   1HD   ARG  22          2HD       ARG  22   0.903   8.023  -2.739
  191   2HD   ARG  22          1HD       ARG  22   0.699   6.425  -1.993
  192    HE   ARG  22           HE       ARG  22   1.303   5.547  -4.094
  193   1HH1  ARG  22          1HH1      ARG  22   2.135   8.124  -5.289
  194   2HH1  ARG  22          2HH1      ARG  22   1.059   8.286  -6.636
  195   1HH2  ARG  22          1HH2      ARG  22  -1.191   5.921  -5.468
  196   2HH2  ARG  22          2HH2      ARG  22  -0.823   7.040  -6.738
  197    H    PHE  23           H        PHE  23  -2.484   7.409   0.564
  198    HA   PHE  23           HA       PHE  23  -5.448   7.028   0.315
  199   1HB   PHE  23          2HB       PHE  23  -3.991   6.640   2.475
  200   2HB   PHE  23          1HB       PHE  23  -4.040   8.399   2.590
  201    HD1  PHE  23           HD1      PHE  23  -6.615   9.247   1.804
  202    HD2  PHE  23           HD2      PHE  23  -5.552   5.642   3.883
  203    HE1  PHE  23           HE1      PHE  23  -8.899   9.125   2.761
  204    HE2  PHE  23           HE2      PHE  23  -7.837   5.519   4.840
  205    HZ   PHE  23           HZ       PHE  23  -9.510   7.261   4.278
  206    H    VAL  24           H        VAL  24  -6.297   8.639  -0.978
  207    HA   VAL  24           HA       VAL  24  -4.990  11.272  -1.171
  208    HB   VAL  24           HB       VAL  24  -7.631  10.322  -2.308
  209   1HG1  VAL  24          1HG1      VAL  24  -6.485  12.796  -2.380
  210   2HG1  VAL  24          2HG1      VAL  24  -7.541  12.167  -3.645
  211   3HG1  VAL  24          3HG1      VAL  24  -5.790  12.069  -3.828
  212   1HG2  VAL  24          1HG2      VAL  24  -5.487  10.141  -4.195
  213   2HG2  VAL  24          2HG2      VAL  24  -6.513   8.842  -3.587
  214   3HG2  VAL  24          3HG2      VAL  24  -5.017   9.250  -2.747
  215    H    VAL  25           H        VAL  25  -5.404  12.793   0.374
  216    HA   VAL  25           HA       VAL  25  -7.732  12.617   2.141
  217    HB   VAL  25           HB       VAL  25  -5.644  14.792   1.808
  218   1HG1  VAL  25          1HG1      VAL  25  -7.908  14.779   3.354
  219   2HG1  VAL  25          2HG1      VAL  25  -6.441  15.674   3.749
  220   3HG1  VAL  25          3HG1      VAL  25  -6.724  14.087   4.462
  221   1HG2  VAL  25          1HG2      VAL  25  -5.533  12.452   3.721
  222   2HG2  VAL  25          2HG2      VAL  25  -4.243  13.582   3.307
  223   3HG2  VAL  25          3HG2      VAL  25  -4.784  12.388   2.126
  224    H    ALA  26           H        ALA  26  -6.528  15.301   0.070
  225    HA   ALA  26           HA       ALA  26  -8.696  17.001   0.063
  226   1HB   ALA  26          1HB       ALA  26  -7.755  17.843  -1.900
  227   2HB   ALA  26          2HB       ALA  26  -7.467  16.236  -2.567
  228   3HB   ALA  26          3HB       ALA  26  -6.417  16.866  -1.297
  229    H    GLU  27           H        GLU  27  -8.388  13.983  -1.773
  230    HA   GLU  27           HA       GLU  27 -11.326  14.114  -2.368
  231   1HB   GLU  27          2HB       GLU  27  -9.197  14.153  -4.136
  232   2HB   GLU  27          1HB       GLU  27  -9.624  12.442  -4.094
  233   1HG   GLU  27          2HG       GLU  27 -12.093  13.424  -4.294
  234   2HG   GLU  27          1HG       GLU  27 -11.236  14.775  -5.037
  235    H    GLN  28           H        GLN  28 -11.843  12.870  -0.484
  236    HA   GLN  28           HA       GLN  28 -10.741  10.724   0.746
  237   1HB   GLN  28          2HB       GLN  28 -13.397  11.703   0.178
  238   2HB   GLN  28          1HB       GLN  28 -13.415   9.941   0.244
  239   1HG   GLN  28          2HG       GLN  28 -11.924  11.455   2.360
  240   2HG   GLN  28          1HG       GLN  28 -13.681  11.348   2.463
  241   1HE2  GLN  28          1HE2      GLN  28 -11.056   9.025   1.561
  242   2HE2  GLN  28          2HE2      GLN  28 -11.621   7.779   2.566
  243    H    THR  29           H        THR  29  -9.360   9.499  -0.686
  244    HA   THR  29           HA       THR  29 -10.828   7.377  -2.171
  245    HB   THR  29           HB       THR  29  -8.866   9.375  -3.302
  246    HG1  THR  29           1HG      THR  29 -11.218   9.606  -3.393
  247   1HG2  THR  29          1HG2      THR  29  -9.135   7.761  -5.382
  248   2HG2  THR  29          2HG2      THR  29  -9.391   6.547  -4.129
  249   3HG2  THR  29          3HG2      THR  29  -7.885   7.463  -4.173
  250    HA   PRO  30           HA       PRO  30  -7.173   5.792   0.090
  251   1HB   PRO  30          2HB       PRO  30  -8.502   3.838   1.458
  252   2HB   PRO  30          1HB       PRO  30  -8.390   5.511   2.036
  253   1HG   PRO  30          2HG       PRO  30 -10.668   4.088   0.821
  254   2HG   PRO  30          1HG       PRO  30 -10.655   5.441   1.957
  255   1HD   PRO  30          2HD       PRO  30 -11.113   5.581  -0.815
  256   2HD   PRO  30          1HD       PRO  30 -10.825   6.946   0.284
  257    H    SER  31           H        SER  31  -5.934   4.213  -0.891
  258    HA   SER  31           HA       SER  31  -7.257   1.830  -2.078
  259   1HB   SER  31          2HB       SER  31  -6.412   2.290  -4.267
  260   2HB   SER  31          1HB       SER  31  -7.108   3.810  -3.714
  261    HG   SER  31           HG       SER  31  -4.466   3.087  -4.144
  262    H    CYS  32           H        CYS  32  -6.061   0.151  -1.254
  263    HA   CYS  32           HA       CYS  32  -3.216   0.611  -0.537
  264   1HB   CYS  32          2HB       CYS  32  -4.593  -0.388   1.155
  265   2HB   CYS  32          1HB       CYS  32  -5.261  -1.552   0.010
  266    H    VAL  33           H        VAL  33  -1.555  -0.823  -1.289
  267    HA   VAL  33           HA       VAL  33  -2.244  -2.564  -3.618
  268    HB   VAL  33           HB       VAL  33  -0.316  -0.241  -3.457
  269   1HG1  VAL  33          1HG1      VAL  33   1.074  -1.905  -4.394
  270   2HG1  VAL  33          2HG1      VAL  33   0.380  -1.101  -5.803
  271   3HG1  VAL  33          3HG1      VAL  33  -0.263  -2.654  -5.267
  272   1HG2  VAL  33          1HG2      VAL  33  -1.989   0.719  -4.631
  273   2HG2  VAL  33          2HG2      VAL  33  -2.861  -0.811  -4.723
  274   3HG2  VAL  33          3HG2      VAL  33  -1.646  -0.413  -5.939
  275    H    CYS  34           H        CYS  34  -1.370  -4.546  -3.183
  276    HA   CYS  34           HA       CYS  34   0.867  -4.755  -1.236
  277   1HB   CYS  34          2HB       CYS  34  -0.717  -6.967  -2.561
  278   2HB   CYS  34          1HB       CYS  34   0.134  -7.018  -1.018
  279    H    ASP  35           H        ASP  35   2.728  -6.130  -1.766
  280    HA   ASP  35           HA       ASP  35   4.052  -5.593  -4.171
  281   1HB   ASP  35          2HB       ASP  35   4.361  -7.198  -1.843
  282   2HB   ASP  35          1HB       ASP  35   4.710  -8.233  -3.228
  283    H    GLU  36           H        GLU  36   3.724  -6.282  -6.256
  284    HA   GLU  36           HA       GLU  36   1.566  -7.755  -7.202
  285   1HB   GLU  36          2HB       GLU  36   3.073  -6.492  -8.625
  286   2HB   GLU  36          1HB       GLU  36   4.419  -7.556  -8.217
  287   1HG   GLU  36          2HG       GLU  36   3.786  -9.107  -9.737
  288   2HG   GLU  36          1HG       GLU  36   2.095  -9.015  -9.242
  289    H    GLY  37           H        GLY  37   4.803  -9.063  -6.388
  290   1HA   GLY  37          2HA       GLY  37   3.791 -11.815  -6.741
  291   2HA   GLY  37          1HA       GLY  37   5.460 -11.365  -6.397
  292    H    TYR  38           H        TYR  38   2.455 -10.513  -4.656
  293    HA   TYR  38           HA       TYR  38   3.708 -11.705  -2.208
  294   1HB   TYR  38          2HB       TYR  38   2.947  -9.858  -1.053
  295   2HB   TYR  38          1HB       TYR  38   3.060  -9.130  -2.651
  296    HD1  TYR  38           HD1      TYR  38   1.006  -9.358   0.110
  297    HD2  TYR  38           HD2      TYR  38   0.824  -9.764  -4.163
  298    HE1  TYR  38           HE1      TYR  38  -1.428  -8.887   0.166
  299    HE2  TYR  38           HE2      TYR  38  -1.607  -9.290  -4.106
  300    HH   TYR  38           HH       TYR  38  -3.200  -8.049  -2.517
  301    H    ILE  39           H        ILE  39   2.095 -12.616  -0.630
  302    HA   ILE  39           HA       ILE  39  -0.426 -13.573  -1.924
  303    HB   ILE  39           HB       ILE  39   1.631 -15.249  -0.446
  304   1HG1  ILE  39          2HG1      ILE  39   2.278 -14.486  -2.763
  305   2HG1  ILE  39          1HG1      ILE  39   2.121 -16.236  -2.606
  306   1HG2  ILE  39          1HG2      ILE  39  -1.142 -15.730  -1.432
  307   2HG2  ILE  39          2HG2      ILE  39  -0.307 -16.422  -0.041
  308   3HG2  ILE  39          3HG2      ILE  39   0.029 -17.028  -1.663
  309   1HD1  ILE  39          1HD1      ILE  39   1.011 -15.218  -4.661
  310   2HD1  ILE  39          2HD1      ILE  39  -0.146 -14.474  -3.557
  311   3HD1  ILE  39          3HD1      ILE  39  -0.028 -16.231  -3.659
  312    H    GLY  40           H        GLY  40  -2.083 -14.126  -0.373
  313   1HA   GLY  40          2HA       GLY  40  -2.801 -14.447   1.957
  314   2HA   GLY  40          1HA       GLY  40  -1.479 -13.390   2.457
  315    H    ALA  41           H        ALA  41  -4.476 -13.199   2.857
  316    HA   ALA  41           HA       ALA  41  -5.442 -10.977   1.272
  317   1HB   ALA  41          1HB       ALA  41  -6.548 -11.354   3.972
  318   2HB   ALA  41          2HB       ALA  41  -6.450 -12.848   3.040
  319   3HB   ALA  41          3HB       ALA  41  -7.353 -11.471   2.407
  320    H    ARG  42           H        ARG  42  -3.741 -11.264   4.368
  321    HA   ARG  42           HA       ARG  42  -3.908  -8.335   4.818
  322   1HB   ARG  42          2HB       ARG  42  -3.423 -10.794   6.346
  323   2HB   ARG  42          1HB       ARG  42  -2.324  -9.486   6.786
  324   1HG   ARG  42          2HG       ARG  42  -4.010  -8.154   7.605
  325   2HG   ARG  42          1HG       ARG  42  -5.199  -8.777   6.462
  326   1HD   ARG  42          2HD       ARG  42  -4.645 -11.024   7.956
  327   2HD   ARG  42          1HD       ARG  42  -4.543  -9.734   9.170
  328    HE   ARG  42           HE       ARG  42  -6.797  -8.990   7.896
  329   1HH1  ARG  42          1HH1      ARG  42  -6.370 -11.069  10.314
  330   2HH1  ARG  42          2HH1      ARG  42  -7.648 -12.170   9.919
  331   1HH2  ARG  42          1HH2      ARG  42  -8.163 -10.856   6.752
  332   2HH2  ARG  42          2HH2      ARG  42  -8.663 -12.050   7.903
  333    H    CYS  43           H        CYS  43  -2.048 -10.244   2.915
  334    HA   CYS  43           HA       CYS  43   0.031  -9.843   1.853
  335   1HB   CYS  43          2HB       CYS  43   0.252  -7.386   3.596
  336   2HB   CYS  43          1HB       CYS  43   0.842  -7.620   1.953
  337    H    GLU  44           H        GLU  44  -0.047 -11.543   4.123
  338    HA   GLU  44           HA       GLU  44   2.394 -10.806   5.686
  339   1HB   GLU  44          2HB       GLU  44   1.548 -12.513   7.245
  340   2HB   GLU  44          1HB       GLU  44   0.266 -11.363   6.858
  341   1HG   GLU  44          2HG       GLU  44  -1.001 -13.117   6.232
  342   2HG   GLU  44          1HG       GLU  44   0.094 -13.331   4.865
  343    H    ARG  45           H        ARG  45   1.319 -12.813   3.119
  344    HA   ARG  45           HA       ARG  45   3.619 -14.693   3.502
  345   1HB   ARG  45          2HB       ARG  45   0.859 -14.948   2.767
  346   2HB   ARG  45          1HB       ARG  45   1.846 -15.467   1.401
  347   1HG   ARG  45          2HG       ARG  45   3.190 -16.651   3.444
  348   2HG   ARG  45          1HG       ARG  45   1.548 -16.684   4.087
  349   1HD   ARG  45          2HD       ARG  45   1.415 -18.622   2.846
  350   2HD   ARG  45          1HD       ARG  45   1.091 -17.492   1.517
  351    HE   ARG  45           HE       ARG  45   3.666 -17.471   1.238
  352   1HH1  ARG  45          1HH2      ARG  45   3.201 -19.720   3.547
  353   2HH1  ARG  45          2HH2      ARG  45   3.761 -21.089   2.645
  354   1HH2  ARG  45          1HH1      ARG  45   3.818 -19.404  -0.385
  355   2HH2  ARG  45          2HH1      ARG  45   4.110 -20.911   0.420
  356    H    VAL  46           H        VAL  46   4.692 -15.349   1.392
  357    HA   VAL  46           HA       VAL  46   4.649 -13.169  -0.659
  358    HB   VAL  46           HB       VAL  46   6.460 -12.716   0.908
  359   1HG1  VAL  46          1HG1      VAL  46   8.245 -14.443   1.248
  360   2HG1  VAL  46          2HG1      VAL  46   7.239 -15.599   0.374
  361   3HG1  VAL  46          3HG1      VAL  46   6.681 -14.926   1.906
  362   1HG2  VAL  46          1HG2      VAL  46   8.444 -13.439  -0.773
  363   2HG2  VAL  46          2HG2      VAL  46   7.331 -12.119  -1.137
  364   3HG2  VAL  46          3HG2      VAL  46   7.062 -13.716  -1.833
  365    H    ASP  47           H        ASP  47   5.223 -13.902  -2.776
  366    HA   ASP  47           HA       ASP  47   5.210 -16.880  -3.089
  367   1HB   ASP  47          2HB       ASP  47   3.473 -15.128  -4.057
  368   2HB   ASP  47          1HB       ASP  47   4.710 -14.908  -5.295
  369    H    LEU  48           H        LEU  48   7.699 -16.108  -2.438
  370    HA   LEU  48           HA       LEU  48   9.153 -16.058  -5.059
  371   1HB   LEU  48          2HB       LEU  48   9.207 -14.224  -2.752
  372   2HB   LEU  48          1HB       LEU  48  10.805 -14.748  -3.284
  373    HG   LEU  48           HG       LEU  48   9.518 -14.223  -5.672
  374   1HD1  LEU  48          1HD1      LEU  48   8.140 -12.382  -5.500
  375   2HD1  LEU  48          2HD1      LEU  48   8.935 -11.794  -4.039
  376   3HD1  LEU  48          3HD1      LEU  48   7.789 -13.131  -3.942
  377   1HD2  LEU  48          1HD2      LEU  48  10.924 -12.135  -5.643
  378   2HD2  LEU  48          2HD2      LEU  48  11.806 -13.586  -5.168
  379   3HD2  LEU  48          3HD2      LEU  48  11.260 -12.444  -3.940
  380    H    PHE  49           H        PHE  49  11.476 -16.847  -4.736
  381    HA   PHE  49           HA       PHE  49  11.444 -19.300  -3.105
  382   1HB   PHE  49          2HB       PHE  49  12.917 -18.114  -5.369
  383   2HB   PHE  49          1HB       PHE  49  13.921 -19.082  -4.288
  384    HD1  PHE  49           HD1      PHE  49  11.139 -19.121  -6.677
  385    HD2  PHE  49           HD2      PHE  49  13.438 -21.471  -3.912
  386    HE1  PHE  49           HE1      PHE  49  10.213 -21.196  -7.671
  387    HE2  PHE  49           HE2      PHE  49  12.512 -23.546  -4.906
  388    HZ   PHE  49           HZ       PHE  49  10.900 -23.408  -6.785
  389    H    TYR  50           H        TYR  50  12.192 -16.112  -2.472
  390    HA   TYR  50           HA       TYR  50  14.658 -15.969  -1.206
  391   1HB   TYR  50          2HB       TYR  50  12.836 -14.220  -1.465
  392   2HB   TYR  50          1HB       TYR  50  12.046 -14.941  -0.063
  393    HD1  TYR  50           HD1      TYR  50  13.668 -15.345   2.021
  394    HD2  TYR  50           HD2      TYR  50  14.321 -12.463  -1.097
  395    HE1  TYR  50           HE1      TYR  50  15.154 -14.052   3.528
  396    HE2  TYR  50           HE2      TYR  50  15.807 -11.170   0.410
  397    HH   TYR  50           HH       TYR  50  17.310 -12.069   2.723
  Start of MODEL   21
    1   1H    ARG   1          H1        ARG   1   0.282  18.645 -14.652
    2   2H    ARG   1          H2        ARG   1   0.679  17.906 -16.128
    3   3H    ARG   1          H3        ARG   1   1.792  18.937 -15.364
    4    HA   ARG   1           HA       ARG   1   0.955  16.215 -14.531
    5   1HB   ARG   1          2HB       ARG   1   2.747  16.643 -16.253
    6   2HB   ARG   1          1HB       ARG   1   3.640  17.539 -15.024
    7   1HG   ARG   1          2HG       ARG   1   4.320  15.647 -13.974
    8   2HG   ARG   1          1HG       ARG   1   2.734  14.890 -14.126
    9   1HD   ARG   1          2HD       ARG   1   3.243  13.915 -16.166
   10   2HD   ARG   1          1HD       ARG   1   4.374  15.208 -16.615
   11    HE   ARG   1           HE       ARG   1   5.813  14.238 -14.668
   12   1HH1  ARG   1          1HH2      ARG   1   3.502  12.040 -14.698
   13   2HH1  ARG   1          2HH2      ARG   1   4.405  10.723 -15.370
   14   1HH2  ARG   1          1HH1      ARG   1   7.059  12.711 -16.383
   15   2HH2  ARG   1          2HH1      ARG   1   6.418  11.103 -16.325
   16    H    LYS   2           H        LYS   2   0.170  16.640 -12.416
   17    HA   LYS   2           HA       LYS   2   2.123  17.961 -10.556
   18   1HB   LYS   2          2HB       LYS   2  -0.781  18.233 -11.049
   19   2HB   LYS   2          1HB       LYS   2  -0.328  18.154  -9.346
   20   1HG   LYS   2          2HG       LYS   2   0.460  20.260  -9.409
   21   2HG   LYS   2          1HG       LYS   2   1.512  19.865 -10.769
   22   1HD   LYS   2          2HD       LYS   2  -0.152  20.408 -12.363
   23   2HD   LYS   2          1HD       LYS   2  -1.441  20.357 -11.159
   24   1HE   LYS   2          2HE       LYS   2   0.532  22.284 -10.323
   25   2HE   LYS   2          1HE       LYS   2   0.027  22.640 -11.986
   26   1HZ   LYS   2          1HZ       LYS   2  -1.608  23.628 -10.654
   27   2HZ   LYS   2          2HZ       LYS   2  -1.675  22.309  -9.586
   28   3HZ   LYS   2          3HZ       LYS   2  -2.310  22.168 -11.156
   29    H    GLY   3           H        GLY   3  -0.850  16.234  -9.740
   30   1HA   GLY   3          2HA       GLY   3  -1.198  14.235  -8.554
   31   2HA   GLY   3          1HA       GLY   3   0.396  13.714  -9.103
   32    H    HIS   4           H        HIS   4  -1.350  14.497  -6.381
   33    HA   HIS   4           HA       HIS   4   1.137  14.698  -4.773
   34   1HB   HIS   4          2HB       HIS   4  -1.021  16.787  -5.048
   35   2HB   HIS   4          1HB       HIS   4  -0.056  16.685  -3.576
   36    HD1  HIS   4           HD1      HIS   4   2.670  15.925  -4.861
   37    HD2  HIS   4           HD2      HIS   4   0.211  18.993  -6.245
   38    HE1  HIS   4           HE1      HIS   4   4.164  17.518  -6.143
   39    H    PHE   5           H        PHE   5   0.024  12.446  -4.441
   40    HA   PHE   5           HA       PHE   5  -2.323  12.534  -2.632
   41   1HB   PHE   5          2HB       PHE   5  -0.674  10.234  -3.732
   42   2HB   PHE   5          1HB       PHE   5  -2.254  10.101  -2.957
   43    HD1  PHE   5           HD1      PHE   5  -4.242  11.290  -4.024
   44    HD2  PHE   5           HD2      PHE   5  -0.490  10.734  -6.039
   45    HE1  PHE   5           HE1      PHE   5  -5.350  11.713  -6.203
   46    HE2  PHE   5           HE2      PHE   5  -1.597  11.157  -8.218
   47    HZ   PHE   5           HZ       PHE   5  -4.027  11.646  -8.300
   48    H    SER   6           H        SER   6  -1.517  10.147  -1.158
   49    HA   SER   6           HA       SER   6   0.804  11.142   0.446
   50   1HB   SER   6          2HB       SER   6  -1.971  10.379   1.403
   51   2HB   SER   6          1HB       SER   6  -0.604  10.655   2.478
   52    HG   SER   6           HG       SER   6  -1.438  12.546   0.543
   53    H    ARG   7           H        ARG   7   2.122   9.476   1.159
   54    HA   ARG   7           HA       ARG   7   1.320   6.700   0.425
   55   1HB   ARG   7          2HB       ARG   7   3.414   7.559  -0.477
   56   2HB   ARG   7          1HB       ARG   7   3.956   8.028   1.135
   57   1HG   ARG   7          2HG       ARG   7   3.447   5.425   1.601
   58   2HG   ARG   7          1HG       ARG   7   3.844   5.329  -0.115
   59   1HD   ARG   7          2HD       ARG   7   5.900   5.043   1.187
   60   2HD   ARG   7          1HD       ARG   7   5.961   6.624   0.382
   61    HE   ARG   7           HE       ARG   7   4.703   6.711   3.021
   62   1HH1  ARG   7          1HH1      ARG   7   7.722   5.656   2.674
   63   2HH1  ARG   7          2HH1      ARG   7   8.543   7.081   3.218
   64   1HH2  ARG   7          1HH2      ARG   7   5.715   9.083   3.094
   65   2HH2  ARG   7          2HH2      ARG   7   7.407   9.021   3.455
   66    H    CYS   8           H        CYS   8   0.384   5.592   2.107
   67    HA   CYS   8           HA       CYS   8   0.508   6.291   4.859
   68   1HB   CYS   8          2HB       CYS   8  -0.613   4.302   3.147
   69   2HB   CYS   8          1HB       CYS   8   0.155   3.467   4.497
   70    HA   PRO   9           HA       PRO   9   4.677   4.889   5.620
   71   1HB   PRO   9          2HB       PRO   9   4.709   5.493   8.289
   72   2HB   PRO   9          1HB       PRO   9   4.899   6.720   7.020
   73   1HG   PRO   9          2HG       PRO   9   2.503   6.028   8.640
   74   2HG   PRO   9          1HG       PRO   9   3.074   7.609   8.083
   75   1HD   PRO   9          2HD       PRO   9   1.030   6.225   6.904
   76   2HD   PRO   9          1HD       PRO   9   2.046   7.410   6.053
   77    H    LYS  10           H        LYS  10   5.633   3.407   7.495
   78    HA   LYS  10           HA       LYS  10   4.212   0.910   7.463
   79   1HB   LYS  10          2HB       LYS  10   6.532   2.010   9.077
   80   2HB   LYS  10          1HB       LYS  10   6.038   0.317   9.127
   81   1HG   LYS  10          2HG       LYS  10   6.166   0.742   6.431
   82   2HG   LYS  10          1HG       LYS  10   7.457   1.800   7.002
   83   1HD   LYS  10          2HD       LYS  10   8.539  -0.025   8.155
   84   2HD   LYS  10          1HD       LYS  10   7.176  -1.098   7.836
   85   1HE   LYS  10          2HE       LYS  10   8.347  -1.754   5.991
   86   2HE   LYS  10          1HE       LYS  10   7.881  -0.187   5.298
   87   1HZ   LYS  10          1HZ       LYS  10  10.360  -0.678   5.456
   88   2HZ   LYS  10          2HZ       LYS  10  10.188  -0.456   7.132
   89   3HZ   LYS  10          3HZ       LYS  10   9.833   0.815   6.062
   90    H    GLN  11           H        GLN  11   4.209   3.624   9.686
   91    HA   GLN  11           HA       GLN  11   3.171   2.285  12.006
   92   1HB   GLN  11          2HB       GLN  11   4.166   4.699  11.512
   93   2HB   GLN  11          1HB       GLN  11   2.464   5.112  11.297
   94   1HG   GLN  11          2HG       GLN  11   2.216   5.206  13.529
   95   2HG   GLN  11          1HG       GLN  11   2.656   3.501  13.638
   96   1HE2  GLN  11          1HE2      GLN  11   3.789   4.097  15.710
   97   2HE2  GLN  11          2HE2      GLN  11   5.332   4.798  15.635
   98    H    TYR  12           H        TYR  12   1.714   3.225   8.996
   99    HA   TYR  12           HA       TYR  12  -1.024   2.812  10.144
  100   1HB   TYR  12          2HB       TYR  12   0.200   4.488   8.010
  101   2HB   TYR  12          1HB       TYR  12  -1.415   3.862   7.678
  102    HD1  TYR  12           HD1      TYR  12   0.233   6.613   8.949
  103    HD2  TYR  12           HD2      TYR  12  -2.966   3.931   9.960
  104    HE1  TYR  12           HE1      TYR  12  -0.746   8.342  10.435
  105    HE2  TYR  12           HE2      TYR  12  -3.945   5.658  11.447
  106    HH   TYR  12           HH       TYR  12  -2.305   8.289  12.536
  107    H    LYS  13           H        LYS  13   1.256   0.954   8.837
  108    HA   LYS  13           HA       LYS  13  -0.301  -0.295   6.659
  109   1HB   LYS  13          2HB       LYS  13   2.423  -0.546   7.900
  110   2HB   LYS  13          1HB       LYS  13   1.822  -1.854   6.880
  111   1HG   LYS  13          2HG       LYS  13   1.863   1.049   6.014
  112   2HG   LYS  13          1HG       LYS  13   3.155  -0.094   5.646
  113   1HD   LYS  13          2HD       LYS  13   1.431  -1.586   4.577
  114   2HD   LYS  13          1HD       LYS  13   0.252  -0.295   4.802
  115   1HE   LYS  13          2HE       LYS  13   2.868   0.105   3.312
  116   2HE   LYS  13          1HE       LYS  13   1.337  -0.302   2.510
  117   1HZ   LYS  13          1HZ       LYS  13   0.304   1.614   3.459
  118   2HZ   LYS  13          2HZ       LYS  13   1.737   2.128   2.704
  119   3HZ   LYS  13          3HZ       LYS  13   1.674   1.969   4.395
  120    H    HIS  14           H        HIS  14  -1.736  -0.472   9.070
  121    HA   HIS  14           HA       HIS  14  -1.168  -3.078  10.331
  122   1HB   HIS  14          2HB       HIS  14  -3.407  -1.038  10.578
  123   2HB   HIS  14          1HB       HIS  14  -3.230  -2.450  11.620
  124    HD1  HIS  14           HD1      HIS  14  -2.860   0.792  12.250
  125    HD2  HIS  14           HD2      HIS  14   0.059  -2.182  12.130
  126    HE1  HIS  14           HE1      HIS  14  -0.921   1.636  13.641
  127    H    TYR  15           H        TYR  15  -3.111  -1.747   7.790
  128    HA   TYR  15           HA       TYR  15  -4.848  -4.142   7.610
  129   1HB   TYR  15          2HB       TYR  15  -5.731  -2.785   5.621
  130   2HB   TYR  15          1HB       TYR  15  -5.904  -2.021   7.200
  131    HD1  TYR  15           HD1      TYR  15  -5.153   0.168   7.472
  132    HD2  TYR  15           HD2      TYR  15  -3.443  -2.265   4.373
  133    HE1  TYR  15           HE1      TYR  15  -3.817   2.105   6.690
  134    HE2  TYR  15           HE2      TYR  15  -2.106  -0.328   3.590
  135    HH   TYR  15           HH       TYR  15  -1.448   2.261   5.308
  136    H    CYS  16           H        CYS  16  -1.729  -3.353   6.739
  137    HA   CYS  16           HA       CYS  16  -1.601  -5.529   4.761
  138   1HB   CYS  16          2HB       CYS  16  -1.507  -2.612   4.097
  139   2HB   CYS  16          1HB       CYS  16  -0.425  -3.689   3.215
  140    H    ILE  17           H        ILE  17   0.217  -6.581   5.522
  141    HA   ILE  17           HA       ILE  17   2.293  -5.184   7.024
  142    HB   ILE  17           HB       ILE  17   1.820  -7.976   5.984
  143   1HG1  ILE  17          2HG1      ILE  17   2.157  -6.876   8.789
  144   2HG1  ILE  17          1HG1      ILE  17   0.597  -7.102   7.997
  145   1HG2  ILE  17          1HG2      ILE  17   3.886  -8.524   7.453
  146   2HG2  ILE  17          2HG2      ILE  17   4.305  -6.823   7.243
  147   3HG2  ILE  17          3HG2      ILE  17   4.174  -7.879   5.836
  148   1HD1  ILE  17          1HD1      ILE  17   0.632  -9.349   8.312
  149   2HD1  ILE  17          2HD1      ILE  17   1.880  -9.012   9.512
  150   3HD1  ILE  17          3HD1      ILE  17   2.336  -9.471   7.872
  151    H    LYS  18           H        LYS  18   2.534  -7.161   4.032
  152    HA   LYS  18           HA       LYS  18   4.846  -5.450   3.217
  153   1HB   LYS  18          2HB       LYS  18   5.398  -7.378   1.767
  154   2HB   LYS  18          1HB       LYS  18   5.212  -7.876   3.447
  155   1HG   LYS  18          2HG       LYS  18   2.646  -8.146   2.502
  156   2HG   LYS  18          1HG       LYS  18   3.601  -8.590   1.088
  157   1HD   LYS  18          2HD       LYS  18   4.712  -9.750   3.512
  158   2HD   LYS  18          1HD       LYS  18   3.035 -10.235   3.282
  159   1HE   LYS  18          2HE       LYS  18   5.087 -10.386   1.055
  160   2HE   LYS  18          1HE       LYS  18   4.732 -11.745   2.140
  161   1HZ   LYS  18          1HZ       LYS  18   2.545 -10.266   0.828
  162   2HZ   LYS  18          2HZ       LYS  18   2.542 -11.847   1.450
  163   3HZ   LYS  18          3HZ       LYS  18   3.351 -11.505  -0.004
  164    H    GLY  19           H        GLY  19   3.112  -3.805   2.589
  165   1HA   GLY  19          2HA       GLY  19   2.615  -4.023  -0.284
  166   2HA   GLY  19          1HA       GLY  19   1.142  -4.004   0.688
  167    H    ARG  20           H        ARG  20   1.236  -1.909  -0.906
  168    HA   ARG  20           HA       ARG  20   2.149   0.344   0.852
  169   1HB   ARG  20          2HB       ARG  20   2.469  -0.142  -2.112
  170   2HB   ARG  20          1HB       ARG  20   2.548   1.490  -1.444
  171   1HG   ARG  20          2HG       ARG  20   4.162  -0.107   0.232
  172   2HG   ARG  20          1HG       ARG  20   4.570  -0.573  -1.419
  173   1HD   ARG  20          2HD       ARG  20   4.493   2.114  -1.735
  174   2HD   ARG  20          1HD       ARG  20   5.001   2.024  -0.037
  175    HE   ARG  20           HE       ARG  20   6.581   0.121  -1.237
  176   1HH1  ARG  20          1HH2      ARG  20   7.456   2.938  -0.302
  177   2HH1  ARG  20          2HH2      ARG  20   8.281   3.493  -1.720
  178   1HH2  ARG  20          1HH1      ARG  20   6.957   1.036  -3.777
  179   2HH2  ARG  20          2HH1      ARG  20   7.999   2.417  -3.686
  180    H    CYS  21           H        CYS  21   0.354   1.481   1.468
  181    HA   CYS  21           HA       CYS  21  -2.047   1.434  -0.316
  182   1HB   CYS  21          2HB       CYS  21  -2.416   0.552   1.893
  183   2HB   CYS  21          1HB       CYS  21  -1.592   1.921   2.637
  184    H    ARG  22           H        ARG  22  -2.700   3.327  -1.265
  185    HA   ARG  22           HA       ARG  22  -1.256   5.839  -0.530
  186   1HB   ARG  22          2HB       ARG  22  -2.864   5.015  -2.971
  187   2HB   ARG  22          1HB       ARG  22  -1.984   6.533  -2.800
  188   1HG   ARG  22          2HG       ARG  22   0.084   5.058  -2.322
  189   2HG   ARG  22          1HG       ARG  22  -0.872   3.736  -2.995
  190   1HD   ARG  22          2HD       ARG  22  -1.091   4.859  -5.117
  191   2HD   ARG  22          1HD       ARG  22  -0.400   6.356  -4.456
  192    HE   ARG  22           HE       ARG  22   1.342   4.031  -4.124
  193   1HH1  ARG  22          1HH1      ARG  22   1.041   4.052  -7.030
  194   2HH1  ARG  22          2HH1      ARG  22   2.202   5.228  -7.549
  195   1HH2  ARG  22          1HH2      ARG  22   2.547   6.663  -4.412
  196   2HH2  ARG  22          2HH2      ARG  22   3.054   6.706  -6.067
  197    H    PHE  23           H        PHE  23  -2.419   7.250   0.723
  198    HA   PHE  23           HA       PHE  23  -5.401   7.054   0.717
  199   1HB   PHE  23          2HB       PHE  23  -3.746   6.892   2.767
  200   2HB   PHE  23          1HB       PHE  23  -3.747   8.652   2.651
  201    HD1  PHE  23           HD1      PHE  23  -6.298   9.574   2.108
  202    HD2  PHE  23           HD2      PHE  23  -5.258   6.036   4.310
  203    HE1  PHE  23           HE1      PHE  23  -8.487   9.652   3.268
  204    HE2  PHE  23           HE2      PHE  23  -7.447   6.115   5.470
  205    HZ   PHE  23           HZ       PHE  23  -9.062   7.923   4.950
  206    H    VAL  24           H        VAL  24  -6.183   8.458  -0.854
  207    HA   VAL  24           HA       VAL  24  -4.862  11.012  -1.440
  208    HB   VAL  24           HB       VAL  24  -7.549   9.896  -2.296
  209   1HG1  VAL  24          1HG1      VAL  24  -6.808  11.297  -4.390
  210   2HG1  VAL  24          2HG1      VAL  24  -5.767  12.127  -3.233
  211   3HG1  VAL  24          3HG1      VAL  24  -7.515  12.124  -3.001
  212   1HG2  VAL  24          1HG2      VAL  24  -4.920   8.900  -2.782
  213   2HG2  VAL  24          2HG2      VAL  24  -5.499   9.624  -4.281
  214   3HG2  VAL  24          3HG2      VAL  24  -6.434   8.350  -3.498
  215    H    VAL  25           H        VAL  25  -5.189  12.776  -0.145
  216    HA   VAL  25           HA       VAL  25  -7.408  12.900   1.763
  217    HB   VAL  25           HB       VAL  25  -5.329  14.962   0.967
  218   1HG1  VAL  25          1HG1      VAL  25  -5.724  15.867   3.196
  219   2HG1  VAL  25          2HG1      VAL  25  -6.856  14.564   3.557
  220   3HG1  VAL  25          3HG1      VAL  25  -7.261  15.770   2.335
  221   1HG2  VAL  25          1HG2      VAL  25  -4.418  12.686   1.636
  222   2HG2  VAL  25          2HG2      VAL  25  -5.182  12.927   3.208
  223   3HG2  VAL  25          3HG2      VAL  25  -3.909  14.022   2.669
  224    H    ALA  26           H        ALA  26  -6.330  15.215  -0.767
  225    HA   ALA  26           HA       ALA  26  -8.476  16.926  -0.920
  226   1HB   ALA  26          1HB       ALA  26  -6.644  17.229  -2.392
  227   2HB   ALA  26          2HB       ALA  26  -7.977  16.820  -3.471
  228   3HB   ALA  26          3HB       ALA  26  -6.785  15.594  -3.039
  229    H    GLU  27           H        GLU  27  -8.300  13.767  -2.582
  230    HA   GLU  27           HA       GLU  27 -11.287  13.828  -2.856
  231   1HB   GLU  27          2HB       GLU  27  -9.015  13.033  -4.572
  232   2HB   GLU  27          1HB       GLU  27 -10.347  11.877  -4.555
  233   1HG   GLU  27          2HG       GLU  27 -11.925  13.747  -5.052
  234   2HG   GLU  27          1HG       GLU  27 -10.545  14.837  -5.184
  235    H    GLN  28           H        GLN  28 -11.675  12.899  -0.774
  236    HA   GLN  28           HA       GLN  28 -10.539  10.947   0.702
  237   1HB   GLN  28          2HB       GLN  28 -13.185  11.914   0.184
  238   2HB   GLN  28          1HB       GLN  28 -13.269  10.165   0.406
  239   1HG   GLN  28          2HG       GLN  28 -13.489  11.312   2.570
  240   2HG   GLN  28          1HG       GLN  28 -11.992  10.380   2.517
  241   1HE2  GLN  28          1HE2      GLN  28 -10.989  11.836   4.112
  242   2HE2  GLN  28          2HE2      GLN  28 -10.484  13.395   3.666
  243    H    THR  29           H        THR  29  -9.247   9.485  -0.581
  244    HA   THR  29           HA       THR  29 -10.813   7.184  -1.638
  245    HB   THR  29           HB       THR  29  -8.766   8.813  -3.171
  246    HG1  THR  29           1HG      THR  29 -10.475   9.623  -4.039
  247   1HG2  THR  29          1HG2      THR  29  -9.238   7.124  -4.997
  248   2HG2  THR  29          2HG2      THR  29 -10.017   6.126  -3.771
  249   3HG2  THR  29          3HG2      THR  29  -8.300   6.504  -3.639
  250    HA   PRO  30           HA       PRO  30  -7.090   5.944   0.754
  251   1HB   PRO  30          2HB       PRO  30  -8.378   4.106   2.313
  252   2HB   PRO  30          1HB       PRO  30  -8.301   5.831   2.723
  253   1HG   PRO  30          2HG       PRO  30 -10.532   4.261   1.560
  254   2HG   PRO  30          1HG       PRO  30 -10.574   5.630   2.680
  255   1HD   PRO  30          2HD       PRO  30 -11.092   5.784  -0.032
  256   2HD   PRO  30          1HD       PRO  30 -10.616   7.154   0.995
  257    H    SER  31           H        SER  31  -6.435   4.959  -1.329
  258    HA   SER  31           HA       SER  31  -7.559   2.306  -2.004
  259   1HB   SER  31          2HB       SER  31  -5.159   3.445  -3.352
  260   2HB   SER  31          1HB       SER  31  -6.597   2.712  -4.058
  261    HG   SER  31           HG       SER  31  -7.717   4.602  -3.668
  262    H    CYS  32           H        CYS  32  -6.400   0.360  -1.755
  263    HA   CYS  32           HA       CYS  32  -3.798   0.566  -0.270
  264   1HB   CYS  32          2HB       CYS  32  -4.557  -1.323   1.043
  265   2HB   CYS  32          1HB       CYS  32  -5.852  -0.126   1.031
  266    H    VAL  33           H        VAL  33  -2.127  -0.564  -1.187
  267    HA   VAL  33           HA       VAL  33  -2.786  -2.617  -3.274
  268    HB   VAL  33           HB       VAL  33  -0.537  -0.576  -3.181
  269   1HG1  VAL  33          1HG1      VAL  33   0.175  -2.610  -4.312
  270   2HG1  VAL  33          2HG1      VAL  33  -0.138  -1.369  -5.525
  271   3HG1  VAL  33          3HG1      VAL  33  -1.317  -2.651  -5.252
  272   1HG2  VAL  33          1HG2      VAL  33  -3.275  -0.519  -4.209
  273   2HG2  VAL  33          2HG2      VAL  33  -2.085  -0.190  -5.467
  274   3HG2  VAL  33          3HG2      VAL  33  -2.127   0.806  -4.012
  275    H    CYS  34           H        CYS  34  -0.831  -4.136  -3.603
  276    HA   CYS  34           HA       CYS  34   0.767  -4.477  -1.097
  277   1HB   CYS  34          2HB       CYS  34  -0.712  -6.719  -2.497
  278   2HB   CYS  34          1HB       CYS  34   0.047  -6.757  -0.906
  279    H    ASP  35           H        ASP  35   2.625  -5.981  -1.444
  280    HA   ASP  35           HA       ASP  35   4.208  -5.435  -3.684
  281   1HB   ASP  35          2HB       ASP  35   4.032  -7.547  -1.592
  282   2HB   ASP  35          1HB       ASP  35   5.070  -7.899  -2.973
  283    H    GLU  36           H        GLU  36   3.938  -5.957  -5.818
  284    HA   GLU  36           HA       GLU  36   1.865  -7.426  -6.957
  285   1HB   GLU  36          2HB       GLU  36   3.471  -5.974  -8.146
  286   2HB   GLU  36          1HB       GLU  36   4.744  -7.167  -7.885
  287   1HG   GLU  36          2HG       GLU  36   4.053  -7.785 -10.006
  288   2HG   GLU  36          1HG       GLU  36   2.981  -8.792  -9.032
  289    H    GLY  37           H        GLY  37   5.098  -8.668  -6.042
  290   1HA   GLY  37          2HA       GLY  37   4.242 -11.422  -6.678
  291   2HA   GLY  37          1HA       GLY  37   5.856 -10.934  -6.158
  292    H    TYR  38           H        TYR  38   2.723 -10.249  -4.603
  293    HA   TYR  38           HA       TYR  38   3.774 -11.668  -2.181
  294   1HB   TYR  38          2HB       TYR  38   3.030  -9.881  -0.934
  295   2HB   TYR  38          1HB       TYR  38   3.235  -9.036  -2.464
  296    HD1  TYR  38           HD1      TYR  38   1.088  -9.259   0.171
  297    HD2  TYR  38           HD2      TYR  38   1.026  -9.640  -4.108
  298    HE1  TYR  38           HE1      TYR  38  -1.335  -8.728   0.155
  299    HE2  TYR  38           HE2      TYR  38  -1.395  -9.105  -4.122
  300    HH   TYR  38           HH       TYR  38  -3.250  -8.924  -1.177
  301    H    ILE  39           H        ILE  39   1.837 -12.354  -0.711
  302    HA   ILE  39           HA       ILE  39  -0.569 -13.200  -2.225
  303    HB   ILE  39           HB       ILE  39   1.471 -15.043  -0.939
  304   1HG1  ILE  39          2HG1      ILE  39   1.037 -16.029  -3.401
  305   2HG1  ILE  39          1HG1      ILE  39   0.654 -14.338  -3.719
  306   1HG2  ILE  39          1HG2      ILE  39  -0.055 -16.872  -1.433
  307   2HG2  ILE  39          2HG2      ILE  39  -1.210 -15.758  -2.164
  308   3HG2  ILE  39          3HG2      ILE  39  -0.898 -15.693  -0.429
  309   1HD1  ILE  39          1HD1      ILE  39   2.940 -14.085  -2.244
  310   2HD1  ILE  39          2HD1      ILE  39   2.901 -14.123  -4.008
  311   3HD1  ILE  39          3HD1      ILE  39   3.255 -15.595  -3.102
  312    H    GLY  40           H        GLY  40  -2.340 -13.632  -0.822
  313   1HA   GLY  40          2HA       GLY  40  -3.101 -14.232   1.486
  314   2HA   GLY  40          1HA       GLY  40  -1.805 -13.199   2.090
  315    H    ALA  41           H        ALA  41  -4.679 -12.942   2.623
  316    HA   ALA  41           HA       ALA  41  -5.703 -10.702   1.063
  317   1HB   ALA  41          1HB       ALA  41  -6.802 -12.618   2.581
  318   2HB   ALA  41          2HB       ALA  41  -7.598 -11.062   2.342
  319   3HB   ALA  41          3HB       ALA  41  -6.672 -11.363   3.812
  320    H    ARG  42           H        ARG  42  -3.877 -11.087   4.061
  321    HA   ARG  42           HA       ARG  42  -4.052  -8.158   4.593
  322   1HB   ARG  42          2HB       ARG  42  -3.913 -10.575   6.127
  323   2HB   ARG  42          1HB       ARG  42  -2.492  -9.600   6.506
  324   1HG   ARG  42          2HG       ARG  42  -3.882  -7.682   7.040
  325   2HG   ARG  42          1HG       ARG  42  -5.331  -8.538   6.513
  326   1HD   ARG  42          2HD       ARG  42  -3.806 -10.047   8.516
  327   2HD   ARG  42          1HD       ARG  42  -4.393  -8.484   9.119
  328    HE   ARG  42           HE       ARG  42  -6.286 -10.219   7.612
  329   1HH1  ARG  42          1HH2      ARG  42  -5.123 -10.084  10.723
  330   2HH1  ARG  42          2HH2      ARG  42  -6.641  -9.739  11.482
  331   1HH2  ARG  42          1HH1      ARG  42  -8.308  -9.178   8.494
  332   2HH2  ARG  42          2HH1      ARG  42  -8.445  -9.226  10.220
  333    H    CYS  43           H        CYS  43  -2.201 -10.090   2.713
  334    HA   CYS  43           HA       CYS  43  -0.084  -9.723   1.709
  335   1HB   CYS  43          2HB       CYS  43   0.204  -7.341   3.543
  336   2HB   CYS  43          1HB       CYS  43   0.804  -7.537   1.900
  337    H    GLU  44           H        GLU  44   0.174 -11.710   3.356
  338    HA   GLU  44           HA       GLU  44   2.394 -10.988   5.248
  339   1HB   GLU  44          2HB       GLU  44   0.101 -11.632   6.193
  340   2HB   GLU  44          1HB       GLU  44   0.413 -13.252   5.568
  341   1HG   GLU  44          2HG       GLU  44   2.638 -12.074   7.117
  342   2HG   GLU  44          1HG       GLU  44   1.177 -12.404   8.050
  343    H    ARG  45           H        ARG  45   1.135 -13.339   2.909
  344    HA   ARG  45           HA       ARG  45   3.573 -15.016   3.210
  345   1HB   ARG  45          2HB       ARG  45   0.817 -15.258   2.175
  346   2HB   ARG  45          1HB       ARG  45   2.030 -16.117   1.226
  347   1HG   ARG  45          2HG       ARG  45   2.557 -17.561   2.944
  348   2HG   ARG  45          1HG       ARG  45   2.168 -16.380   4.196
  349   1HD   ARG  45          2HD       ARG  45  -0.064 -16.952   4.227
  350   2HD   ARG  45          1HD       ARG  45  -0.096 -17.322   2.491
  351    HE   ARG  45           HE       ARG  45   1.636 -19.195   3.743
  352   1HH1  ARG  45          1HH2      ARG  45  -1.272 -18.392   5.093
  353   2HH1  ARG  45          2HH2      ARG  45  -2.049 -19.916   4.821
  354   1HH2  ARG  45          1HH1      ARG  45   0.466 -21.128   2.763
  355   2HH2  ARG  45          2HH1      ARG  45  -1.065 -21.466   3.500
  356    H    VAL  46           H        VAL  46   5.301 -14.103   2.100
  357    HA   VAL  46           HA       VAL  46   4.859 -12.723  -0.477
  358    HB   VAL  46           HB       VAL  46   6.398 -11.907   1.324
  359   1HG1  VAL  46          1HG1      VAL  46   8.162 -13.148   2.108
  360   2HG1  VAL  46          2HG1      VAL  46   8.418 -13.953   0.561
  361   3HG1  VAL  46          3HG1      VAL  46   7.121 -14.488   1.628
  362   1HG2  VAL  46          1HG2      VAL  46   6.847 -11.109  -0.890
  363   2HG2  VAL  46          2HG2      VAL  46   7.555 -12.652  -1.373
  364   3HG2  VAL  46          3HG2      VAL  46   8.403 -11.611  -0.228
  365    H    ASP  47           H        ASP  47   5.926 -13.416  -2.444
  366    HA   ASP  47           HA       ASP  47   6.142 -16.360  -2.676
  367   1HB   ASP  47          2HB       ASP  47   4.891 -14.655  -4.203
  368   2HB   ASP  47          1HB       ASP  47   6.491 -14.314  -4.865
  369    H    LEU  48           H        LEU  48   8.267 -14.392  -1.463
  370    HA   LEU  48           HA       LEU  48  10.583 -15.768  -2.666
  371   1HB   LEU  48          2HB       LEU  48   9.674 -13.219  -3.556
  372   2HB   LEU  48          1HB       LEU  48  11.165 -12.953  -2.652
  373    HG   LEU  48           HG       LEU  48  11.018 -15.185  -4.660
  374   1HD1  LEU  48          1HD1      LEU  48  10.449 -12.569  -5.378
  375   2HD1  LEU  48          2HD1      LEU  48  11.082 -13.812  -6.458
  376   3HD1  LEU  48          3HD1      LEU  48  12.185 -12.691  -5.662
  377   1HD2  LEU  48          1HD2      LEU  48  13.382 -13.418  -4.221
  378   2HD2  LEU  48          2HD2      LEU  48  13.317 -15.160  -4.490
  379   3HD2  LEU  48          3HD2      LEU  48  12.931 -14.497  -2.901
  380    H    PHE  49           H        PHE  49  10.063 -16.312  -0.180
  381    HA   PHE  49           HA       PHE  49  11.113 -14.298   1.705
  382   1HB   PHE  49          2HB       PHE  49   9.406 -16.589   1.720
  383   2HB   PHE  49          1HB       PHE  49  10.735 -16.904   2.837
  384    HD1  PHE  49           HD1      PHE  49  11.399 -14.214   3.814
  385    HD2  PHE  49           HD2      PHE  49   7.567 -16.007   3.071
  386    HE1  PHE  49           HE1      PHE  49  10.363 -12.692   5.477
  387    HE2  PHE  49           HE2      PHE  49   6.531 -14.485   4.733
  388    HZ   PHE  49           HZ       PHE  49   7.930 -12.827   5.935
  389    H    TYR  50           H        TYR  50  11.970 -17.667   0.809
  390    HA   TYR  50           HA       TYR  50  14.590 -17.455   2.101
  391   1HB   TYR  50          2HB       TYR  50  12.928 -19.476   1.687
  392   2HB   TYR  50          1HB       TYR  50  13.796 -19.599   0.157
  393    HD1  TYR  50           HD1      TYR  50  14.380 -19.319   3.846
  394    HD2  TYR  50           HD2      TYR  50  15.856 -20.718   0.062
  395    HE1  TYR  50           HE1      TYR  50  16.257 -20.457   4.999
  396    HE2  TYR  50           HE2      TYR  50  17.733 -21.856   1.215
  397    HH   TYR  50           HH       TYR  50  17.916 -22.781   3.956
  Start of MODEL   22
    1   1H    ARG   1          H1        ARG   1   2.382  19.088 -10.085
    2   2H    ARG   1          H2        ARG   1   1.365  17.841 -10.630
    3   3H    ARG   1          H3        ARG   1   2.330  17.611  -9.251
    4    HA   ARG   1           HA       ARG   1   0.980  18.874  -7.902
    5   1HB   ARG   1          2HB       ARG   1   0.790  20.328 -10.459
    6   2HB   ARG   1          1HB       ARG   1  -0.679  20.403  -9.486
    7   1HG   ARG   1          2HG       ARG   1   1.187  20.832  -7.562
    8   2HG   ARG   1          1HG       ARG   1   2.001  21.553  -8.951
    9   1HD   ARG   1          2HD       ARG   1  -0.890  22.200  -8.343
   10   2HD   ARG   1          1HD       ARG   1   0.439  23.104  -7.590
   11    HE   ARG   1           HE       ARG   1   1.042  22.939 -10.341
   12   1HH1  ARG   1          1HH1      ARG   1   0.534  25.426  -8.549
   13   2HH1  ARG   1          2HH1      ARG   1  -0.696  26.220  -9.475
   14   1HH2  ARG   1          1HH2      ARG   1  -1.384  23.444 -11.435
   15   2HH2  ARG   1          2HH2      ARG   1  -1.781  25.098 -11.109
   16    H    LYS   2           H        LYS   2  -0.705  18.298 -11.022
   17    HA   LYS   2           HA       LYS   2  -3.167  17.415  -9.963
   18   1HB   LYS   2          2HB       LYS   2  -1.698  16.503 -12.460
   19   2HB   LYS   2          1HB       LYS   2  -3.440  16.406 -12.196
   20   1HG   LYS   2          2HG       LYS   2  -3.735  18.573 -12.755
   21   2HG   LYS   2          1HG       LYS   2  -2.421  19.091 -11.698
   22   1HD   LYS   2          2HD       LYS   2  -0.795  18.317 -13.456
   23   2HD   LYS   2          1HD       LYS   2  -2.169  18.024 -14.523
   24   1HE   LYS   2          2HE       LYS   2  -1.735  20.717 -13.208
   25   2HE   LYS   2          1HE       LYS   2  -1.020  20.310 -14.781
   26   1HZ   LYS   2          1HZ       LYS   2  -3.080  19.994 -15.742
   27   2HZ   LYS   2          2HZ       LYS   2  -3.386  21.314 -14.717
   28   3HZ   LYS   2          3HZ       LYS   2  -3.865  19.750 -14.258
   29    H    GLY   3           H        GLY   3  -3.843  15.469  -9.079
   30   1HA   GLY   3          2HA       GLY   3  -3.737  13.261  -8.286
   31   2HA   GLY   3          1HA       GLY   3  -2.516  12.954  -9.523
   32    H    HIS   4           H        HIS   4  -0.833  12.025  -8.424
   33    HA   HIS   4           HA       HIS   4   0.958  11.835  -6.891
   34   1HB   HIS   4          2HB       HIS   4   1.035  14.265  -7.911
   35   2HB   HIS   4          1HB       HIS   4   0.538  14.752  -6.291
   36    HD1  HIS   4           HD1      HIS   4   3.505  14.236  -8.178
   37    HD2  HIS   4           HD2      HIS   4   2.391  13.325  -4.265
   38    HE1  HIS   4           HE1      HIS   4   5.654  13.874  -6.888
   39    H    PHE   5           H        PHE   5  -0.430  10.575  -5.412
   40    HA   PHE   5           HA       PHE   5  -1.776  12.043  -3.222
   41   1HB   PHE   5          2HB       PHE   5  -1.413   9.061  -3.606
   42   2HB   PHE   5          1HB       PHE   5  -2.690   9.885  -2.712
   43    HD1  PHE   5           HD1      PHE   5  -4.056  11.675  -4.156
   44    HD2  PHE   5           HD2      PHE   5  -1.891   8.333  -5.766
   45    HE1  PHE   5           HE1      PHE   5  -5.436  11.773  -6.213
   46    HE2  PHE   5           HE2      PHE   5  -3.271   8.432  -7.825
   47    HZ   PHE   5           HZ       PHE   5  -5.043  10.152  -8.048
   48    H    SER   6           H        SER   6  -1.280  10.073  -1.191
   49    HA   SER   6           HA       SER   6   1.654  10.427  -0.681
   50   1HB   SER   6          2HB       SER   6  -0.762  11.281   0.819
   51   2HB   SER   6          1HB       SER   6   0.544  10.607   1.791
   52    HG   SER   6           HG       SER   6   1.147  12.476  -0.209
   53    H    ARG   7           H        ARG   7   2.647   8.572   0.058
   54    HA   ARG   7           HA       ARG   7   0.996   6.135   0.378
   55   1HB   ARG   7          2HB       ARG   7   3.716   6.898  -0.370
   56   2HB   ARG   7          1HB       ARG   7   3.701   5.543   0.761
   57   1HG   ARG   7          2HG       ARG   7   2.882   4.127  -0.797
   58   2HG   ARG   7          1HG       ARG   7   1.651   5.283  -1.306
   59   1HD   ARG   7          2HD       ARG   7   3.144   4.895  -3.193
   60   2HD   ARG   7          1HD       ARG   7   3.477   6.522  -2.569
   61    HE   ARG   7           HE       ARG   7   5.619   5.736  -1.985
   62   1HH1  ARG   7          1HH1      ARG   7   4.546   3.877   0.118
   63   2HH1  ARG   7          2HH1      ARG   7   5.155   2.345  -0.413
   64   1HH2  ARG   7          1HH2      ARG   7   5.888   3.449  -3.618
   65   2HH2  ARG   7          2HH2      ARG   7   5.913   2.102  -2.529
   66    H    CYS   8           H        CYS   8   0.586   5.213   2.365
   67    HA   CYS   8           HA       CYS   8   1.292   6.623   4.806
   68   1HB   CYS   8          2HB       CYS   8  -0.559   4.697   3.883
   69   2HB   CYS   8          1HB       CYS   8   0.354   3.906   5.169
   70    HA   PRO   9           HA       PRO   9   5.070   4.571   5.723
   71   1HB   PRO   9          2HB       PRO   9   5.028   4.698   8.456
   72   2HB   PRO   9          1HB       PRO   9   5.344   6.110   7.429
   73   1HG   PRO   9          2HG       PRO   9   2.842   5.305   8.821
   74   2HG   PRO   9          1HG       PRO   9   3.532   6.917   8.582
   75   1HD   PRO   9          2HD       PRO   9   1.462   5.924   7.102
   76   2HD   PRO   9          1HD       PRO   9   2.602   7.149   6.505
   77    H    LYS  10           H        LYS  10   5.887   2.552   6.671
   78    HA   LYS  10           HA       LYS  10   4.001   0.372   6.596
   79   1HB   LYS  10          2HB       LYS  10   6.669   0.686   6.275
   80   2HB   LYS  10          1HB       LYS  10   6.646   0.069   7.926
   81   1HG   LYS  10          2HG       LYS  10   4.902  -1.651   6.810
   82   2HG   LYS  10          1HG       LYS  10   5.882  -1.283   5.389
   83   1HD   LYS  10          2HD       LYS  10   7.773  -1.633   7.390
   84   2HD   LYS  10          1HD       LYS  10   6.564  -2.864   7.755
   85   1HE   LYS  10          2HE       LYS  10   7.715  -2.464   4.974
   86   2HE   LYS  10          1HE       LYS  10   8.363  -3.635   6.140
   87   1HZ   LYS  10          1HZ       LYS  10   5.559  -3.488   5.164
   88   2HZ   LYS  10          2HZ       LYS  10   6.108  -4.541   6.380
   89   3HZ   LYS  10          3HZ       LYS  10   6.688  -4.697   4.789
   90    H    GLN  11           H        GLN  11   5.291   2.366   9.183
   91    HA   GLN  11           HA       GLN  11   4.659   0.610  11.384
   92   1HB   GLN  11          2HB       GLN  11   6.113   2.822  11.089
   93   2HB   GLN  11          1HB       GLN  11   4.616   3.597  11.605
   94   1HG   GLN  11          2HG       GLN  11   5.073   3.053  13.737
   95   2HG   GLN  11          1HG       GLN  11   5.045   1.344  13.299
   96   1HE2  GLN  11          1HE2      GLN  11   6.916   0.535  14.320
   97   2HE2  GLN  11          2HE2      GLN  11   8.473   1.166  14.088
   98    H    TYR  12           H        TYR  12   2.633   2.232   9.218
   99    HA   TYR  12           HA       TYR  12   0.403   2.291  11.228
  100   1HB   TYR  12          2HB       TYR  12   1.429   4.185   9.262
  101   2HB   TYR  12          1HB       TYR  12  -0.291   3.877   9.031
  102    HD1  TYR  12           HD1      TYR  12   2.266   5.217  11.305
  103    HD2  TYR  12           HD2      TYR  12  -1.917   4.389  10.795
  104    HE1  TYR  12           HE1      TYR  12   1.744   6.654  13.257
  105    HE2  TYR  12           HE2      TYR  12  -2.441   5.826  12.747
  106    HH   TYR  12           HH       TYR  12  -0.571   8.049  13.945
  107    H    LYS  13           H        LYS  13   1.599   0.454   8.792
  108    HA   LYS  13           HA       LYS  13  -0.833   0.038   7.204
  109   1HB   LYS  13          2HB       LYS  13   1.899  -0.384   6.940
  110   2HB   LYS  13          1HB       LYS  13   1.264  -2.016   7.152
  111   1HG   LYS  13          2HG       LYS  13   0.774  -1.938   4.943
  112   2HG   LYS  13          1HG       LYS  13  -0.555  -0.875   5.406
  113   1HD   LYS  13          2HD       LYS  13   2.226  -0.047   4.535
  114   2HD   LYS  13          1HD       LYS  13   0.711   0.249   3.681
  115   1HE   LYS  13          2HE       LYS  13   1.215   1.301   6.481
  116   2HE   LYS  13          1HE       LYS  13   1.600   2.236   5.022
  117   1HZ   LYS  13          1HZ       LYS  13  -1.013   0.923   5.177
  118   2HZ   LYS  13          2HZ       LYS  13  -0.576   2.374   4.410
  119   3HZ   LYS  13          3HZ       LYS  13  -0.785   2.332   6.095
  120    H    HIS  14           H        HIS  14  -2.163  -0.433   9.266
  121    HA   HIS  14           HA       HIS  14  -1.641  -3.022  10.574
  122   1HB   HIS  14          2HB       HIS  14  -3.586  -0.742  10.784
  123   2HB   HIS  14          1HB       HIS  14  -4.004  -2.283  11.536
  124    HD1  HIS  14           HD1      HIS  14  -1.693   0.627  11.841
  125    HD2  HIS  14           HD2      HIS  14  -2.244  -3.076  13.675
  126    HE1  HIS  14           HE1      HIS  14  -0.300   0.662  13.956
  127    H    TYR  15           H        TYR  15  -3.594  -1.726   7.984
  128    HA   TYR  15           HA       TYR  15  -5.247  -4.178   7.825
  129   1HB   TYR  15          2HB       TYR  15  -6.202  -2.880   5.846
  130   2HB   TYR  15          1HB       TYR  15  -6.364  -2.085   7.411
  131    HD1  TYR  15           HD1      TYR  15  -5.774   0.157   7.533
  132    HD2  TYR  15           HD2      TYR  15  -3.852  -2.352   4.623
  133    HE1  TYR  15           HE1      TYR  15  -4.522   2.116   6.671
  134    HE2  TYR  15           HE2      TYR  15  -2.599  -0.391   3.762
  135    HH   TYR  15           HH       TYR  15  -3.419   2.777   4.501
  136    H    CYS  16           H        CYS  16  -2.145  -3.398   7.014
  137    HA   CYS  16           HA       CYS  16  -2.000  -5.523   4.984
  138   1HB   CYS  16          2HB       CYS  16  -1.879  -2.597   4.389
  139   2HB   CYS  16          1HB       CYS  16  -0.762  -3.648   3.517
  140    H    ILE  17           H        ILE  17  -0.181  -6.614   5.625
  141    HA   ILE  17           HA       ILE  17   1.856  -5.376   7.300
  142    HB   ILE  17           HB       ILE  17   1.771  -8.029   5.825
  143   1HG1  ILE  17          2HG1      ILE  17  -0.177  -7.788   7.270
  144   2HG1  ILE  17          1HG1      ILE  17   0.964  -8.893   8.037
  145   1HG2  ILE  17          1HG2      ILE  17   3.145  -8.189   8.295
  146   2HG2  ILE  17          2HG2      ILE  17   3.767  -6.759   7.473
  147   3HG2  ILE  17          3HG2      ILE  17   3.832  -8.332   6.677
  148   1HD1  ILE  17          1HD1      ILE  17   1.835  -6.511   9.028
  149   2HD1  ILE  17          2HD1      ILE  17   0.665  -7.543   9.850
  150   3HD1  ILE  17          3HD1      ILE  17   0.109  -6.186   8.871
  151    H    LYS  18           H        LYS  18   2.346  -7.158   4.239
  152    HA   LYS  18           HA       LYS  18   4.568  -5.279   3.585
  153   1HB   LYS  18          2HB       LYS  18   5.271  -7.084   2.088
  154   2HB   LYS  18          1HB       LYS  18   4.919  -7.752   3.681
  155   1HG   LYS  18          2HG       LYS  18   2.484  -8.027   2.623
  156   2HG   LYS  18          1HG       LYS  18   3.405  -8.049   1.122
  157   1HD   LYS  18          2HD       LYS  18   3.066 -10.328   2.088
  158   2HD   LYS  18          1HD       LYS  18   4.769  -9.895   1.928
  159   1HE   LYS  18          2HE       LYS  18   3.731  -9.018   4.500
  160   2HE   LYS  18          1HE       LYS  18   3.500 -10.763   4.278
  161   1HZ   LYS  18          1HZ       LYS  18   5.867 -10.681   3.318
  162   2HZ   LYS  18          2HZ       LYS  18   5.682 -10.627   5.006
  163   3HZ   LYS  18          3HZ       LYS  18   6.000  -9.202   4.138
  164    H    GLY  19           H        GLY  19   2.626  -3.720   3.067
  165   1HA   GLY  19          2HA       GLY  19   2.312  -3.697   0.158
  166   2HA   GLY  19          1HA       GLY  19   0.798  -3.932   1.033
  167    H    ARG  20           H        ARG  20   1.976  -1.594  -0.577
  168    HA   ARG  20           HA       ARG  20   2.027   0.532   1.505
  169   1HB   ARG  20          2HB       ARG  20   2.918   1.882  -0.269
  170   2HB   ARG  20          1HB       ARG  20   3.671   0.297  -0.446
  171   1HG   ARG  20          2HG       ARG  20   1.444  -0.072  -1.950
  172   2HG   ARG  20          1HG       ARG  20   1.695   1.656  -2.192
  173   1HD   ARG  20          2HD       ARG  20   2.974   0.607  -3.918
  174   2HD   ARG  20          1HD       ARG  20   4.169   1.029  -2.676
  175    HE   ARG  20           HE       ARG  20   3.049  -1.560  -2.118
  176   1HH1  ARG  20          1HH1      ARG  20   3.940  -1.200  -5.144
  177   2HH1  ARG  20          2HH1      ARG  20   5.476  -1.994  -5.068
  178   1HH2  ARG  20          1HH2      ARG  20   5.582  -2.026  -1.601
  179   2HH2  ARG  20          2HH2      ARG  20   6.408  -2.460  -3.060
  180    H    CYS  21           H        CYS  21   0.387   2.110   1.631
  181    HA   CYS  21           HA       CYS  21  -1.983   1.682  -0.164
  182   1HB   CYS  21          2HB       CYS  21  -2.485   0.875   2.035
  183   2HB   CYS  21          1HB       CYS  21  -1.732   2.278   2.792
  184    H    ARG  22           H        ARG  22  -2.461   3.469  -1.357
  185    HA   ARG  22           HA       ARG  22  -1.240   6.081  -0.643
  186   1HB   ARG  22          2HB       ARG  22  -2.836   5.175  -3.062
  187   2HB   ARG  22          1HB       ARG  22  -1.869   6.644  -2.943
  188   1HG   ARG  22          2HG       ARG  22  -0.120   5.455  -3.720
  189   2HG   ARG  22          1HG       ARG  22  -0.131   4.572  -2.193
  190   1HD   ARG  22          2HD       ARG  22  -0.324   2.865  -3.839
  191   2HD   ARG  22          1HD       ARG  22  -1.999   3.123  -3.313
  192    HE   ARG  22           HE       ARG  22  -1.852   4.930  -5.308
  193   1HH1  ARG  22          1HH1      ARG  22   0.461   2.618  -5.665
  194   2HH1  ARG  22          2HH1      ARG  22  -0.180   1.901  -7.104
  195   1HH2  ARG  22          1HH2      ARG  22  -3.191   3.612  -6.934
  196   2HH2  ARG  22          2HH2      ARG  22  -2.248   2.463  -7.823
  197    H    PHE  23           H        PHE  23  -2.474   7.433   0.611
  198    HA   PHE  23           HA       PHE  23  -5.443   7.140   0.554
  199   1HB   PHE  23          2HB       PHE  23  -3.805   7.157   2.626
  200   2HB   PHE  23          1HB       PHE  23  -3.884   8.907   2.420
  201    HD1  PHE  23           HD1      PHE  23  -6.486   9.654   1.775
  202    HD2  PHE  23           HD2      PHE  23  -5.278   6.343   4.231
  203    HE1  PHE  23           HE1      PHE  23  -8.691   9.690   2.910
  204    HE2  PHE  23           HE2      PHE  23  -7.482   6.380   5.366
  205    HZ   PHE  23           HZ       PHE  23  -9.189   8.054   4.705
  206    H    VAL  24           H        VAL  24  -6.399   8.483  -0.938
  207    HA   VAL  24           HA       VAL  24  -5.129  11.019  -1.737
  208    HB   VAL  24           HB       VAL  24  -7.838   9.884  -2.485
  209   1HG1  VAL  24          1HG1      VAL  24  -6.123  12.090  -3.387
  210   2HG1  VAL  24          2HG1      VAL  24  -7.843  11.818  -3.666
  211   3HG1  VAL  24          3HG1      VAL  24  -6.648  11.036  -4.699
  212   1HG2  VAL  24          1HG2      VAL  24  -6.326   9.029  -4.494
  213   2HG2  VAL  24          2HG2      VAL  24  -6.499   8.065  -3.028
  214   3HG2  VAL  24          3HG2      VAL  24  -5.063   9.061  -3.264
  215    H    VAL  25           H        VAL  25  -5.478  12.846  -0.556
  216    HA   VAL  25           HA       VAL  25  -7.592  13.032   1.446
  217    HB   VAL  25           HB       VAL  25  -5.632  15.056   0.312
  218   1HG1  VAL  25          1HG1      VAL  25  -7.815  15.607   1.845
  219   2HG1  VAL  25          2HG1      VAL  25  -6.315  16.531   1.914
  220   3HG1  VAL  25          3HG1      VAL  25  -6.621  15.258   3.096
  221   1HG2  VAL  25          1HG2      VAL  25  -5.427  12.838   2.273
  222   2HG2  VAL  25          2HG2      VAL  25  -4.698  14.365   2.769
  223   3HG2  VAL  25          3HG2      VAL  25  -4.173  13.580   1.280
  224    H    ALA  26           H        ALA  26  -6.833  15.275  -1.255
  225    HA   ALA  26           HA       ALA  26  -9.179  16.722  -1.402
  226   1HB   ALA  26          1HB       ALA  26  -8.551  17.150  -3.653
  227   2HB   ALA  26          2HB       ALA  26  -7.899  15.524  -3.864
  228   3HB   ALA  26          3HB       ALA  26  -7.036  16.698  -2.870
  229    H    GLU  27           H        GLU  27  -8.625  13.516  -2.857
  230    HA   GLU  27           HA       GLU  27 -11.588  13.223  -3.203
  231   1HB   GLU  27          2HB       GLU  27  -9.577  13.048  -5.046
  232   2HB   GLU  27          1HB       GLU  27  -9.695  11.365  -4.531
  233   1HG   GLU  27          2HG       GLU  27 -12.211  11.567  -4.889
  234   2HG   GLU  27          1HG       GLU  27 -11.881  13.101  -5.694
  235    H    GLN  28           H        GLN  28 -11.817  12.516  -0.960
  236    HA   GLN  28           HA       GLN  28 -10.497  10.747   0.609
  237   1HB   GLN  28          2HB       GLN  28 -12.745   9.977   1.366
  238   2HB   GLN  28          1HB       GLN  28 -12.690  11.721   1.110
  239   1HG   GLN  28          2HG       GLN  28 -14.413  11.522  -0.322
  240   2HG   GLN  28          1HG       GLN  28 -13.373  10.574  -1.385
  241   1HE2  GLN  28          1HE2      GLN  28 -15.467   9.362  -1.885
  242   2HE2  GLN  28          2HE2      GLN  28 -15.943   8.119  -0.832
  243    H    THR  29           H        THR  29  -9.218   9.234  -0.620
  244    HA   THR  29           HA       THR  29 -10.760   6.826  -1.478
  245    HB   THR  29           HB       THR  29  -8.694   8.330  -3.115
  246    HG1  THR  29           1HG      THR  29 -11.371   7.712  -3.764
  247   1HG2  THR  29          1HG2      THR  29  -8.481   5.873  -3.336
  248   2HG2  THR  29          2HG2      THR  29  -9.080   6.610  -4.821
  249   3HG2  THR  29          3HG2      THR  29 -10.195   5.772  -3.741
  250    HA   PRO  30           HA       PRO  30  -7.033   5.743   0.971
  251   1HB   PRO  30          2HB       PRO  30  -8.285   3.875   2.527
  252   2HB   PRO  30          1HB       PRO  30  -8.280   5.606   2.917
  253   1HG   PRO  30          2HG       PRO  30 -10.425   3.944   1.721
  254   2HG   PRO  30          1HG       PRO  30 -10.543   5.317   2.830
  255   1HD   PRO  30          2HD       PRO  30 -11.011   5.439   0.112
  256   2HD   PRO  30          1HD       PRO  30 -10.593   6.831   1.134
  257    H    SER  31           H        SER  31  -6.352   4.776  -1.134
  258    HA   SER  31           HA       SER  31  -7.330   2.054  -1.750
  259   1HB   SER  31          2HB       SER  31  -5.272   3.890  -3.013
  260   2HB   SER  31          1HB       SER  31  -5.810   2.363  -3.706
  261    HG   SER  31           HG       SER  31  -6.943   4.761  -3.883
  262    H    CYS  32           H        CYS  32  -6.287   0.240  -1.023
  263    HA   CYS  32           HA       CYS  32  -3.584   0.574   0.218
  264   1HB   CYS  32          2HB       CYS  32  -4.233  -1.536   1.392
  265   2HB   CYS  32          1HB       CYS  32  -5.386  -0.230   1.668
  266    H    VAL  33           H        VAL  33  -2.238   0.271  -1.615
  267    HA   VAL  33           HA       VAL  33  -2.678  -2.056  -3.386
  268    HB   VAL  33           HB       VAL  33  -0.593   0.147  -3.253
  269   1HG1  VAL  33          1HG1      VAL  33  -0.955  -2.221  -5.045
  270   2HG1  VAL  33          2HG1      VAL  33   0.532  -1.459  -4.484
  271   3HG1  VAL  33          3HG1      VAL  33  -0.412  -0.708  -5.769
  272   1HG2  VAL  33          1HG2      VAL  33  -2.806   0.999  -3.789
  273   2HG2  VAL  33          2HG2      VAL  33  -3.057  -0.286  -4.971
  274   3HG2  VAL  33          3HG2      VAL  33  -1.851   0.965  -5.272
  275    H    CYS  34           H        CYS  34  -1.828  -4.017  -2.821
  276    HA   CYS  34           HA       CYS  34   0.236  -4.206  -0.724
  277   1HB   CYS  34          2HB       CYS  34  -0.998  -6.418  -2.381
  278   2HB   CYS  34          1HB       CYS  34  -0.348  -6.523  -0.746
  279    H    ASP  35           H        ASP  35   2.257  -5.404  -1.086
  280    HA   ASP  35           HA       ASP  35   3.830  -4.606  -3.252
  281   1HB   ASP  35          2HB       ASP  35   3.860  -6.636  -1.134
  282   2HB   ASP  35          1HB       ASP  35   4.799  -7.113  -2.549
  283    H    GLU  36           H        GLU  36   3.515  -4.994  -5.408
  284    HA   GLU  36           HA       GLU  36   1.715  -6.710  -6.639
  285   1HB   GLU  36          2HB       GLU  36   3.405  -4.906  -7.513
  286   2HB   GLU  36          1HB       GLU  36   4.476  -6.286  -7.765
  287   1HG   GLU  36          2HG       GLU  36   2.874  -7.352  -9.223
  288   2HG   GLU  36          1HG       GLU  36   1.647  -6.143  -8.841
  289    H    GLY  37           H        GLY  37   5.054  -7.495  -5.641
  290   1HA   GLY  37          2HA       GLY  37   4.700 -10.288  -6.539
  291   2HA   GLY  37          1HA       GLY  37   6.182  -9.595  -5.877
  292    H    TYR  38           H        TYR  38   2.894  -9.553  -4.502
  293    HA   TYR  38           HA       TYR  38   3.999 -11.050  -2.152
  294   1HB   TYR  38          2HB       TYR  38   3.054  -9.466  -0.773
  295   2HB   TYR  38          1HB       TYR  38   3.244  -8.457  -2.203
  296    HD1  TYR  38           HD1      TYR  38   1.035  -9.029   0.294
  297    HD2  TYR  38           HD2      TYR  38   1.145  -9.158  -3.997
  298    HE1  TYR  38           HE1      TYR  38  -1.421  -8.693   0.220
  299    HE2  TYR  38           HE2      TYR  38  -1.310  -8.820  -4.072
  300    HH   TYR  38           HH       TYR  38  -3.067  -7.769  -2.506
  301    H    ILE  39           H        ILE  39   2.022 -11.988  -0.826
  302    HA   ILE  39           HA       ILE  39  -0.195 -12.909  -2.571
  303    HB   ILE  39           HB       ILE  39   1.879 -14.685  -1.245
  304   1HG1  ILE  39          2HG1      ILE  39   1.086 -14.178  -4.129
  305   2HG1  ILE  39          1HG1      ILE  39   2.638 -13.811  -3.374
  306   1HG2  ILE  39          1HG2      ILE  39  -0.453 -15.563  -1.023
  307   2HG2  ILE  39          2HG2      ILE  39   0.563 -16.573  -2.051
  308   3HG2  ILE  39          3HG2      ILE  39  -0.616 -15.480  -2.777
  309   1HD1  ILE  39          1HD1      ILE  39   3.092 -16.175  -3.036
  310   2HD1  ILE  39          2HD1      ILE  39   2.676 -15.920  -4.730
  311   3HD1  ILE  39          3HD1      ILE  39   1.486 -16.604  -3.623
  312    H    GLY  40           H        GLY  40  -2.057 -13.204  -1.355
  313   1HA   GLY  40          2HA       GLY  40  -2.920 -14.168   0.851
  314   2HA   GLY  40          1HA       GLY  40  -1.746 -13.097   1.619
  315    H    ALA  41           H        ALA  41  -4.427 -12.860   2.281
  316    HA   ALA  41           HA       ALA  41  -5.648 -10.710   0.678
  317   1HB   ALA  41          1HB       ALA  41  -6.335 -12.242   3.196
  318   2HB   ALA  41          2HB       ALA  41  -7.108 -12.350   1.614
  319   3HB   ALA  41          3HB       ALA  41  -7.338 -10.914   2.611
  320    H    ARG  42           H        ARG  42  -4.062 -11.088   3.842
  321    HA   ARG  42           HA       ARG  42  -4.287  -8.154   4.323
  322   1HB   ARG  42          2HB       ARG  42  -3.787 -10.640   5.914
  323   2HB   ARG  42          1HB       ARG  42  -3.140  -9.122   6.537
  324   1HG   ARG  42          2HG       ARG  42  -5.186  -8.659   7.352
  325   2HG   ARG  42          1HG       ARG  42  -5.763  -8.535   5.689
  326   1HD   ARG  42          2HD       ARG  42  -5.542 -11.321   6.365
  327   2HD   ARG  42          1HD       ARG  42  -6.490 -10.497   7.618
  328    HE   ARG  42           HE       ARG  42  -7.099 -10.289   4.691
  329   1HH1  ARG  42          1HH2      ARG  42  -8.193  -8.322   6.819
  330   2HH1  ARG  42          2HH2      ARG  42  -9.778  -8.979   7.060
  331   1HH2  ARG  42          1HH1      ARG  42  -9.051 -11.996   5.514
  332   2HH2  ARG  42          2HH1      ARG  42 -10.263 -11.059   6.322
  333    H    CYS  43           H        CYS  43  -2.355  -9.760   2.431
  334    HA   CYS  43           HA       CYS  43  -0.138  -9.422   1.685
  335   1HB   CYS  43          2HB       CYS  43  -0.037  -7.243   3.783
  336   2HB   CYS  43          1HB       CYS  43   0.810  -7.302   2.237
  337    H    GLU  44           H        GLU  44  -0.572 -11.403   3.675
  338    HA   GLU  44           HA       GLU  44   1.571 -11.063   5.697
  339   1HB   GLU  44          2HB       GLU  44  -0.756 -11.996   6.127
  340   2HB   GLU  44          1HB       GLU  44  -0.281 -13.404   5.178
  341   1HG   GLU  44          2HG       GLU  44   1.836 -13.042   6.960
  342   2HG   GLU  44          1HG       GLU  44   0.395 -12.726   7.929
  343    H    ARG  45           H        ARG  45   0.857 -12.939   2.772
  344    HA   ARG  45           HA       ARG  45   3.375 -14.487   3.077
  345   1HB   ARG  45          2HB       ARG  45   0.795 -14.895   1.987
  346   2HB   ARG  45          1HB       ARG  45   1.911 -14.904   0.620
  347   1HG   ARG  45          2HG       ARG  45   2.212 -17.087   1.213
  348   2HG   ARG  45          1HG       ARG  45   3.315 -16.399   2.405
  349   1HD   ARG  45          2HD       ARG  45   1.991 -17.098   4.104
  350   2HD   ARG  45          1HD       ARG  45   0.574 -16.314   3.376
  351    HE   ARG  45           HE       ARG  45  -0.037 -18.438   2.561
  352   1HH1  ARG  45          1HH1      ARG  45   3.143 -18.564   3.761
  353   2HH1  ARG  45          2HH1      ARG  45   3.564 -20.024   2.929
  354   1HH2  ARG  45          1HH2      ARG  45   0.595 -20.180   1.147
  355   2HH2  ARG  45          2HH2      ARG  45   2.122 -20.938   1.450
  356    H    VAL  46           H        VAL  46   4.939 -14.505   1.279
  357    HA   VAL  46           HA       VAL  46   4.778 -12.221  -0.622
  358    HB   VAL  46           HB       VAL  46   5.846 -11.363   1.413
  359   1HG1  VAL  46          1HG1      VAL  46   6.594 -13.661   2.185
  360   2HG1  VAL  46          2HG1      VAL  46   7.804 -12.390   2.367
  361   3HG1  VAL  46          3HG1      VAL  46   7.923 -13.536   1.031
  362   1HG2  VAL  46          1HG2      VAL  46   6.839 -10.324  -0.421
  363   2HG2  VAL  46          2HG2      VAL  46   7.501 -11.835  -1.046
  364   3HG2  VAL  46          3HG2      VAL  46   8.250 -11.053   0.346
  365    H    ASP  47           H        ASP  47   6.096 -12.549  -2.485
  366    HA   ASP  47           HA       ASP  47   7.425 -15.238  -2.653
  367   1HB   ASP  47          2HB       ASP  47   5.152 -14.274  -3.962
  368   2HB   ASP  47          1HB       ASP  47   6.435 -14.109  -5.160
  369    H    LEU  48           H        LEU  48   8.934 -13.013  -1.892
  370    HA   LEU  48           HA       LEU  48  10.417 -12.309  -4.406
  371   1HB   LEU  48          2HB       LEU  48   9.136 -10.671  -2.586
  372   2HB   LEU  48          1HB       LEU  48  10.807 -10.635  -2.018
  373    HG   LEU  48           HG       LEU  48  11.168 -10.388  -4.715
  374   1HD1  LEU  48          1HD1      LEU  48   9.349  -8.338  -4.917
  375   2HD1  LEU  48          2HD1      LEU  48   8.415  -9.564  -4.060
  376   3HD1  LEU  48          3HD1      LEU  48   9.135  -9.938  -5.626
  377   1HD2  LEU  48          1HD2      LEU  48  12.353  -8.859  -3.462
  378   2HD2  LEU  48          2HD2      LEU  48  10.983  -8.505  -2.410
  379   3HD2  LEU  48          3HD2      LEU  48  11.064  -7.791  -4.020
  380    H    PHE  49           H        PHE  49  11.182 -12.116  -0.922
  381    HA   PHE  49           HA       PHE  49  13.911 -13.030  -1.357
  382   1HB   PHE  49          2HB       PHE  49  12.149 -12.109   0.851
  383   2HB   PHE  49          1HB       PHE  49  13.503 -13.135   1.328
  384    HD1  PHE  49           HD1      PHE  49  13.526 -10.914  -1.630
  385    HD2  PHE  49           HD2      PHE  49  14.813 -11.431   2.435
  386    HE1  PHE  49           HE1      PHE  49  15.073  -8.991  -1.876
  387    HE2  PHE  49           HE2      PHE  49  16.359  -9.508   2.191
  388    HZ   PHE  49           HZ       PHE  49  16.490  -8.288   0.036
  389    H    TYR  50           H        TYR  50  11.023 -14.458   0.212
  390    HA   TYR  50           HA       TYR  50  12.292 -16.979   0.828
  391   1HB   TYR  50          2HB       TYR  50  10.292 -16.035   1.953
  392   2HB   TYR  50          1HB       TYR  50   9.376 -16.215   0.455
  393    HD1  TYR  50           HD1      TYR  50  11.794 -18.407   2.316
  394    HD2  TYR  50           HD2      TYR  50   7.886 -17.998   0.581
  395    HE1  TYR  50           HE1      TYR  50  11.285 -20.761   2.909
  396    HE2  TYR  50           HE2      TYR  50   7.377 -20.353   1.173
  397    HH   TYR  50           HH       TYR  50   9.846 -22.469   2.575
  Start of MODEL   23
    1   1H    ARG   1          H1        ARG   1  -3.483  16.402 -16.190
    2   2H    ARG   1          H2        ARG   1  -1.962  15.643 -16.189
    3   3H    ARG   1          H3        ARG   1  -2.069  17.337 -16.104
    4    HA   ARG   1           HA       ARG   1  -2.558  17.354 -13.896
    5   1HB   ARG   1          2HB       ARG   1  -3.958  15.537 -12.931
    6   2HB   ARG   1          1HB       ARG   1  -4.694  16.227 -14.378
    7   1HG   ARG   1          2HG       ARG   1  -3.505  14.353 -15.675
    8   2HG   ARG   1          1HG       ARG   1  -3.227  13.600 -14.105
    9   1HD   ARG   1          2HD       ARG   1  -5.833  14.047 -13.799
   10   2HD   ARG   1          1HD       ARG   1  -5.807  14.011 -15.575
   11    HE   ARG   1           HE       ARG   1  -5.413  11.719 -13.864
   12   1HH1  ARG   1          1HH2      ARG   1  -4.751  13.197 -16.894
   13   2HH1  ARG   1          2HH2      ARG   1  -4.057  11.772 -17.594
   14   1HH2  ARG   1          1HH1      ARG   1  -4.332   9.891 -14.694
   15   2HH2  ARG   1          2HH1      ARG   1  -3.819   9.901 -16.348
   16    H    LYS   2           H        LYS   2  -2.228  15.264 -12.045
   17    HA   LYS   2           HA       LYS   2   0.085  13.616 -12.765
   18   1HB   LYS   2          2HB       LYS   2   1.008  15.924 -12.540
   19   2HB   LYS   2          1HB       LYS   2   0.394  15.983 -10.888
   20   1HG   LYS   2          2HG       LYS   2   2.493  15.210 -10.395
   21   2HG   LYS   2          1HG       LYS   2   1.757  13.652 -10.774
   22   1HD   LYS   2          2HD       LYS   2   2.810  13.496 -12.821
   23   2HD   LYS   2          1HD       LYS   2   2.873  15.244 -13.042
   24   1HE   LYS   2          2HE       LYS   2   4.740  15.471 -11.572
   25   2HE   LYS   2          1HE       LYS   2   4.526  13.830 -10.930
   26   1HZ   LYS   2          1HZ       LYS   2   5.405  12.887 -12.768
   27   2HZ   LYS   2          2HZ       LYS   2   6.189  14.386 -12.927
   28   3HZ   LYS   2          3HZ       LYS   2   4.778  14.061 -13.818
   29    H    GLY   3           H        GLY   3  -1.535  15.184  -9.974
   30   1HA   GLY   3          2HA       GLY   3  -2.910  13.692  -8.501
   31   2HA   GLY   3          1HA       GLY   3  -1.635  12.486  -8.681
   32    H    HIS   4           H        HIS   4   0.383  12.838  -7.590
   33    HA   HIS   4           HA       HIS   4   1.758  13.649  -5.841
   34   1HB   HIS   4          2HB       HIS   4   0.751  15.812  -7.207
   35   2HB   HIS   4          1HB       HIS   4   0.221  16.154  -5.560
   36    HD1  HIS   4           HD1      HIS   4   2.073  16.480  -3.746
   37    HD2  HIS   4           HD2      HIS   4   3.559  15.921  -7.600
   38    HE1  HIS   4           HE1      HIS   4   4.523  17.115  -3.667
   39    H    PHE   5           H        PHE   5   0.245  11.902  -4.736
   40    HA   PHE   5           HA       PHE   5  -1.528  13.165  -2.691
   41   1HB   PHE   5          2HB       PHE   5  -1.126  10.239  -3.370
   42   2HB   PHE   5          1HB       PHE   5  -2.492  10.965  -2.521
   43    HD1  PHE   5           HD1      PHE   5  -3.987  12.597  -3.769
   44    HD2  PHE   5           HD2      PHE   5  -1.073  10.134  -5.742
   45    HE1  PHE   5           HE1      PHE   5  -5.137  12.973  -5.934
   46    HE2  PHE   5           HE2      PHE   5  -2.222  10.509  -7.907
   47    HZ   PHE   5           HZ       PHE   5  -4.254  11.928  -8.003
   48    H    SER   6           H        SER   6  -1.139  10.621  -1.080
   49    HA   SER   6           HA       SER   6   1.629  11.053  -0.043
   50   1HB   SER   6          2HB       SER   6  -0.675  12.181   1.041
   51   2HB   SER   6          1HB       SER   6  -0.409  10.753   2.037
   52    HG   SER   6           HG       SER   6   0.996  12.014   2.980
   53    H    ARG   7           H        ARG   7   2.528   9.169   0.857
   54    HA   ARG   7           HA       ARG   7   0.989   6.664   0.421
   55   1HB   ARG   7          2HB       ARG   7   3.893   7.221   1.117
   56   2HB   ARG   7          1HB       ARG   7   3.234   5.650   0.659
   57   1HG   ARG   7          2HG       ARG   7   2.518   7.730  -1.258
   58   2HG   ARG   7          1HG       ARG   7   4.266   7.565  -1.087
   59   1HD   ARG   7          2HD       ARG   7   3.172   4.927  -1.147
   60   2HD   ARG   7          1HD       ARG   7   2.477   5.835  -2.505
   61    HE   ARG   7           HE       ARG   7   4.712   6.254  -3.328
   62   1HH1  ARG   7          1HH2      ARG   7   4.551   3.353  -1.920
   63   2HH1  ARG   7          2HH2      ARG   7   6.186   3.268  -1.356
   64   1HH2  ARG   7          1HH1      ARG   7   6.846   6.620  -1.951
   65   2HH2  ARG   7          2HH1      ARG   7   7.486   5.118  -1.374
   66    H    CYS   8           H        CYS   8   0.468   5.263   2.122
   67    HA   CYS   8           HA       CYS   8   0.222   6.343   4.781
   68   1HB   CYS   8          2HB       CYS   8  -0.685   4.155   3.237
   69   2HB   CYS   8          1HB       CYS   8   0.116   3.453   4.643
   70    HA   PRO   9           HA       PRO   9   4.286   5.371   6.236
   71   1HB   PRO   9          2HB       PRO   9   3.797   5.725   8.905
   72   2HB   PRO   9          1HB       PRO   9   3.981   7.077   7.770
   73   1HG   PRO   9          2HG       PRO   9   1.504   5.881   8.902
   74   2HG   PRO   9          1HG       PRO   9   1.889   7.576   8.567
   75   1HD   PRO   9          2HD       PRO   9   0.312   6.034   6.956
   76   2HD   PRO   9          1HD       PRO   9   1.261   7.420   6.375
   77    H    LYS  10           H        LYS  10   5.303   3.734   7.717
   78    HA   LYS  10           HA       LYS  10   4.126   1.143   7.482
   79   1HB   LYS  10          2HB       LYS  10   6.374   2.371   9.080
   80   2HB   LYS  10          1HB       LYS  10   5.997   0.652   9.214
   81   1HG   LYS  10          2HG       LYS  10   6.930   0.193   7.208
   82   2HG   LYS  10          1HG       LYS  10   6.110   1.551   6.435
   83   1HD   LYS  10          2HD       LYS  10   7.798   3.093   7.144
   84   2HD   LYS  10          1HD       LYS  10   8.517   1.906   8.233
   85   1HE   LYS  10          2HE       LYS  10   8.327   1.273   5.295
   86   2HE   LYS  10          1HE       LYS  10   9.640   2.309   5.891
   87   1HZ   LYS  10          1HZ       LYS  10   9.776  -0.337   5.961
   88   2HZ   LYS  10          2HZ       LYS  10   9.032  -0.065   7.464
   89   3HZ   LYS  10          3HZ       LYS  10  10.534   0.649   7.115
   90    H    GLN  11           H        GLN  11   4.020   3.559  10.055
   91    HA   GLN  11           HA       GLN  11   3.029   1.863  12.151
   92   1HB   GLN  11          2HB       GLN  11   2.603   3.958  13.249
   93   2HB   GLN  11          1HB       GLN  11   4.039   4.204  12.255
   94   1HG   GLN  11          2HG       GLN  11   2.044   4.821  10.481
   95   2HG   GLN  11          1HG       GLN  11   1.352   5.393  12.000
   96   1HE2  GLN  11          1HE2      GLN  11   4.727   5.373  10.705
   97   2HE2  GLN  11          2HE2      GLN  11   4.990   7.030  10.970
   98    H    TYR  12           H        TYR  12   1.512   3.228   9.335
   99    HA   TYR  12           HA       TYR  12  -1.196   2.612  10.459
  100   1HB   TYR  12          2HB       TYR  12  -0.025   4.628   8.646
  101   2HB   TYR  12          1HB       TYR  12  -1.574   3.978   8.108
  102    HD1  TYR  12           HD1      TYR  12  -0.194   6.574   9.905
  103    HD2  TYR  12           HD2      TYR  12  -3.249   3.576  10.272
  104    HE1  TYR  12           HE1      TYR  12  -1.365   7.973  11.586
  105    HE2  TYR  12           HE2      TYR  12  -4.420   4.976  11.952
  106    HH   TYR  12           HH       TYR  12  -3.455   8.263  12.598
  107    H    LYS  13           H        LYS  13   1.128   1.091   8.735
  108    HA   LYS  13           HA       LYS  13  -0.577   0.035   6.560
  109   1HB   LYS  13          2HB       LYS  13   2.150   0.489   6.996
  110   2HB   LYS  13          1HB       LYS  13   1.991  -1.269   7.044
  111   1HG   LYS  13          2HG       LYS  13   1.923  -1.259   4.795
  112   2HG   LYS  13          1HG       LYS  13   0.370  -0.427   4.901
  113   1HD   LYS  13          2HD       LYS  13   1.404   1.268   3.809
  114   2HD   LYS  13          1HD       LYS  13   2.167   1.616   5.360
  115   1HE   LYS  13          2HE       LYS  13   3.929  -0.176   4.626
  116   2HE   LYS  13          1HE       LYS  13   3.303   0.134   2.994
  117   1HZ   LYS  13          1HZ       LYS  13   3.572   2.535   3.452
  118   2HZ   LYS  13          2HZ       LYS  13   5.049   1.694   3.440
  119   3HZ   LYS  13          3HZ       LYS  13   4.340   2.150   4.915
  120    H    HIS  14           H        HIS  14  -1.759  -0.592   8.983
  121    HA   HIS  14           HA       HIS  14  -0.850  -3.255   9.872
  122   1HB   HIS  14          2HB       HIS  14  -2.959  -1.239  10.599
  123   2HB   HIS  14          1HB       HIS  14  -3.124  -2.895  11.183
  124    HD1  HIS  14           HD1      HIS  14  -2.507  -0.491  13.106
  125    HD2  HIS  14           HD2      HIS  14   0.372  -3.040  11.496
  126    HE1  HIS  14           HE1      HIS  14  -0.502  -0.370  14.647
  127    H    TYR  15           H        TYR  15  -2.983  -1.891   7.546
  128    HA   TYR  15           HA       TYR  15  -4.615  -4.353   7.301
  129   1HB   TYR  15          2HB       TYR  15  -5.678  -2.940   5.463
  130   2HB   TYR  15          1HB       TYR  15  -5.767  -2.245   7.080
  131    HD1  TYR  15           HD1      TYR  15  -5.187  -0.008   7.312
  132    HD2  TYR  15           HD2      TYR  15  -3.403  -2.314   4.158
  133    HE1  TYR  15           HE1      TYR  15  -3.994   2.012   6.511
  134    HE2  TYR  15           HE2      TYR  15  -2.207  -0.293   3.357
  135    HH   TYR  15           HH       TYR  15  -1.603   2.259   5.006
  136    H    CYS  16           H        CYS  16  -1.575  -3.404   6.374
  137    HA   CYS  16           HA       CYS  16  -1.452  -5.427   4.241
  138   1HB   CYS  16          2HB       CYS  16  -1.460  -2.470   3.791
  139   2HB   CYS  16          1HB       CYS  16  -0.373  -3.445   2.802
  140    H    ILE  17           H        ILE  17   0.218  -6.433   5.458
  141    HA   ILE  17           HA       ILE  17   2.409  -5.043   6.689
  142    HB   ILE  17           HB       ILE  17   1.938  -7.872   5.717
  143   1HG1  ILE  17          2HG1      ILE  17   2.283  -7.115   8.579
  144   2HG1  ILE  17          1HG1      ILE  17   0.799  -6.579   7.789
  145   1HG2  ILE  17          1HG2      ILE  17   3.948  -8.559   6.832
  146   2HG2  ILE  17          2HG2      ILE  17   4.196  -6.951   7.513
  147   3HG2  ILE  17          3HG2      ILE  17   4.398  -7.217   5.780
  148   1HD1  ILE  17          1HD1      ILE  17   1.000  -8.996   8.931
  149   2HD1  ILE  17          2HD1      ILE  17   1.636  -9.405   7.338
  150   3HD1  ILE  17          3HD1      ILE  17   0.017  -8.725   7.493
  151    H    LYS  18           H        LYS  18   2.768  -7.309   3.958
  152    HA   LYS  18           HA       LYS  18   5.051  -5.720   2.952
  153   1HB   LYS  18          2HB       LYS  18   5.401  -7.693   1.550
  154   2HB   LYS  18          1HB       LYS  18   5.066  -8.212   3.203
  155   1HG   LYS  18          2HG       LYS  18   2.601  -8.364   2.466
  156   2HG   LYS  18          1HG       LYS  18   3.214  -8.261   0.817
  157   1HD   LYS  18          2HD       LYS  18   2.896 -10.617   1.657
  158   2HD   LYS  18          1HD       LYS  18   4.536 -10.261   1.113
  159   1HE   LYS  18          2HE       LYS  18   4.110  -9.639   3.957
  160   2HE   LYS  18          1HE       LYS  18   3.915 -11.359   3.569
  161   1HZ   LYS  18          1HZ       LYS  18   5.995 -11.254   2.311
  162   2HZ   LYS  18          2HZ       LYS  18   6.241 -10.862   3.945
  163   3HZ   LYS  18          3HZ       LYS  18   6.201  -9.635   2.771
  164    H    GLY  19           H        GLY  19   2.822  -4.179   2.641
  165   1HA   GLY  19          2HA       GLY  19   2.515  -4.128  -0.300
  166   2HA   GLY  19          1HA       GLY  19   1.032  -4.242   0.649
  167    H    ARG  20           H        ARG  20   1.440  -2.024  -0.972
  168    HA   ARG  20           HA       ARG  20   2.009   0.135   1.035
  169   1HB   ARG  20          2HB       ARG  20   2.392   0.140  -1.979
  170   2HB   ARG  20          1HB       ARG  20   2.831   1.445  -0.877
  171   1HG   ARG  20          2HG       ARG  20   4.139  -0.609   0.306
  172   2HG   ARG  20          1HG       ARG  20   4.192  -1.146  -1.374
  173   1HD   ARG  20          2HD       ARG  20   4.861   1.477  -1.691
  174   2HD   ARG  20          1HD       ARG  20   5.564   1.148  -0.094
  175    HE   ARG  20           HE       ARG  20   6.394  -1.044  -1.408
  176   1HH1  ARG  20          1HH2      ARG  20   5.736   0.458  -3.989
  177   2HH1  ARG  20          2HH2      ARG  20   7.287   1.115  -4.393
  178   1HH2  ARG  20          1HH1      ARG  20   8.631   0.573  -1.243
  179   2HH2  ARG  20          2HH1      ARG  20   8.925   1.180  -2.838
  180    H    CYS  21           H        CYS  21   0.276   1.476   1.405
  181    HA   CYS  21           HA       CYS  21  -2.004   1.376  -0.547
  182   1HB   CYS  21          2HB       CYS  21  -2.607   0.332   1.522
  183   2HB   CYS  21          1HB       CYS  21  -1.840   1.608   2.466
  184    H    ARG  22           H        ARG  22  -2.484   3.316  -1.491
  185    HA   ARG  22           HA       ARG  22  -1.162   5.777  -0.481
  186   1HB   ARG  22          2HB       ARG  22  -1.072   5.018  -2.877
  187   2HB   ARG  22          1HB       ARG  22  -2.818   5.251  -2.970
  188   1HG   ARG  22          2HG       ARG  22  -1.319   7.553  -1.883
  189   2HG   ARG  22          1HG       ARG  22  -0.991   7.187  -3.577
  190   1HD   ARG  22          2HD       ARG  22  -3.854   7.068  -2.877
  191   2HD   ARG  22          1HD       ARG  22  -3.132   8.683  -2.723
  192    HE   ARG  22           HE       ARG  22  -2.384   8.496  -5.066
  193   1HH1  ARG  22          1HH2      ARG  22  -5.246   7.012  -4.143
  194   2HH1  ARG  22          2HH2      ARG  22  -5.438   6.081  -5.590
  195   1HH2  ARG  22          1HH1      ARG  22  -2.305   6.884  -6.838
  196   2HH2  ARG  22          2HH1      ARG  22  -3.773   6.008  -7.116
  197    H    PHE  23           H        PHE  23  -2.346   7.503   0.372
  198    HA   PHE  23           HA       PHE  23  -5.311   7.098   0.607
  199   1HB   PHE  23          2HB       PHE  23  -3.619   7.009   2.623
  200   2HB   PHE  23          1HB       PHE  23  -3.647   8.766   2.475
  201    HD1  PHE  23           HD1      PHE  23  -6.247   9.607   1.926
  202    HD2  PHE  23           HD2      PHE  23  -5.061   6.200   4.258
  203    HE1  PHE  23           HE1      PHE  23  -8.415   9.677   3.129
  204    HE2  PHE  23           HE2      PHE  23  -7.230   6.270   5.461
  205    HZ   PHE  23           HZ       PHE  23  -8.906   8.008   4.897
  206    H    VAL  24           H        VAL  24  -6.265   8.490  -0.850
  207    HA   VAL  24           HA       VAL  24  -4.997  11.024  -1.613
  208    HB   VAL  24           HB       VAL  24  -7.697   9.782  -2.220
  209   1HG1  VAL  24          1HG1      VAL  24  -8.158  11.582  -3.507
  210   2HG1  VAL  24          2HG1      VAL  24  -6.534  11.596  -4.192
  211   3HG1  VAL  24          3HG1      VAL  24  -6.848  12.397  -2.653
  212   1HG2  VAL  24          1HG2      VAL  24  -5.379   8.664  -2.876
  213   2HG2  VAL  24          2HG2      VAL  24  -5.395   9.898  -4.136
  214   3HG2  VAL  24          3HG2      VAL  24  -6.707   8.722  -4.037
  215    H    VAL  25           H        VAL  25  -5.175  12.781  -0.293
  216    HA   VAL  25           HA       VAL  25  -7.230  12.994   1.772
  217    HB   VAL  25           HB       VAL  25  -5.238  15.039   0.743
  218   1HG1  VAL  25          1HG1      VAL  25  -6.165  14.696   3.583
  219   2HG1  VAL  25          2HG1      VAL  25  -7.167  15.584   2.437
  220   3HG1  VAL  25          3HG1      VAL  25  -5.531  16.137   2.788
  221   1HG2  VAL  25          1HG2      VAL  25  -4.874  12.499   2.180
  222   2HG2  VAL  25          2HG2      VAL  25  -4.156  13.882   3.006
  223   3HG2  VAL  25          3HG2      VAL  25  -3.683  13.501   1.352
  224    H    ALA  26           H        ALA  26  -6.352  15.244  -0.893
  225    HA   ALA  26           HA       ALA  26  -8.544  16.926  -0.905
  226   1HB   ALA  26          1HB       ALA  26  -6.666  15.801  -2.890
  227   2HB   ALA  26          2HB       ALA  26  -7.114  17.482  -2.602
  228   3HB   ALA  26          3HB       ALA  26  -8.150  16.449  -3.587
  229    H    GLU  27           H        GLU  27  -8.370  13.766  -2.564
  230    HA   GLU  27           HA       GLU  27 -11.365  13.746  -2.707
  231   1HB   GLU  27          2HB       GLU  27  -9.259  13.254  -4.580
  232   2HB   GLU  27          1HB       GLU  27 -10.090  11.723  -4.298
  233   1HG   GLU  27          2HG       GLU  27 -11.918  12.410  -5.429
  234   2HG   GLU  27          1HG       GLU  27 -11.967  13.938  -4.550
  235    H    GLN  28           H        GLN  28 -11.610  12.894  -0.548
  236    HA   GLN  28           HA       GLN  28 -10.349  10.968   0.882
  237   1HB   GLN  28          2HB       GLN  28 -12.614  12.144   1.227
  238   2HB   GLN  28          1HB       GLN  28 -13.319  10.783   0.353
  239   1HG   GLN  28          2HG       GLN  28 -11.779   9.427   2.108
  240   2HG   GLN  28          1HG       GLN  28 -12.114  10.868   3.069
  241   1HE2  GLN  28          1HE2      GLN  28 -14.670  11.542   2.646
  242   2HE2  GLN  28          2HE2      GLN  28 -15.740  10.252   2.914
  243    H    THR  29           H        THR  29  -9.196   9.463  -0.481
  244    HA   THR  29           HA       THR  29 -10.877   7.163  -1.348
  245    HB   THR  29           HB       THR  29  -9.015   8.803  -3.085
  246    HG1  THR  29           1HG      THR  29 -10.811   9.268  -4.136
  247   1HG2  THR  29          1HG2      THR  29  -9.564   7.023  -4.828
  248   2HG2  THR  29          2HG2      THR  29 -10.113   6.016  -3.488
  249   3HG2  THR  29          3HG2      THR  29  -8.431   6.539  -3.567
  250    HA   PRO  30           HA       PRO  30  -6.994   5.860   0.704
  251   1HB   PRO  30          2HB       PRO  30  -8.165   3.966   2.287
  252   2HB   PRO  30          1HB       PRO  30  -8.079   5.679   2.740
  253   1HG   PRO  30          2HG       PRO  30 -10.363   4.114   1.688
  254   2HG   PRO  30          1HG       PRO  30 -10.347   5.464   2.829
  255   1HD   PRO  30          2HD       PRO  30 -11.028   5.644   0.149
  256   2HD   PRO  30          1HD       PRO  30 -10.535   7.006   1.177
  257    H    SER  31           H        SER  31  -6.288   4.861  -1.297
  258    HA   SER  31           HA       SER  31  -7.497   2.261  -2.067
  259   1HB   SER  31          2HB       SER  31  -5.946   2.550  -4.006
  260   2HB   SER  31          1HB       SER  31  -6.988   3.950  -3.770
  261    HG   SER  31           HG       SER  31  -5.223   5.056  -3.568
  262    H    CYS  32           H        CYS  32  -6.627   0.380  -1.279
  263    HA   CYS  32           HA       CYS  32  -3.880   0.472  -0.102
  264   1HB   CYS  32          2HB       CYS  32  -4.658  -1.464   1.180
  265   2HB   CYS  32          1HB       CYS  32  -5.844  -0.164   1.304
  266    H    VAL  33           H        VAL  33  -2.266  -0.583  -1.168
  267    HA   VAL  33           HA       VAL  33  -3.021  -2.698  -3.160
  268    HB   VAL  33           HB       VAL  33  -0.802  -0.628  -3.291
  269   1HG1  VAL  33          1HG1      VAL  33  -1.618  -2.957  -4.972
  270   2HG1  VAL  33          2HG1      VAL  33  -0.007  -2.312  -4.654
  271   3HG1  VAL  33          3HG1      VAL  33  -1.070  -1.503  -5.806
  272   1HG2  VAL  33          1HG2      VAL  33  -2.153   0.610  -4.774
  273   2HG2  VAL  33          2HG2      VAL  33  -3.292   0.110  -3.524
  274   3HG2  VAL  33          3HG2      VAL  33  -3.239  -0.749  -5.063
  275    H    CYS  34           H        CYS  34  -1.345  -4.360  -3.454
  276    HA   CYS  34           HA       CYS  34   0.529  -4.578  -1.118
  277   1HB   CYS  34          2HB       CYS  34  -0.890  -6.847  -2.535
  278   2HB   CYS  34          1HB       CYS  34  -0.068  -6.898  -0.976
  279    H    ASP  35           H        ASP  35   2.485  -5.867  -1.583
  280    HA   ASP  35           HA       ASP  35   3.851  -5.203  -3.952
  281   1HB   ASP  35          2HB       ASP  35   4.283  -6.617  -1.574
  282   2HB   ASP  35          1HB       ASP  35   4.621  -7.789  -2.848
  283    H    GLU  36           H        GLU  36   3.358  -5.806  -6.024
  284    HA   GLU  36           HA       GLU  36   1.493  -7.611  -6.955
  285   1HB   GLU  36          2HB       GLU  36   4.241  -6.895  -8.016
  286   2HB   GLU  36          1HB       GLU  36   3.035  -7.755  -8.973
  287   1HG   GLU  36          2HG       GLU  36   2.390  -5.137  -7.617
  288   2HG   GLU  36          1HG       GLU  36   3.123  -5.188  -9.220
  289    H    GLY  37           H        GLY  37   4.855  -8.375  -6.035
  290   1HA   GLY  37          2HA       GLY  37   4.398 -11.241  -6.587
  291   2HA   GLY  37          1HA       GLY  37   5.925 -10.515  -6.083
  292    H    TYR  38           H        TYR  38   2.671 -10.378  -4.603
  293    HA   TYR  38           HA       TYR  38   3.888 -11.582  -2.141
  294   1HB   TYR  38          2HB       TYR  38   3.026  -9.846  -0.887
  295   2HB   TYR  38          1HB       TYR  38   3.212  -8.995  -2.417
  296    HD1  TYR  38           HD1      TYR  38   1.032  -9.384   0.198
  297    HD2  TYR  38           HD2      TYR  38   1.058  -9.621  -4.091
  298    HE1  TYR  38           HE1      TYR  38  -1.408  -8.946   0.157
  299    HE2  TYR  38           HE2      TYR  38  -1.380  -9.181  -4.131
  300    HH   TYR  38           HH       TYR  38  -3.048  -7.921  -2.391
  301    H    ILE  39           H        ILE  39   2.043 -12.423  -0.641
  302    HA   ILE  39           HA       ILE  39  -0.310 -13.430  -2.165
  303    HB   ILE  39           HB       ILE  39   1.904 -15.041  -0.884
  304   1HG1  ILE  39          2HG1      ILE  39   0.503 -15.248  -3.568
  305   2HG1  ILE  39          1HG1      ILE  39   2.044 -14.432  -3.303
  306   1HG2  ILE  39          1HG2      ILE  39  -0.982 -15.742  -1.308
  307   2HG2  ILE  39          2HG2      ILE  39   0.093 -16.190   0.016
  308   3HG2  ILE  39          3HG2      ILE  39   0.244 -16.987  -1.550
  309   1HD1  ILE  39          1HD1      ILE  39   1.654 -17.294  -2.449
  310   2HD1  ILE  39          2HD1      ILE  39   3.160 -16.439  -2.780
  311   3HD1  ILE  39          3HD1      ILE  39   2.097 -16.901  -4.110
  312    H    GLY  40           H        GLY  40  -2.110 -13.695  -0.826
  313   1HA   GLY  40          2HA       GLY  40  -2.930 -14.331   1.469
  314   2HA   GLY  40          1HA       GLY  40  -1.657 -13.289   2.106
  315    H    ALA  41           H        ALA  41  -4.395 -12.916   2.748
  316    HA   ALA  41           HA       ALA  41  -5.490 -10.767   1.077
  317   1HB   ALA  41          1HB       ALA  41  -7.359 -11.392   2.189
  318   2HB   ALA  41          2HB       ALA  41  -6.606 -11.055   3.747
  319   3HB   ALA  41          3HB       ALA  41  -6.385 -12.629   2.984
  320    H    ARG  42           H        ARG  42  -3.899 -11.031   4.260
  321    HA   ARG  42           HA       ARG  42  -3.959  -8.084   4.587
  322   1HB   ARG  42          2HB       ARG  42  -3.689 -10.494   6.229
  323   2HB   ARG  42          1HB       ARG  42  -2.525  -9.245   6.673
  324   1HG   ARG  42          2HG       ARG  42  -4.412  -8.692   7.966
  325   2HG   ARG  42          1HG       ARG  42  -4.564  -7.630   6.566
  326   1HD   ARG  42          2HD       ARG  42  -6.330  -8.852   5.657
  327   2HD   ARG  42          1HD       ARG  42  -5.844 -10.351   6.476
  328    HE   ARG  42           HE       ARG  42  -6.405  -8.728   8.596
  329   1HH1  ARG  42          1HH1      ARG  42  -8.082  -9.958   5.872
  330   2HH1  ARG  42          2HH1      ARG  42  -9.647  -9.483   6.442
  331   1HH2  ARG  42          1HH2      ARG  42  -8.425  -7.872   9.259
  332   2HH2  ARG  42          2HH2      ARG  42  -9.841  -8.301   8.359
  333    H    CYS  43           H        CYS  43  -2.126 -10.016   2.764
  334    HA   CYS  43           HA       CYS  43   0.021  -9.713   1.812
  335   1HB   CYS  43          2HB       CYS  43   0.335  -7.360   3.681
  336   2HB   CYS  43          1HB       CYS  43   0.985  -7.561   2.056
  337    H    GLU  44           H        GLU  44  -0.216 -11.564   3.892
  338    HA   GLU  44           HA       GLU  44   2.103 -11.032   5.699
  339   1HB   GLU  44          2HB       GLU  44  -0.111 -11.661   6.639
  340   2HB   GLU  44          1HB       GLU  44  -0.051 -13.169   5.726
  341   1HG   GLU  44          2HG       GLU  44   2.325 -13.360   6.946
  342   2HG   GLU  44          1HG       GLU  44   1.501 -12.352   8.137
  343    H    ARG  45           H        ARG  45   1.143 -12.903   2.940
  344    HA   ARG  45           HA       ARG  45   3.385 -14.832   3.333
  345   1HB   ARG  45          2HB       ARG  45   0.773 -15.075   2.486
  346   2HB   ARG  45          1HB       ARG  45   1.655 -15.042   0.960
  347   1HG   ARG  45          2HG       ARG  45   1.476 -17.350   1.747
  348   2HG   ARG  45          1HG       ARG  45   3.159 -16.829   1.825
  349   1HD   ARG  45          2HD       ARG  45   3.220 -17.013   4.095
  350   2HD   ARG  45          1HD       ARG  45   1.626 -16.255   4.280
  351    HE   ARG  45           HE       ARG  45   0.781 -18.556   3.331
  352   1HH1  ARG  45          1HH1      ARG  45   2.201 -17.913   6.222
  353   2HH1  ARG  45          2HH1      ARG  45   2.736 -19.525   6.558
  354   1HH2  ARG  45          1HH2      ARG  45   2.042 -20.704   3.372
  355   2HH2  ARG  45          2HH2      ARG  45   2.645 -21.107   4.945
  356    H    VAL  46           H        VAL  46   4.928 -15.141   1.575
  357    HA   VAL  46           HA       VAL  46   5.255 -12.698  -0.137
  358    HB   VAL  46           HB       VAL  46   6.961 -12.991   1.591
  359   1HG1  VAL  46          1HG1      VAL  46   7.220 -15.150   2.258
  360   2HG1  VAL  46          2HG1      VAL  46   8.410 -15.231   0.960
  361   3HG1  VAL  46          3HG1      VAL  46   6.762 -15.790   0.679
  362   1HG2  VAL  46          1HG2      VAL  46   7.724 -13.535  -1.269
  363   2HG2  VAL  46          2HG2      VAL  46   8.971 -13.480  -0.022
  364   3HG2  VAL  46          3HG2      VAL  46   7.957 -12.068  -0.320
  365    H    ASP  47           H        ASP  47   5.854 -13.028  -2.339
  366    HA   ASP  47           HA       ASP  47   5.133 -15.691  -3.429
  367   1HB   ASP  47          2HB       ASP  47   4.303 -13.362  -4.196
  368   2HB   ASP  47          1HB       ASP  47   5.891 -13.192  -4.946
  369    H    LEU  48           H        LEU  48   7.695 -13.313  -4.246
  370    HA   LEU  48           HA       LEU  48   9.511 -15.623  -4.829
  371   1HB   LEU  48          2HB       LEU  48   9.030 -12.907  -5.935
  372   2HB   LEU  48          1HB       LEU  48  10.715 -13.427  -5.892
  373    HG   LEU  48           HG       LEU  48   8.876 -15.514  -6.835
  374   1HD1  LEU  48          1HD1      LEU  48   8.148 -13.044  -7.708
  375   2HD1  LEU  48          2HD1      LEU  48   7.982 -14.505  -8.680
  376   3HD1  LEU  48          3HD1      LEU  48   9.377 -13.450  -8.904
  377   1HD2  LEU  48          1HD2      LEU  48  11.541 -14.332  -7.502
  378   2HD2  LEU  48          2HD2      LEU  48  10.704 -15.234  -8.765
  379   3HD2  LEU  48          3HD2      LEU  48  11.099 -16.018  -7.234
  380    H    PHE  49           H        PHE  49  11.899 -15.073  -4.367
  381    HA   PHE  49           HA       PHE  49  12.126 -14.199  -1.567
  382   1HB   PHE  49          2HB       PHE  49  13.535 -15.831  -3.507
  383   2HB   PHE  49          1HB       PHE  49  14.654 -14.734  -2.699
  384    HD1  PHE  49           HD1      PHE  49  13.153 -17.882  -2.480
  385    HD2  PHE  49           HD2      PHE  49  14.156 -14.484  -0.052
  386    HE1  PHE  49           HE1      PHE  49  13.096 -19.312  -0.456
  387    HE2  PHE  49           HE2      PHE  49  14.098 -15.915   1.974
  388    HZ   PHE  49           HZ       PHE  49  13.568 -18.329   1.772
  389    H    TYR  50           H        TYR  50  13.818 -13.297  -4.608
  390    HA   TYR  50           HA       TYR  50  14.769 -10.789  -3.393
  391   1HB   TYR  50          2HB       TYR  50  16.104 -12.240  -4.933
  392   2HB   TYR  50          1HB       TYR  50  14.958 -11.871  -6.223
  393    HD1  TYR  50           HD1      TYR  50  17.920 -10.805  -4.518
  394    HD2  TYR  50           HD2      TYR  50  14.558  -9.369  -6.773
  395    HE1  TYR  50           HE1      TYR  50  19.144  -8.704  -5.006
  396    HE2  TYR  50           HE2      TYR  50  15.782  -7.269  -7.261
  397    HH   TYR  50           HH       TYR  50  17.696  -5.948  -6.110
  Start of MODEL   24
    1   1H    ARG   1          H1        ARG   1  -1.688  20.722 -10.380
    2   2H    ARG   1          H2        ARG   1  -1.312  19.762 -11.729
    3   3H    ARG   1          H3        ARG   1  -0.241  19.838 -10.412
    4    HA   ARG   1           HA       ARG   1  -2.033  18.828  -9.000
    5   1HB   ARG   1          2HB       ARG   1  -3.213  18.698 -11.788
    6   2HB   ARG   1          1HB       ARG   1  -3.816  17.720 -10.449
    7   1HG   ARG   1          2HG       ARG   1  -4.188  19.813  -9.139
    8   2HG   ARG   1          1HG       ARG   1  -3.699  20.748 -10.552
    9   1HD   ARG   1          2HD       ARG   1  -5.746  18.731 -11.172
   10   2HD   ARG   1          1HD       ARG   1  -6.295  19.964 -10.021
   11    HE   ARG   1           HE       ARG   1  -5.545  20.446 -12.810
   12   1HH1  ARG   1          1HH2      ARG   1  -7.685  21.799 -11.033
   13   2HH1  ARG   1          2HH2      ARG   1  -7.038  23.402 -10.933
   14   1HH2  ARG   1          1HH1      ARG   1  -3.895  22.488 -12.080
   15   2HH2  ARG   1          2HH1      ARG   1  -4.890  23.792 -11.526
   16    H    LYS   2           H        LYS   2  -2.158  17.103 -12.057
   17    HA   LYS   2           HA       LYS   2  -1.283  14.964 -12.595
   18   1HB   LYS   2          2HB       LYS   2   0.529  16.565 -13.118
   19   2HB   LYS   2          1HB       LYS   2   1.132  16.419 -11.466
   20   1HG   LYS   2          2HG       LYS   2   1.443  13.967 -11.844
   21   2HG   LYS   2          1HG       LYS   2   0.969  14.201 -13.526
   22   1HD   LYS   2          2HD       LYS   2   3.253  15.711 -12.235
   23   2HD   LYS   2          1HD       LYS   2   3.474  14.193 -13.107
   24   1HE   LYS   2          2HE       LYS   2   3.503  15.335 -15.060
   25   2HE   LYS   2          1HE       LYS   2   1.861  15.924 -14.731
   26   1HZ   LYS   2          1HZ       LYS   2   4.227  17.082 -13.386
   27   2HZ   LYS   2          2HZ       LYS   2   2.669  17.743 -13.536
   28   3HZ   LYS   2          3HZ       LYS   2   3.696  17.665 -14.888
   29    H    GLY   3           H        GLY   3  -2.532  13.944 -10.772
   30   1HA   GLY   3          2HA       GLY   3  -2.656  12.565  -8.876
   31   2HA   GLY   3          1HA       GLY   3  -0.965  12.193  -9.211
   32    H    HIS   4           H        HIS   4   0.437  12.758  -7.629
   33    HA   HIS   4           HA       HIS   4   1.381  13.959  -5.819
   34   1HB   HIS   4          2HB       HIS   4  -0.055  15.788  -7.469
   35   2HB   HIS   4          1HB       HIS   4  -0.394  16.220  -5.792
   36    HD1  HIS   4           HD1      HIS   4   1.619  17.647  -7.982
   37    HD2  HIS   4           HD2      HIS   4   2.655  15.433  -4.606
   38    HE1  HIS   4           HE1      HIS   4   3.966  18.360  -7.351
   39    H    PHE   5           H        PHE   5   0.215  12.135  -4.599
   40    HA   PHE   5           HA       PHE   5  -2.033  13.231  -2.941
   41   1HB   PHE   5          2HB       PHE   5  -1.265  10.365  -3.589
   42   2HB   PHE   5          1HB       PHE   5  -2.704  10.878  -2.708
   43    HD1  PHE   5           HD1      PHE   5  -4.153  12.737  -3.974
   44    HD2  PHE   5           HD2      PHE   5  -1.476   9.968  -5.875
   45    HE1  PHE   5           HE1      PHE   5  -5.362  13.040  -6.117
   46    HE2  PHE   5           HE2      PHE   5  -2.686  10.271  -8.019
   47    HZ   PHE   5           HZ       PHE   5  -4.628  11.808  -8.140
   48    H    SER   6           H        SER   6  -1.784  11.072  -1.006
   49    HA   SER   6           HA       SER   6   0.798  11.859   0.309
   50   1HB   SER   6          2HB       SER   6  -1.662  10.985   1.793
   51   2HB   SER   6          1HB       SER   6  -0.388  12.088   2.307
   52    HG   SER   6           HG       SER   6  -1.956  13.452   1.759
   53    H    ARG   7           H        ARG   7   2.138  10.159   0.759
   54    HA   ARG   7           HA       ARG   7   1.252   7.403   0.241
   55   1HB   ARG   7          2HB       ARG   7   3.602   8.875   0.057
   56   2HB   ARG   7          1HB       ARG   7   3.886   7.841   1.458
   57   1HG   ARG   7          2HG       ARG   7   2.916   5.951  -0.086
   58   2HG   ARG   7          1HG       ARG   7   3.346   7.057  -1.392
   59   1HD   ARG   7          2HD       ARG   7   5.243   6.022   0.749
   60   2HD   ARG   7          1HD       ARG   7   5.234   5.543  -0.959
   61    HE   ARG   7           HE       ARG   7   5.881   8.291   0.024
   62   1HH1  ARG   7          1HH1      ARG   7   4.753   7.204  -2.822
   63   2HH1  ARG   7          2HH1      ARG   7   6.184   7.482  -3.758
   64   1HH2  ARG   7          1HH2      ARG   7   8.196   8.070  -0.995
   65   2HH2  ARG   7          2HH2      ARG   7   8.133   7.973  -2.724
   66    H    CYS   8           H        CYS   8   0.933   5.821   1.833
   67    HA   CYS   8           HA       CYS   8   0.490   6.766   4.581
   68   1HB   CYS   8          2HB       CYS   8  -0.357   4.653   2.818
   69   2HB   CYS   8          1HB       CYS   8   0.222   3.948   4.326
   70    HA   PRO   9           HA       PRO   9   4.575   5.520   5.826
   71   1HB   PRO   9          2HB       PRO   9   4.235   5.962   8.505
   72   2HB   PRO   9          1HB       PRO   9   4.497   7.272   7.337
   73   1HG   PRO   9          2HG       PRO   9   1.971   6.339   8.598
   74   2HG   PRO   9          1HG       PRO   9   2.497   7.982   8.204
   75   1HD   PRO   9          2HD       PRO   9   0.714   6.556   6.700
   76   2HD   PRO   9          1HD       PRO   9   1.751   7.844   6.050
   77    H    LYS  10           H        LYS  10   5.502   3.730   7.078
   78    HA   LYS  10           HA       LYS  10   3.929   1.334   7.086
   79   1HB   LYS  10          2HB       LYS  10   6.618   2.248   8.032
   80   2HB   LYS  10          1HB       LYS  10   6.034   0.681   8.596
   81   1HG   LYS  10          2HG       LYS  10   5.523   0.967   5.765
   82   2HG   LYS  10          1HG       LYS  10   7.231   1.248   6.106
   83   1HD   LYS  10          2HD       LYS  10   6.335  -0.977   7.681
   84   2HD   LYS  10          1HD       LYS  10   5.867  -1.245   6.002
   85   1HE   LYS  10          2HE       LYS  10   8.467  -0.226   5.817
   86   2HE   LYS  10          1HE       LYS  10   8.525  -1.348   7.193
   87   1HZ   LYS  10          1HZ       LYS  10   7.151  -2.026   4.658
   88   2HZ   LYS  10          2HZ       LYS  10   7.620  -3.074   5.911
   89   3HZ   LYS  10          3HZ       LYS  10   8.794  -2.371   4.904
   90    H    GLN  11           H        GLN  11   4.282   3.867   9.422
   91    HA   GLN  11           HA       GLN  11   3.773   2.408  11.838
   92   1HB   GLN  11          2HB       GLN  11   4.523   4.882  11.272
   93   2HB   GLN  11          1HB       GLN  11   2.790   5.203  11.349
   94   1HG   GLN  11          2HG       GLN  11   3.349   5.525  13.572
   95   2HG   GLN  11          1HG       GLN  11   2.983   3.800  13.600
   96   1HE2  GLN  11          1HE2      GLN  11   5.506   6.154  14.046
   97   2HE2  GLN  11          2HE2      GLN  11   6.765   5.053  14.336
   98    H    TYR  12           H        TYR  12   1.718   3.298   9.186
   99    HA   TYR  12           HA       TYR  12  -0.697   2.544  10.805
  100   1HB   TYR  12          2HB       TYR  12  -0.069   4.676   8.842
  101   2HB   TYR  12          1HB       TYR  12  -1.655   3.925   8.660
  102    HD1  TYR  12           HD1      TYR  12   0.407   6.141  10.666
  103    HD2  TYR  12           HD2      TYR  12  -3.234   3.862  10.621
  104    HE1  TYR  12           HE1      TYR  12  -0.441   7.454  12.592
  105    HE2  TYR  12           HE2      TYR  12  -4.080   5.174  12.547
  106    HH   TYR  12           HH       TYR  12  -2.064   7.668  14.098
  107    H    LYS  13           H        LYS  13   1.293   0.949   9.028
  108    HA   LYS  13           HA       LYS  13  -0.464   0.032   6.830
  109   1HB   LYS  13          2HB       LYS  13   2.333   0.117   7.483
  110   2HB   LYS  13          1HB       LYS  13   1.881  -1.556   7.157
  111   1HG   LYS  13          2HG       LYS  13   1.143  -1.065   4.979
  112   2HG   LYS  13          1HG       LYS  13   0.985   0.658   5.323
  113   1HD   LYS  13          2HD       LYS  13   3.706  -0.248   5.782
  114   2HD   LYS  13          1HD       LYS  13   3.187  -0.611   4.136
  115   1HE   LYS  13          2HE       LYS  13   2.863   2.118   5.434
  116   2HE   LYS  13          1HE       LYS  13   4.204   1.683   4.355
  117   1HZ   LYS  13          1HZ       LYS  13   2.855   1.562   2.564
  118   2HZ   LYS  13          2HZ       LYS  13   1.886   2.631   3.462
  119   3HZ   LYS  13          3HZ       LYS  13   1.535   0.969   3.447
  120    H    HIS  14           H        HIS  14  -1.727  -0.502   9.245
  121    HA   HIS  14           HA       HIS  14  -1.040  -3.228  10.138
  122   1HB   HIS  14          2HB       HIS  14  -2.940  -1.027  10.857
  123   2HB   HIS  14          1HB       HIS  14  -3.341  -2.663  11.380
  124    HD1  HIS  14           HD1      HIS  14  -0.357  -0.282  11.507
  125    HD2  HIS  14           HD2      HIS  14  -2.039  -3.402  13.703
  126    HE1  HIS  14           HE1      HIS  14   1.022  -0.497  13.620
  127    H    TYR  15           H        TYR  15  -3.026  -1.719   7.773
  128    HA   TYR  15           HA       TYR  15  -4.866  -4.028   7.537
  129   1HB   TYR  15          2HB       TYR  15  -5.751  -2.569   5.641
  130   2HB   TYR  15          1HB       TYR  15  -5.815  -1.834   7.241
  131    HD1  TYR  15           HD1      TYR  15  -5.038   0.345   7.445
  132    HD2  TYR  15           HD2      TYR  15  -3.396  -2.179   4.381
  133    HE1  TYR  15           HE1      TYR  15  -3.648   2.232   6.637
  134    HE2  TYR  15           HE2      TYR  15  -2.004  -0.290   3.573
  135    HH   TYR  15           HH       TYR  15  -1.042   1.878   4.656
  136    H    CYS  16           H        CYS  16  -1.731  -3.501   6.704
  137    HA   CYS  16           HA       CYS  16  -1.841  -5.487   4.527
  138   1HB   CYS  16          2HB       CYS  16  -1.432  -2.564   4.164
  139   2HB   CYS  16          1HB       CYS  16  -0.348  -3.616   3.254
  140    H    ILE  17           H        ILE  17  -0.308  -6.850   5.406
  141    HA   ILE  17           HA       ILE  17   1.897  -6.031   7.042
  142    HB   ILE  17           HB       ILE  17   1.177  -8.481   5.430
  143   1HG1  ILE  17          2HG1      ILE  17  -0.144  -8.017   7.445
  144   2HG1  ILE  17          1HG1      ILE  17   0.882  -9.427   7.713
  145   1HG2  ILE  17          1HG2      ILE  17   3.408  -8.960   5.453
  146   2HG2  ILE  17          2HG2      ILE  17   3.105  -9.363   7.143
  147   3HG2  ILE  17          3HG2      ILE  17   3.749  -7.777   6.716
  148   1HD1  ILE  17          1HD1      ILE  17   1.385  -8.266   9.636
  149   2HD1  ILE  17          2HD1      ILE  17   1.066  -6.697   8.898
  150   3HD1  ILE  17          3HD1      ILE  17   2.580  -7.536   8.565
  151    H    LYS  18           H        LYS  18   2.197  -7.541   3.808
  152    HA   LYS  18           HA       LYS  18   4.625  -5.857   3.352
  153   1HB   LYS  18          2HB       LYS  18   5.311  -7.648   1.889
  154   2HB   LYS  18          1HB       LYS  18   4.683  -8.399   3.356
  155   1HG   LYS  18          2HG       LYS  18   2.400  -8.363   2.036
  156   2HG   LYS  18          1HG       LYS  18   3.453  -8.260   0.625
  157   1HD   LYS  18          2HD       LYS  18   3.387 -10.434   2.729
  158   2HD   LYS  18          1HD       LYS  18   3.076 -10.594   1.001
  159   1HE   LYS  18          2HE       LYS  18   5.748  -9.821   2.234
  160   2HE   LYS  18          1HE       LYS  18   5.351 -11.403   1.533
  161   1HZ   LYS  18          1HZ       LYS  18   6.417  -9.941  -0.098
  162   2HZ   LYS  18          2HZ       LYS  18   5.173  -8.802   0.105
  163   3HZ   LYS  18          3HZ       LYS  18   4.830 -10.328  -0.556
  164    H    GLY  19           H        GLY  19   2.420  -4.358   2.935
  165   1HA   GLY  19          2HA       GLY  19   2.363  -4.101  -0.017
  166   2HA   GLY  19          1HA       GLY  19   0.811  -4.275   0.805
  167    H    ARG  20           H        ARG  20   1.852  -1.950  -0.695
  168    HA   ARG  20           HA       ARG  20   2.269   0.092   1.425
  169   1HB   ARG  20          2HB       ARG  20   2.295   0.144  -1.612
  170   2HB   ARG  20          1HB       ARG  20   2.670   1.534  -0.592
  171   1HG   ARG  20          2HG       ARG  20   4.170  -0.825   0.224
  172   2HG   ARG  20          1HG       ARG  20   4.480  -0.408  -1.461
  173   1HD   ARG  20          2HD       ARG  20   4.543   2.073  -0.280
  174   2HD   ARG  20          1HD       ARG  20   5.243   1.049   0.990
  175    HE   ARG  20           HE       ARG  20   6.535   1.681  -1.493
  176   1HH1  ARG  20          1HH1      ARG  20   7.794   0.518   1.034
  177   2HH1  ARG  20          2HH1      ARG  20   8.354  -1.013   0.451
  178   1HH2  ARG  20          1HH2      ARG  20   6.419  -0.927  -2.425
  179   2HH2  ARG  20          2HH2      ARG  20   7.576  -1.831  -1.506
  180    H    CYS  21           H        CYS  21   0.975   2.256   0.784
  181    HA   CYS  21           HA       CYS  21  -1.758   1.699  -0.195
  182   1HB   CYS  21          2HB       CYS  21  -1.965   0.994   2.078
  183   2HB   CYS  21          1HB       CYS  21  -1.014   2.358   2.663
  184    H    ARG  22           H        ARG  22  -2.531   3.516  -1.206
  185    HA   ARG  22           HA       ARG  22  -1.056   6.086  -0.777
  186   1HB   ARG  22          2HB       ARG  22  -0.919   5.269  -3.030
  187   2HB   ARG  22          1HB       ARG  22  -2.640   4.882  -3.061
  188   1HG   ARG  22          2HG       ARG  22  -2.203   7.678  -2.396
  189   2HG   ARG  22          1HG       ARG  22  -1.460   7.263  -3.941
  190   1HD   ARG  22          2HD       ARG  22  -4.325   6.558  -3.216
  191   2HD   ARG  22          1HD       ARG  22  -3.863   7.981  -4.171
  192    HE   ARG  22           HE       ARG  22  -3.000   5.246  -5.021
  193   1HH1  ARG  22          1HH2      ARG  22  -2.150   7.486  -6.715
  194   2HH1  ARG  22          2HH2      ARG  22  -3.407   7.586  -7.903
  195   1HH2  ARG  22          1HH1      ARG  22  -5.664   5.709  -6.057
  196   2HH2  ARG  22          2HH1      ARG  22  -5.396   6.580  -7.530
  197    H    PHE  23           H        PHE  23  -2.196   7.353   0.660
  198    HA   PHE  23           HA       PHE  23  -5.157   7.182   0.758
  199   1HB   PHE  23          2HB       PHE  23  -3.376   7.244   2.699
  200   2HB   PHE  23          1HB       PHE  23  -3.431   8.987   2.428
  201    HD1  PHE  23           HD1      PHE  23  -5.998   9.845   2.008
  202    HD2  PHE  23           HD2      PHE  23  -4.801   6.456   4.360
  203    HE1  PHE  23           HE1      PHE  23  -8.118   9.979   3.283
  204    HE2  PHE  23           HE2      PHE  23  -6.921   6.593   5.638
  205    HZ   PHE  23           HZ       PHE  23  -8.581   8.355   5.099
  206    H    VAL  24           H        VAL  24  -6.168   8.450  -0.766
  207    HA   VAL  24           HA       VAL  24  -4.961  10.961  -1.715
  208    HB   VAL  24           HB       VAL  24  -7.643   9.638  -2.247
  209   1HG1  VAL  24          1HG1      VAL  24  -7.189  10.996  -4.471
  210   2HG1  VAL  24          2HG1      VAL  24  -6.186  11.987  -3.411
  211   3HG1  VAL  24          3HG1      VAL  24  -7.906  11.797  -3.074
  212   1HG2  VAL  24          1HG2      VAL  24  -6.539   8.751  -4.269
  213   2HG2  VAL  24          2HG2      VAL  24  -5.716   8.190  -2.813
  214   3HG2  VAL  24          3HG2      VAL  24  -5.021   9.497  -3.771
  215    H    VAL  25           H        VAL  25  -5.136  12.706  -0.360
  216    HA   VAL  25           HA       VAL  25  -7.220  12.981   1.644
  217    HB   VAL  25           HB       VAL  25  -5.256  14.996   0.507
  218   1HG1  VAL  25          1HG1      VAL  25  -6.896  16.094   1.880
  219   2HG1  VAL  25          2HG1      VAL  25  -5.445  15.913   2.866
  220   3HG1  VAL  25          3HG1      VAL  25  -6.812  14.822   3.099
  221   1HG2  VAL  25          1HG2      VAL  25  -4.041  14.188   2.720
  222   2HG2  VAL  25          2HG2      VAL  25  -3.845  13.286   1.216
  223   3HG2  VAL  25          3HG2      VAL  25  -4.980  12.721   2.442
  224    H    ALA  26           H        ALA  26  -6.439  15.027  -1.212
  225    HA   ALA  26           HA       ALA  26  -8.610  16.722  -1.296
  226   1HB   ALA  26          1HB       ALA  26  -8.392  16.127  -3.911
  227   2HB   ALA  26          2HB       ALA  26  -6.963  15.276  -3.325
  228   3HB   ALA  26          3HB       ALA  26  -7.130  17.010  -3.052
  229    H    GLU  27           H        GLU  27  -8.603  13.541  -2.941
  230    HA   GLU  27           HA       GLU  27 -11.586  13.509  -2.757
  231   1HB   GLU  27          2HB       GLU  27  -9.588  11.928  -4.417
  232   2HB   GLU  27          1HB       GLU  27 -11.342  11.783  -4.542
  233   1HG   GLU  27          2HG       GLU  27 -11.457  14.222  -5.093
  234   2HG   GLU  27          1HG       GLU  27  -9.694  14.266  -5.101
  235    H    GLN  28           H        GLN  28 -11.741  12.766  -0.569
  236    HA   GLN  28           HA       GLN  28 -10.413  10.969   0.948
  237   1HB   GLN  28          2HB       GLN  28 -12.990  11.996   0.808
  238   2HB   GLN  28          1HB       GLN  28 -13.249  10.252   0.807
  239   1HG   GLN  28          2HG       GLN  28 -11.971   9.992   2.842
  240   2HG   GLN  28          1HG       GLN  28 -11.469  11.682   2.798
  241   1HE2  GLN  28          1HE2      GLN  28 -14.660  10.000   2.492
  242   2HE2  GLN  28          2HE2      GLN  28 -15.445  10.985   3.631
  243    H    THR  29           H        THR  29  -9.233   9.412  -0.338
  244    HA   THR  29           HA       THR  29 -10.847   7.002  -1.005
  245    HB   THR  29           HB       THR  29  -9.102   8.587  -2.907
  246    HG1  THR  29           1HG      THR  29 -11.800   7.722  -2.894
  247   1HG2  THR  29          1HG2      THR  29  -9.471   6.738  -4.515
  248   2HG2  THR  29          2HG2      THR  29 -10.249   5.801  -3.239
  249   3HG2  THR  29          3HG2      THR  29  -8.538   6.209  -3.116
  250    HA   PRO  30           HA       PRO  30  -6.864   5.962   1.002
  251   1HB   PRO  30          2HB       PRO  30  -7.911   4.039   2.639
  252   2HB   PRO  30          1HB       PRO  30  -7.909   5.764   3.057
  253   1HG   PRO  30          2HG       PRO  30 -10.120   4.064   2.044
  254   2HG   PRO  30          1HG       PRO  30 -10.163   5.416   3.186
  255   1HD   PRO  30          2HD       PRO  30 -10.901   5.573   0.531
  256   2HD   PRO  30          1HD       PRO  30 -10.410   6.957   1.533
  257    H    SER  31           H        SER  31  -6.171   4.981  -1.021
  258    HA   SER  31           HA       SER  31  -7.234   2.313  -1.733
  259   1HB   SER  31          2HB       SER  31  -5.341   2.725  -3.528
  260   2HB   SER  31          1HB       SER  31  -6.836   3.656  -3.605
  261    HG   SER  31           HG       SER  31  -5.792   5.397  -2.973
  262    H    CYS  32           H        CYS  32  -5.930   0.402  -1.663
  263    HA   CYS  32           HA       CYS  32  -3.310   0.658  -0.236
  264   1HB   CYS  32          2HB       CYS  32  -4.051  -1.342   1.096
  265   2HB   CYS  32          1HB       CYS  32  -5.040   0.091   1.377
  266    H    VAL  33           H        VAL  33  -1.805  -0.202  -1.609
  267    HA   VAL  33           HA       VAL  33  -2.602  -2.503  -3.356
  268    HB   VAL  33           HB       VAL  33  -0.276  -0.559  -3.538
  269   1HG1  VAL  33          1HG1      VAL  33  -1.435  -2.485  -5.575
  270   2HG1  VAL  33          2HG1      VAL  33   0.054  -2.753  -4.668
  271   3HG1  VAL  33          3HG1      VAL  33  -0.050  -1.420  -5.818
  272   1HG2  VAL  33          1HG2      VAL  33  -2.393   0.627  -3.806
  273   2HG2  VAL  33          2HG2      VAL  33  -2.968  -0.596  -4.938
  274   3HG2  VAL  33          3HG2      VAL  33  -1.626   0.457  -5.385
  275    H    CYS  34           H        CYS  34  -1.017  -4.274  -3.535
  276    HA   CYS  34           HA       CYS  34   0.803  -4.459  -1.151
  277   1HB   CYS  34          2HB       CYS  34  -0.652  -6.712  -2.560
  278   2HB   CYS  34          1HB       CYS  34   0.153  -6.773  -0.992
  279    H    ASP  35           H        ASP  35   2.710  -5.877  -1.514
  280    HA   ASP  35           HA       ASP  35   4.245  -5.282  -3.775
  281   1HB   ASP  35          2HB       ASP  35   4.246  -7.152  -1.536
  282   2HB   ASP  35          1HB       ASP  35   5.021  -7.846  -2.960
  283    H    GLU  36           H        GLU  36   3.996  -5.850  -5.902
  284    HA   GLU  36           HA       GLU  36   1.973  -7.394  -7.023
  285   1HB   GLU  36          2HB       GLU  36   3.840  -5.899  -8.040
  286   2HB   GLU  36          1HB       GLU  36   4.791  -7.384  -8.106
  287   1HG   GLU  36          2HG       GLU  36   3.347  -8.399  -9.641
  288   2HG   GLU  36          1HG       GLU  36   1.995  -7.352  -9.210
  289    H    GLY  37           H        GLY  37   5.179  -8.529  -5.931
  290   1HA   GLY  37          2HA       GLY  37   4.457 -11.315  -6.598
  291   2HA   GLY  37          1HA       GLY  37   6.021 -10.770  -5.988
  292    H    TYR  38           H        TYR  38   2.771 -10.197  -4.634
  293    HA   TYR  38           HA       TYR  38   3.714 -11.577  -2.145
  294   1HB   TYR  38          2HB       TYR  38   2.849  -9.813  -0.936
  295   2HB   TYR  38          1HB       TYR  38   3.164  -8.957  -2.441
  296    HD1  TYR  38           HD1      TYR  38   0.812  -9.264   0.025
  297    HD2  TYR  38           HD2      TYR  38   1.097  -9.507  -4.255
  298    HE1  TYR  38           HE1      TYR  38  -1.605  -8.738  -0.168
  299    HE2  TYR  38           HE2      TYR  38  -1.318  -8.980  -4.446
  300    HH   TYR  38           HH       TYR  38  -3.064  -7.579  -2.347
  301    H    ILE  39           H        ILE  39   1.816 -12.456  -0.818
  302    HA   ILE  39           HA       ILE  39  -0.570 -13.208  -2.417
  303    HB   ILE  39           HB       ILE  39   1.572 -15.065  -1.365
  304   1HG1  ILE  39          2HG1      ILE  39   0.165 -14.877  -4.047
  305   2HG1  ILE  39          1HG1      ILE  39   1.736 -14.158  -3.692
  306   1HG2  ILE  39          1HG2      ILE  39  -0.249 -16.277  -0.624
  307   2HG2  ILE  39          2HG2      ILE  39  -0.230 -16.799  -2.309
  308   3HG2  ILE  39          3HG2      ILE  39  -1.348 -15.538  -1.788
  309   1HD1  ILE  39          1HD1      ILE  39   2.097 -16.310  -4.760
  310   2HD1  ILE  39          2HD1      ILE  39   1.034 -17.104  -3.599
  311   3HD1  ILE  39          3HD1      ILE  39   2.576 -16.435  -3.066
  312    H    GLY  40           H        GLY  40  -2.283 -14.089  -1.042
  313   1HA   GLY  40          2HA       GLY  40  -3.017 -14.807   1.214
  314   2HA   GLY  40          1HA       GLY  40  -1.802 -13.719   1.886
  315    H    ALA  41           H        ALA  41  -4.518 -13.568   2.640
  316    HA   ALA  41           HA       ALA  41  -5.813 -11.408   1.130
  317   1HB   ALA  41          1HB       ALA  41  -6.984 -13.290   2.302
  318   2HB   ALA  41          2HB       ALA  41  -7.543 -11.703   2.832
  319   3HB   ALA  41          3HB       ALA  41  -6.430 -12.630   3.840
  320    H    ARG  42           H        ARG  42  -3.800 -11.729   4.003
  321    HA   ARG  42           HA       ARG  42  -4.174  -8.825   4.610
  322   1HB   ARG  42          2HB       ARG  42  -3.230 -11.259   6.126
  323   2HB   ARG  42          1HB       ARG  42  -2.911  -9.634   6.734
  324   1HG   ARG  42          2HG       ARG  42  -4.966  -9.758   7.676
  325   2HG   ARG  42          1HG       ARG  42  -5.589  -9.514   6.043
  326   1HD   ARG  42          2HD       ARG  42  -6.220 -11.712   5.817
  327   2HD   ARG  42          1HD       ARG  42  -4.833 -12.309   6.752
  328    HE   ARG  42           HE       ARG  42  -7.060 -10.857   8.120
  329   1HH1  ARG  42          1HH1      ARG  42  -4.346 -12.671   8.677
  330   2HH1  ARG  42          2HH1      ARG  42  -5.100 -13.848   9.699
  331   1HH2  ARG  42          1HH2      ARG  42  -8.323 -12.760   9.023
  332   2HH2  ARG  42          2HH2      ARG  42  -7.352 -13.898   9.897
  333    H    CYS  43           H        CYS  43  -2.357 -10.311   2.513
  334    HA   CYS  43           HA       CYS  43  -0.228  -9.877   1.580
  335   1HB   CYS  43          2HB       CYS  43  -0.146  -7.658   3.641
  336   2HB   CYS  43          1HB       CYS  43   0.653  -7.694   2.070
  337    H    GLU  44           H        GLU  44  -0.487 -11.733   3.852
  338    HA   GLU  44           HA       GLU  44   2.023 -11.265   5.391
  339   1HB   GLU  44          2HB       GLU  44   1.107 -13.099   6.790
  340   2HB   GLU  44          1HB       GLU  44  -0.072 -11.804   6.579
  341   1HG   GLU  44          2HG       GLU  44  -1.513 -13.174   5.515
  342   2HG   GLU  44          1HG       GLU  44  -0.249 -13.771   4.438
  343    H    ARG  45           H        ARG  45   0.781 -13.115   2.747
  344    HA   ARG  45           HA       ARG  45   2.956 -15.142   2.980
  345   1HB   ARG  45          2HB       ARG  45   0.252 -14.959   1.886
  346   2HB   ARG  45          1HB       ARG  45   1.387 -15.658   0.729
  347   1HG   ARG  45          2HG       ARG  45   2.179 -17.037   2.857
  348   2HG   ARG  45          1HG       ARG  45   0.542 -16.683   3.409
  349   1HD   ARG  45          2HD       ARG  45   0.765 -17.624   0.597
  350   2HD   ARG  45          1HD       ARG  45   1.114 -18.827   1.854
  351    HE   ARG  45           HE       ARG  45  -1.342 -17.154   2.092
  352   1HH1  ARG  45          1HH2      ARG  45  -0.228 -20.029   0.733
  353   2HH1  ARG  45          2HH2      ARG  45  -1.423 -21.041   1.475
  354   1HH2  ARG  45          1HH1      ARG  45  -2.693 -18.519   3.486
  355   2HH2  ARG  45          2HH1      ARG  45  -2.818 -20.186   3.034
  356    H    VAL  46           H        VAL  46   4.035 -15.680   0.805
  357    HA   VAL  46           HA       VAL  46   4.368 -13.266  -0.928
  358    HB   VAL  46           HB       VAL  46   6.130 -13.178   0.728
  359   1HG1  VAL  46          1HG1      VAL  46   6.070 -15.407   1.616
  360   2HG1  VAL  46          2HG1      VAL  46   7.684 -15.182   0.942
  361   3HG1  VAL  46          3HG1      VAL  46   6.478 -16.109   0.050
  362   1HG2  VAL  46          1HG2      VAL  46   6.947 -12.626  -1.457
  363   2HG2  VAL  46          2HG2      VAL  46   7.021 -14.324  -1.930
  364   3HG2  VAL  46          3HG2      VAL  46   8.157 -13.691  -0.739
  365    H    ASP  47           H        ASP  47   5.168 -13.806  -3.072
  366    HA   ASP  47           HA       ASP  47   4.461 -16.561  -3.902
  367   1HB   ASP  47          2HB       ASP  47   3.571 -14.576  -5.069
  368   2HB   ASP  47          1HB       ASP  47   5.215 -14.051  -5.435
  369    H    LEU  48           H        LEU  48   7.024 -14.438  -5.173
  370    HA   LEU  48           HA       LEU  48   9.150 -16.285  -4.342
  371   1HB   LEU  48          2HB       LEU  48   9.558 -17.273  -6.421
  372   2HB   LEU  48          1HB       LEU  48   7.800 -17.172  -6.420
  373    HG   LEU  48           HG       LEU  48   8.246 -14.809  -7.522
  374   1HD1  LEU  48          1HD1      LEU  48  10.485 -16.004  -8.950
  375   2HD1  LEU  48          2HD1      LEU  48  10.862 -15.753  -7.246
  376   3HD1  LEU  48          3HD1      LEU  48  10.344 -14.394  -8.244
  377   1HD2  LEU  48          1HD2      LEU  48   7.144 -16.032  -9.073
  378   2HD2  LEU  48          2HD2      LEU  48   7.932 -17.523  -8.558
  379   3HD2  LEU  48          3HD2      LEU  48   8.729 -16.460  -9.718
  380    H    PHE  49           H        PHE  49   8.147 -13.468  -6.252
  381    HA   PHE  49           HA       PHE  49  10.618 -12.374  -6.995
  382   1HB   PHE  49          2HB       PHE  49   7.884 -11.453  -6.372
  383   2HB   PHE  49          1HB       PHE  49   9.118 -10.201  -6.233
  384    HD1  PHE  49           HD1      PHE  49   6.783 -10.969  -8.408
  385    HD2  PHE  49           HD2      PHE  49  11.075 -11.072  -8.275
  386    HE1  PHE  49           HE1      PHE  49   6.864 -10.769 -10.878
  387    HE2  PHE  49           HE2      PHE  49  11.156 -10.873 -10.745
  388    HZ   PHE  49           HZ       PHE  49   9.051 -10.722 -12.047
  389    H    TYR  50           H        TYR  50   8.873 -11.087  -4.157
  390    HA   TYR  50           HA       TYR  50  11.124  -9.925  -2.904
  391   1HB   TYR  50          2HB       TYR  50   8.589  -9.713  -2.471
  392   2HB   TYR  50          1HB       TYR  50   8.764 -11.148  -1.461
  393    HD1  TYR  50           HD1      TYR  50  10.158 -11.098   0.576
  394    HD2  TYR  50           HD2      TYR  50   9.524  -7.579  -1.803
  395    HE1  TYR  50           HE1      TYR  50  10.998  -9.689   2.437
  396    HE2  TYR  50           HE2      TYR  50  10.363  -6.170   0.056
  397    HH   TYR  50           HH       TYR  50  10.510  -6.994   3.065
  Start of MODEL   25
    1   1H    ARG   1          H1        ARG   1  -4.200  15.359 -12.876
    2   2H    ARG   1          H2        ARG   1  -3.956  13.758 -13.390
    3   3H    ARG   1          H3        ARG   1  -4.937  14.805 -14.299
    4    HA   ARG   1           HA       ARG   1  -2.841  14.636 -15.421
    5   1HB   ARG   1          2HB       ARG   1  -4.011  16.992 -14.245
    6   2HB   ARG   1          1HB       ARG   1  -2.270  17.226 -14.400
    7   1HG   ARG   1          2HG       ARG   1  -2.314  17.099 -16.700
    8   2HG   ARG   1          1HG       ARG   1  -3.702  16.009 -16.718
    9   1HD   ARG   1          2HD       ARG   1  -4.978  18.118 -15.735
   10   2HD   ARG   1          1HD       ARG   1  -3.655  19.002 -16.521
   11    HE   ARG   1           HE       ARG   1  -5.797  17.710 -17.914
   12   1HH1  ARG   1          1HH1      ARG   1  -2.861  19.245 -18.317
   13   2HH1  ARG   1          2HH1      ARG   1  -2.481  18.521 -19.844
   14   1HH2  ARG   1          1HH2      ARG   1  -5.109  16.262 -19.727
   15   2HH2  ARG   1          2HH2      ARG   1  -3.754  16.833 -20.642
   16    H    LYS   2           H        LYS   2  -2.456  15.691 -12.026
   17    HA   LYS   2           HA       LYS   2   0.414  14.833 -12.174
   18   1HB   LYS   2          2HB       LYS   2  -1.108  17.013 -10.803
   19   2HB   LYS   2          1HB       LYS   2   0.325  16.377  -9.994
   20   1HG   LYS   2          2HG       LYS   2   0.889  16.772 -12.794
   21   2HG   LYS   2          1HG       LYS   2   0.247  18.262 -12.100
   22   1HD   LYS   2          2HD       LYS   2   2.582  18.386 -11.707
   23   2HD   LYS   2          1HD       LYS   2   1.900  17.866 -10.166
   24   1HE   LYS   2          2HE       LYS   2   3.844  16.465 -10.689
   25   2HE   LYS   2          1HE       LYS   2   2.377  15.478 -10.844
   26   1HZ   LYS   2          1HZ       LYS   2   4.075  15.528 -12.786
   27   2HZ   LYS   2          2HZ       LYS   2   3.351  17.020 -13.153
   28   3HZ   LYS   2          3HZ       LYS   2   2.415  15.602 -13.128
   29    H    GLY   3           H        GLY   3  -2.376  14.979  -9.921
   30   1HA   GLY   3          2HA       GLY   3  -3.149  13.218  -8.513
   31   2HA   GLY   3          1HA       GLY   3  -1.740  12.263  -8.979
   32    H    HIS   4           H        HIS   4   0.165  12.450  -7.761
   33    HA   HIS   4           HA       HIS   4   1.442  12.896  -5.824
   34   1HB   HIS   4          2HB       HIS   4   0.053  15.433  -6.596
   35   2HB   HIS   4          1HB       HIS   4   0.917  15.400  -5.059
   36    HD1  HIS   4           HD1      HIS   4   2.207  13.300  -7.854
   37    HD2  HIS   4           HD2      HIS   4   2.999  17.042  -6.196
   38    HE1  HIS   4           HE1      HIS   4   4.425  14.054  -8.816
   39    H    PHE   5           H        PHE   5   0.387  11.389  -4.409
   40    HA   PHE   5           HA       PHE   5  -1.777  12.550  -2.684
   41   1HB   PHE   5          2HB       PHE   5  -1.094   9.644  -3.225
   42   2HB   PHE   5          1HB       PHE   5  -2.549  10.265  -2.443
   43    HD1  PHE   5           HD1      PHE   5  -3.841  12.121  -3.892
   44    HD2  PHE   5           HD2      PHE   5  -1.241   9.094  -5.481
   45    HE1  PHE   5           HE1      PHE   5  -4.939  12.339  -6.104
   46    HE2  PHE   5           HE2      PHE   5  -2.340   9.312  -7.693
   47    HZ   PHE   5           HZ       PHE   5  -4.189  10.934  -8.005
   48    H    SER   6           H        SER   6  -1.473  10.340  -0.778
   49    HA   SER   6           HA       SER   6   1.169  11.072   0.446
   50   1HB   SER   6          2HB       SER   6  -1.456  10.498   1.852
   51   2HB   SER   6          1HB       SER   6   0.017  11.137   2.577
   52    HG   SER   6           HG       SER   6  -0.233  12.971   1.211
   53    H    ARG   7           H        ARG   7   2.439   9.292   0.774
   54    HA   ARG   7           HA       ARG   7   1.346   6.591   0.417
   55   1HB   ARG   7          2HB       ARG   7   4.036   7.871   0.870
   56   2HB   ARG   7          1HB       ARG   7   3.861   6.119   0.972
   57   1HG   ARG   7          2HG       ARG   7   2.516   7.207  -1.375
   58   2HG   ARG   7          1HG       ARG   7   4.237   7.593  -1.364
   59   1HD   ARG   7          2HD       ARG   7   4.867   5.390  -1.591
   60   2HD   ARG   7          1HD       ARG   7   3.500   4.797  -0.627
   61    HE   ARG   7           HE       ARG   7   2.127   4.864  -2.583
   62   1HH1  ARG   7          1HH2      ARG   7   4.922   4.162  -3.769
   63   2HH1  ARG   7          2HH2      ARG   7   4.914   5.177  -5.172
   64   1HH2  ARG   7          1HH1      ARG   7   2.236   7.097  -4.092
   65   2HH2  ARG   7          2HH1      ARG   7   3.393   6.839  -5.355
   66    H    CYS   8           H        CYS   8   0.421   5.523   2.121
   67    HA   CYS   8           HA       CYS   8   0.547   6.373   4.848
   68   1HB   CYS   8          2HB       CYS   8  -0.727   4.417   3.225
   69   2HB   CYS   8          1HB       CYS   8   0.013   3.555   4.573
   70    HA   PRO   9           HA       PRO   9   4.622   4.754   5.684
   71   1HB   PRO   9          2HB       PRO   9   4.671   5.447   8.332
   72   2HB   PRO   9          1HB       PRO   9   4.948   6.613   7.023
   73   1HG   PRO   9          2HG       PRO   9   2.492   6.120   8.629
   74   2HG   PRO   9          1HG       PRO   9   3.173   7.647   8.047
   75   1HD   PRO   9          2HD       PRO   9   1.061   6.392   6.863
   76   2HD   PRO   9          1HD       PRO   9   2.189   7.451   5.990
   77    H    LYS  10           H        LYS  10   5.492   3.014   7.092
   78    HA   LYS  10           HA       LYS  10   3.883   0.730   7.337
   79   1HB   LYS  10          2HB       LYS  10   6.512   1.626   7.997
   80   2HB   LYS  10          1HB       LYS  10   5.876   0.769   9.401
   81   1HG   LYS  10          2HG       LYS  10   5.669  -1.237   8.259
   82   2HG   LYS  10          1HG       LYS  10   5.477  -0.446   6.695
   83   1HD   LYS  10          2HD       LYS  10   7.648  -1.299   6.535
   84   2HD   LYS  10          1HD       LYS  10   7.945   0.347   7.095
   85   1HE   LYS  10          2HE       LYS  10   7.500  -1.718   9.204
   86   2HE   LYS  10          1HE       LYS  10   9.045  -1.768   8.333
   87   1HZ   LYS  10          1HZ       LYS  10   8.683  -0.149  10.364
   88   2HZ   LYS  10          2HZ       LYS  10   8.019   0.845   9.157
   89   3HZ   LYS  10          3HZ       LYS  10   9.625   0.305   9.028
   90    H    GLN  11           H        GLN  11   4.118   3.487   9.475
   91    HA   GLN  11           HA       GLN  11   3.166   2.356  11.909
   92   1HB   GLN  11          2HB       GLN  11   3.901   4.832  10.887
   93   2HB   GLN  11          1HB       GLN  11   2.191   5.047  11.264
   94   1HG   GLN  11          2HG       GLN  11   2.858   3.825  13.514
   95   2HG   GLN  11          1HG       GLN  11   4.470   4.415  13.105
   96   1HE2  GLN  11          1HE2      GLN  11   3.935   5.729  15.222
   97   2HE2  GLN  11          2HE2      GLN  11   3.176   7.229  14.993
   98    H    TYR  12           H        TYR  12   1.358   3.802   9.176
   99    HA   TYR  12           HA       TYR  12  -1.210   2.975  10.414
  100   1HB   TYR  12          2HB       TYR  12  -0.281   4.737   8.166
  101   2HB   TYR  12          1HB       TYR  12  -1.958   4.191   8.191
  102    HD1  TYR  12           HD1      TYR  12   0.354   6.603   9.438
  103    HD2  TYR  12           HD2      TYR  12  -3.250   4.492  10.439
  104    HE1  TYR  12           HE1      TYR  12  -0.184   8.327  11.137
  105    HE2  TYR  12           HE2      TYR  12  -3.789   6.217  12.138
  106    HH   TYR  12           HH       TYR  12  -2.225   9.204  12.282
  107    H    LYS  13           H        LYS  13   1.024   1.298   8.801
  108    HA   LYS  13           HA       LYS  13  -0.624   0.138   6.654
  109   1HB   LYS  13          2HB       LYS  13   2.144  -0.139   7.772
  110   2HB   LYS  13          1HB       LYS  13   1.514  -1.441   6.763
  111   1HG   LYS  13          2HG       LYS  13   0.901   0.345   5.054
  112   2HG   LYS  13          1HG       LYS  13   1.861   1.469   6.018
  113   1HD   LYS  13          2HD       LYS  13   3.693  -0.423   5.845
  114   2HD   LYS  13          1HD       LYS  13   2.762  -0.910   4.428
  115   1HE   LYS  13          2HE       LYS  13   2.909   1.533   3.661
  116   2HE   LYS  13          1HE       LYS  13   4.141   1.741   4.921
  117   1HZ   LYS  13          1HZ       LYS  13   5.033  -0.479   3.909
  118   2HZ   LYS  13          2HZ       LYS  13   5.435   1.010   3.196
  119   3HZ   LYS  13          3HZ       LYS  13   4.208   0.047   2.524
  120    H    HIS  14           H        HIS  14  -1.948  -0.157   9.128
  121    HA   HIS  14           HA       HIS  14  -1.343  -2.835  10.201
  122   1HB   HIS  14          2HB       HIS  14  -3.135  -0.520  10.784
  123   2HB   HIS  14          1HB       HIS  14  -3.659  -2.100  11.363
  124    HD1  HIS  14           HD1      HIS  14  -0.169  -0.554  11.215
  125    HD2  HIS  14           HD2      HIS  14  -2.806  -2.209  13.987
  126    HE1  HIS  14           HE1      HIS  14   1.061  -0.613  13.427
  127    H    TYR  15           H        TYR  15  -3.203  -1.484   7.671
  128    HA   TYR  15           HA       TYR  15  -5.148  -3.721   7.623
  129   1HB   TYR  15          2HB       TYR  15  -5.879  -2.420   5.514
  130   2HB   TYR  15          1HB       TYR  15  -6.075  -1.600   7.060
  131    HD1  TYR  15           HD1      TYR  15  -5.072   0.493   7.433
  132    HD2  TYR  15           HD2      TYR  15  -3.695  -1.979   4.204
  133    HE1  TYR  15           HE1      TYR  15  -3.629   2.345   6.633
  134    HE2  TYR  15           HE2      TYR  15  -2.246  -0.132   3.407
  135    HH   TYR  15           HH       TYR  15  -1.138   2.068   4.799
  136    H    CYS  16           H        CYS  16  -1.982  -3.168   6.631
  137    HA   CYS  16           HA       CYS  16  -2.057  -5.523   4.847
  138   1HB   CYS  16          2HB       CYS  16  -1.921  -2.730   3.954
  139   2HB   CYS  16          1HB       CYS  16  -0.611  -3.724   3.321
  140    H    ILE  17           H        ILE  17  -0.180  -6.674   5.144
  141    HA   ILE  17           HA       ILE  17   1.903  -5.610   6.907
  142    HB   ILE  17           HB       ILE  17   1.622  -8.192   5.335
  143   1HG1  ILE  17          2HG1      ILE  17  -0.184  -7.675   7.027
  144   2HG1  ILE  17          1HG1      ILE  17   0.746  -9.129   7.389
  145   1HG2  ILE  17          1HG2      ILE  17   3.659  -8.754   6.107
  146   2HG2  ILE  17          2HG2      ILE  17   3.159  -8.394   7.759
  147   3HG2  ILE  17          3HG2      ILE  17   3.838  -7.120   6.746
  148   1HD1  ILE  17          1HD1      ILE  17   2.159  -6.995   8.580
  149   2HD1  ILE  17          2HD1      ILE  17   1.234  -8.251   9.402
  150   3HD1  ILE  17          3HD1      ILE  17   0.460  -6.728   8.967
  151    H    LYS  18           H        LYS  18   2.304  -7.292   3.770
  152    HA   LYS  18           HA       LYS  18   4.584  -5.458   3.172
  153   1HB   LYS  18          2HB       LYS  18   5.281  -7.248   1.673
  154   2HB   LYS  18          1HB       LYS  18   4.855  -7.957   3.230
  155   1HG   LYS  18          2HG       LYS  18   2.458  -8.152   2.113
  156   2HG   LYS  18          1HG       LYS  18   3.395  -8.100   0.619
  157   1HD   LYS  18          2HD       LYS  18   3.810 -10.047   2.909
  158   2HD   LYS  18          1HD       LYS  18   3.091 -10.426   1.343
  159   1HE   LYS  18          2HE       LYS  18   5.166 -10.844   0.540
  160   2HE   LYS  18          1HE       LYS  18   5.590  -9.145   0.829
  161   1HZ   LYS  18          1HZ       LYS  18   5.676 -10.002   3.299
  162   2HZ   LYS  18          2HZ       LYS  18   7.025 -10.142   2.276
  163   3HZ   LYS  18          3HZ       LYS  18   6.016 -11.482   2.545
  164    H    GLY  19           H        GLY  19   2.678  -3.848   2.662
  165   1HA   GLY  19          2HA       GLY  19   2.342  -3.855  -0.259
  166   2HA   GLY  19          1HA       GLY  19   0.840  -3.940   0.662
  167    H    ARG  20           H        ARG  20   1.530  -1.744  -1.024
  168    HA   ARG  20           HA       ARG  20   2.121   0.432   0.951
  169   1HB   ARG  20          2HB       ARG  20   2.161   0.502  -2.081
  170   2HB   ARG  20          1HB       ARG  20   2.870   1.682  -0.978
  171   1HG   ARG  20          2HG       ARG  20   4.791   0.510  -1.113
  172   2HG   ARG  20          1HG       ARG  20   3.985  -0.765  -0.199
  173   1HD   ARG  20          2HD       ARG  20   3.650  -2.075  -2.065
  174   2HD   ARG  20          1HD       ARG  20   3.434  -0.673  -3.132
  175    HE   ARG  20           HE       ARG  20   6.045  -1.791  -2.264
  176   1HH1  ARG  20          1HH1      ARG  20   4.515  -0.740  -4.944
  177   2HH1  ARG  20          2HH1      ARG  20   5.693   0.432  -5.431
  178   1HH2  ARG  20          1HH2      ARG  20   7.446   0.300  -2.441
  179   2HH2  ARG  20          2HH2      ARG  20   7.353   1.021  -4.014
  180    H    CYS  21           H        CYS  21   0.564   2.050   1.248
  181    HA   CYS  21           HA       CYS  21  -2.010   1.702  -0.255
  182   1HB   CYS  21          2HB       CYS  21  -2.277   1.145   2.052
  183   2HB   CYS  21          1HB       CYS  21  -1.321   2.531   2.572
  184    H    ARG  22           H        ARG  22  -2.856   3.511  -1.267
  185    HA   ARG  22           HA       ARG  22  -1.291   6.056  -1.036
  186   1HB   ARG  22          2HB       ARG  22  -3.126   5.028  -3.229
  187   2HB   ARG  22          1HB       ARG  22  -2.096   6.458  -3.317
  188   1HG   ARG  22          2HG       ARG  22  -0.116   5.185  -3.360
  189   2HG   ARG  22          1HG       ARG  22  -0.915   3.754  -2.708
  190   1HD   ARG  22          2HD       ARG  22  -1.083   3.042  -4.863
  191   2HD   ARG  22          1HD       ARG  22  -2.320   4.298  -5.070
  192    HE   ARG  22           HE       ARG  22   0.518   5.127  -5.326
  193   1HH1  ARG  22          1HH2      ARG  22  -2.140   3.810  -7.010
  194   2HH1  ARG  22          2HH2      ARG  22  -1.980   4.855  -8.383
  195   1HH2  ARG  22          1HH1      ARG  22   0.567   6.745  -6.981
  196   2HH2  ARG  22          2HH1      ARG  22  -0.448   6.516  -8.367
  197    H    PHE  23           H        PHE  23  -2.400   7.243   0.532
  198    HA   PHE  23           HA       PHE  23  -5.369   7.278   0.510
  199   1HB   PHE  23          2HB       PHE  23  -3.667   7.090   2.521
  200   2HB   PHE  23          1HB       PHE  23  -3.597   8.846   2.363
  201    HD1  PHE  23           HD1      PHE  23  -6.140   9.840   1.841
  202    HD2  PHE  23           HD2      PHE  23  -5.150   6.357   4.156
  203    HE1  PHE  23           HE1      PHE  23  -8.291  10.040   3.061
  204    HE2  PHE  23           HE2      PHE  23  -7.301   6.558   5.374
  205    HZ   PHE  23           HZ       PHE  23  -8.871   8.398   4.827
  206    H    VAL  24           H        VAL  24  -6.260   8.747  -0.904
  207    HA   VAL  24           HA       VAL  24  -4.799  11.191  -1.676
  208    HB   VAL  24           HB       VAL  24  -7.619  10.333  -2.363
  209   1HG1  VAL  24          1HG1      VAL  24  -6.570  11.427  -4.598
  210   2HG1  VAL  24          2HG1      VAL  24  -5.635  12.298  -3.383
  211   3HG1  VAL  24          3HG1      VAL  24  -7.396  12.382  -3.367
  212   1HG2  VAL  24          1HG2      VAL  24  -6.155   9.450  -4.456
  213   2HG2  VAL  24          2HG2      VAL  24  -6.570   8.421  -3.085
  214   3HG2  VAL  24          3HG2      VAL  24  -4.987   9.196  -3.160
  215    H    VAL  25           H        VAL  25  -4.981  13.033  -0.478
  216    HA   VAL  25           HA       VAL  25  -6.931  13.318   1.659
  217    HB   VAL  25           HB       VAL  25  -5.096  15.370   0.385
  218   1HG1  VAL  25          1HG1      VAL  25  -6.941  15.453   2.565
  219   2HG1  VAL  25          2HG1      VAL  25  -5.827  16.714   2.034
  220   3HG1  VAL  25          3HG1      VAL  25  -5.311  15.529   3.234
  221   1HG2  VAL  25          1HG2      VAL  25  -4.552  12.954   1.994
  222   2HG2  VAL  25          2HG2      VAL  25  -3.798  14.424   2.610
  223   3HG2  VAL  25          3HG2      VAL  25  -3.466  13.887   0.964
  224    H    ALA  26           H        ALA  26  -6.340  15.401  -1.216
  225    HA   ALA  26           HA       ALA  26  -8.562  17.033  -1.167
  226   1HB   ALA  26          1HB       ALA  26  -8.395  16.271  -3.831
  227   2HB   ALA  26          2HB       ALA  26  -6.815  15.819  -3.193
  228   3HB   ALA  26          3HB       ALA  26  -7.376  17.485  -3.056
  229    H    GLU  27           H        GLU  27  -8.600  14.013  -3.086
  230    HA   GLU  27           HA       GLU  27 -11.546  13.840  -2.663
  231   1HB   GLU  27          2HB       GLU  27  -9.534  12.626  -4.571
  232   2HB   GLU  27          1HB       GLU  27 -11.186  12.015  -4.467
  233   1HG   GLU  27          2HG       GLU  27 -12.114  14.076  -5.177
  234   2HG   GLU  27          1HG       GLU  27 -10.614  14.952  -4.869
  235    H    GLN  28           H        GLN  28 -11.542  13.011  -0.500
  236    HA   GLN  28           HA       GLN  28 -10.078  11.188   0.853
  237   1HB   GLN  28          2HB       GLN  28 -13.034  11.548   0.498
  238   2HB   GLN  28          1HB       GLN  28 -12.457  10.235   1.525
  239   1HG   GLN  28          2HG       GLN  28 -10.899  12.429   2.277
  240   2HG   GLN  28          1HG       GLN  28 -12.517  13.098   2.058
  241   1HE2  GLN  28          1HE2      GLN  28 -11.100  10.073   3.460
  242   2HE2  GLN  28          2HE2      GLN  28 -12.082  10.089   4.844
  243    H    THR  29           H        THR  29  -8.947   9.708  -0.540
  244    HA   THR  29           HA       THR  29 -10.629   7.389  -1.418
  245    HB   THR  29           HB       THR  29  -8.424   8.780  -2.972
  246    HG1  THR  29           1HG      THR  29  -9.988   9.758  -3.974
  247   1HG2  THR  29          1HG2      THR  29  -8.211   6.632  -3.755
  248   2HG2  THR  29          2HG2      THR  29  -9.574   7.138  -4.754
  249   3HG2  THR  29          3HG2      THR  29  -9.855   6.189  -3.294
  250    HA   PRO  30           HA       PRO  30  -6.979   6.036   1.056
  251   1HB   PRO  30          2HB       PRO  30  -8.377   4.280   2.621
  252   2HB   PRO  30          1HB       PRO  30  -8.218   6.004   3.014
  253   1HG   PRO  30          2HG       PRO  30 -10.501   4.544   1.794
  254   2HG   PRO  30          1HG       PRO  30 -10.505   5.884   2.950
  255   1HD   PRO  30          2HD       PRO  30 -10.992   6.168   0.268
  256   2HD   PRO  30          1HD       PRO  30 -10.366   7.464   1.311
  257    H    SER  31           H        SER  31  -6.442   5.032  -1.087
  258    HA   SER  31           HA       SER  31  -7.649   2.395  -1.669
  259   1HB   SER  31          2HB       SER  31  -7.158   4.072  -3.429
  260   2HB   SER  31          1HB       SER  31  -5.450   4.008  -3.005
  261    HG   SER  31           HG       SER  31  -7.067   1.876  -3.964
  262    H    CYS  32           H        CYS  32  -6.502   0.431  -1.525
  263    HA   CYS  32           HA       CYS  32  -3.870   0.560  -0.088
  264   1HB   CYS  32          2HB       CYS  32  -5.462  -0.325   1.415
  265   2HB   CYS  32          1HB       CYS  32  -6.310  -1.201   0.141
  266    H    VAL  33           H        VAL  33  -2.236  -0.834  -0.847
  267    HA   VAL  33           HA       VAL  33  -2.862  -2.620  -3.153
  268    HB   VAL  33           HB       VAL  33  -0.857  -0.344  -3.053
  269   1HG1  VAL  33          1HG1      VAL  33   0.344  -2.009  -4.185
  270   2HG1  VAL  33          2HG1      VAL  33  -0.488  -1.185  -5.504
  271   3HG1  VAL  33          3HG1      VAL  33  -1.111  -2.716  -4.888
  272   1HG2  VAL  33          1HG2      VAL  33  -2.269  -0.096  -5.368
  273   2HG2  VAL  33          2HG2      VAL  33  -2.732   0.691  -3.858
  274   3HG2  VAL  33          3HG2      VAL  33  -3.490  -0.830  -4.329
  275    H    CYS  34           H        CYS  34  -1.242  -4.298  -3.425
  276    HA   CYS  34           HA       CYS  34   0.682  -4.527  -1.128
  277   1HB   CYS  34          2HB       CYS  34  -0.787  -6.783  -2.517
  278   2HB   CYS  34          1HB       CYS  34   0.085  -6.850  -0.986
  279    H    ASP  35           H        ASP  35   2.635  -5.772  -1.630
  280    HA   ASP  35           HA       ASP  35   3.947  -5.126  -4.027
  281   1HB   ASP  35          2HB       ASP  35   4.224  -7.187  -1.871
  282   2HB   ASP  35          1HB       ASP  35   5.252  -7.338  -3.297
  283    H    GLU  36           H        GLU  36   3.418  -5.745  -6.090
  284    HA   GLU  36           HA       GLU  36   1.537  -7.573  -6.956
  285   1HB   GLU  36          2HB       GLU  36   2.636  -6.109  -8.491
  286   2HB   GLU  36          1HB       GLU  36   4.225  -6.760  -8.085
  287   1HG   GLU  36          2HG       GLU  36   3.526  -7.682 -10.226
  288   2HG   GLU  36          1HG       GLU  36   3.504  -8.968  -9.020
  289    H    GLY  37           H        GLY  37   4.892  -8.288  -6.014
  290   1HA   GLY  37          2HA       GLY  37   4.514 -11.154  -6.625
  291   2HA   GLY  37          1HA       GLY  37   6.009 -10.406  -6.061
  292    H    TYR  38           H        TYR  38   2.722 -10.301  -4.672
  293    HA   TYR  38           HA       TYR  38   3.862 -11.558  -2.200
  294   1HB   TYR  38          2HB       TYR  38   2.968  -9.841  -0.936
  295   2HB   TYR  38          1HB       TYR  38   3.217  -8.961  -2.441
  296    HD1  TYR  38           HD1      TYR  38   0.938  -9.395   0.086
  297    HD2  TYR  38           HD2      TYR  38   1.121  -9.520  -4.205
  298    HE1  TYR  38           HE1      TYR  38  -1.497  -8.940  -0.036
  299    HE2  TYR  38           HE2      TYR  38  -1.310  -9.061  -4.323
  300    HH   TYR  38           HH       TYR  38  -3.092  -8.278  -3.090
  301    H    ILE  39           H        ILE  39   2.218 -12.701  -0.877
  302    HA   ILE  39           HA       ILE  39  -0.271 -13.465  -2.338
  303    HB   ILE  39           HB       ILE  39   1.664 -15.450  -1.114
  304   1HG1  ILE  39          2HG1      ILE  39   2.701 -14.196  -3.024
  305   2HG1  ILE  39          1HG1      ILE  39   2.470 -15.910  -3.365
  306   1HG2  ILE  39          1HG2      ILE  39   0.334 -17.103  -2.144
  307   2HG2  ILE  39          2HG2      ILE  39  -0.427 -15.940  -3.231
  308   3HG2  ILE  39          3HG2      ILE  39  -0.847 -15.952  -1.518
  309   1HD1  ILE  39          1HD1      ILE  39   1.556 -13.785  -4.929
  310   2HD1  ILE  39          2HD1      ILE  39   0.116 -14.348  -4.080
  311   3HD1  ILE  39          3HD1      ILE  39   1.054 -15.470  -5.066
  312    H    GLY  40           H        GLY  40  -1.865 -14.467  -0.874
  313   1HA   GLY  40          2HA       GLY  40  -2.422 -15.206   1.433
  314   2HA   GLY  40          1HA       GLY  40  -1.276 -14.001   2.023
  315    H    ALA  41           H        ALA  41  -3.696 -13.795   3.135
  316    HA   ALA  41           HA       ALA  41  -5.410 -11.961   1.568
  317   1HB   ALA  41          1HB       ALA  41  -6.880 -12.211   3.537
  318   2HB   ALA  41          2HB       ALA  41  -5.589 -13.050   4.397
  319   3HB   ALA  41          3HB       ALA  41  -6.326 -13.787   2.975
  320    H    ARG  42           H        ARG  42  -3.557 -11.888   4.636
  321    HA   ARG  42           HA       ARG  42  -3.926  -8.960   4.835
  322   1HB   ARG  42          2HB       ARG  42  -3.582 -11.138   6.580
  323   2HB   ARG  42          1HB       ARG  42  -2.098 -10.195   6.727
  324   1HG   ARG  42          2HG       ARG  42  -3.501  -8.142   7.050
  325   2HG   ARG  42          1HG       ARG  42  -4.932  -9.174   7.063
  326   1HD   ARG  42          2HD       ARG  42  -3.958 -10.438   8.994
  327   2HD   ARG  42          1HD       ARG  42  -2.614  -9.279   9.025
  328    HE   ARG  42           HE       ARG  42  -4.263  -7.494   9.491
  329   1HH1  ARG  42          1HH1      ARG  42  -6.076 -10.191   8.721
  330   2HH1  ARG  42          2HH1      ARG  42  -7.141 -10.092  10.083
  331   1HH2  ARG  42          1HH2      ARG  42  -5.322  -7.599  11.662
  332   2HH2  ARG  42          2HH2      ARG  42  -6.715  -8.625  11.747
  333    H    CYS  43           H        CYS  43  -2.148 -10.491   2.760
  334    HA   CYS  43           HA       CYS  43  -0.122  -9.993   1.648
  335   1HB   CYS  43          2HB       CYS  43   0.018  -7.647   3.556
  336   2HB   CYS  43          1HB       CYS  43   0.644  -7.741   1.912
  337    H    GLU  44           H        GLU  44  -0.081 -11.753   3.977
  338    HA   GLU  44           HA       GLU  44   2.440 -11.021   5.385
  339   1HB   GLU  44          2HB       GLU  44   1.777 -12.878   6.865
  340   2HB   GLU  44          1HB       GLU  44   0.426 -11.767   6.636
  341   1HG   GLU  44          2HG       GLU  44  -0.613 -13.228   5.035
  342   2HG   GLU  44          1HG       GLU  44   0.819 -14.258   4.961
  343    H    ARG  45           H        ARG  45   1.339 -12.939   2.758
  344    HA   ARG  45           HA       ARG  45   3.695 -14.767   2.936
  345   1HB   ARG  45          2HB       ARG  45   0.962 -14.996   2.183
  346   2HB   ARG  45          1HB       ARG  45   1.920 -15.261   0.726
  347   1HG   ARG  45          2HG       ARG  45   2.959 -16.595   3.149
  348   2HG   ARG  45          1HG       ARG  45   1.400 -17.197   2.583
  349   1HD   ARG  45          2HD       ARG  45   2.502 -17.264   0.230
  350   2HD   ARG  45          1HD       ARG  45   4.039 -17.156   1.114
  351    HE   ARG  45           HE       ARG  45   2.065 -19.372   1.366
  352   1HH1  ARG  45          1HH2      ARG  45   5.274 -18.705   0.952
  353   2HH1  ARG  45          2HH2      ARG  45   5.861 -19.747   2.204
  354   1HH2  ARG  45          1HH1      ARG  45   2.717 -20.369   3.525
  355   2HH2  ARG  45          2HH1      ARG  45   4.414 -20.688   3.661
  356    H    VAL  46           H        VAL  46   4.746 -15.203   0.721
  357    HA   VAL  46           HA       VAL  46   4.678 -12.872  -1.124
  358    HB   VAL  46           HB       VAL  46   6.305 -12.346   0.650
  359   1HG1  VAL  46          1HG1      VAL  46   8.054 -13.786   1.271
  360   2HG1  VAL  46          2HG1      VAL  46   7.923 -14.736  -0.210
  361   3HG1  VAL  46          3HG1      VAL  46   6.699 -14.893   1.050
  362   1HG2  VAL  46          1HG2      VAL  46   6.962 -11.469  -1.451
  363   2HG2  VAL  46          2HG2      VAL  46   7.369 -13.063  -2.083
  364   3HG2  VAL  46          3HG2      VAL  46   8.401 -12.306  -0.870
  365    H    ASP  47           H        ASP  47   5.540 -13.396  -3.216
  366    HA   ASP  47           HA       ASP  47   6.010 -16.328  -3.657
  367   1HB   ASP  47          2HB       ASP  47   4.133 -14.483  -4.699
  368   2HB   ASP  47          1HB       ASP  47   5.263 -14.825  -6.010
  369    H    LEU  48           H        LEU  48   8.351 -15.561  -3.091
  370    HA   LEU  48           HA       LEU  48   9.660 -14.398  -5.528
  371   1HB   LEU  48          2HB       LEU  48   9.819 -13.914  -2.670
  372   2HB   LEU  48          1HB       LEU  48  11.406 -14.327  -3.320
  373    HG   LEU  48           HG       LEU  48  10.858 -11.863  -3.405
  374   1HD1  LEU  48          1HD1      LEU  48  11.766 -13.596  -5.594
  375   2HD1  LEU  48          2HD1      LEU  48  12.487 -12.117  -4.959
  376   3HD1  LEU  48          3HD1      LEU  48  11.186 -12.025  -6.145
  377   1HD2  LEU  48          1HD2      LEU  48   9.187 -12.218  -5.800
  378   2HD2  LEU  48          2HD2      LEU  48   8.992 -11.098  -4.451
  379   3HD2  LEU  48          3HD2      LEU  48   8.408 -12.756  -4.312
  380    H    PHE  49           H        PHE  49  10.468 -16.109  -6.711
  381    HA   PHE  49           HA       PHE  49  11.082 -18.707  -5.769
  382   1HB   PHE  49          2HB       PHE  49  11.291 -17.135  -8.153
  383   2HB   PHE  49          1HB       PHE  49  12.820 -17.981  -7.922
  384    HD1  PHE  49           HD1      PHE  49   9.465 -19.114  -6.785
  385    HD2  PHE  49           HD2      PHE  49  12.665 -19.674  -9.597
  386    HE1  PHE  49           HE1      PHE  49   8.416 -21.224  -7.560
  387    HE2  PHE  49           HE2      PHE  49  11.616 -21.784 -10.370
  388    HZ   PHE  49           HZ       PHE  49   9.491 -22.559  -9.351
  389    H    TYR  50           H        TYR  50  12.816 -15.745  -5.361
  390    HA   TYR  50           HA       TYR  50  15.460 -16.929  -4.990
  391   1HB   TYR  50          2HB       TYR  50  14.813 -14.552  -5.710
  392   2HB   TYR  50          1HB       TYR  50  14.427 -14.257  -4.015
  393    HD1  TYR  50           HD1      TYR  50  16.136 -13.847  -2.414
  394    HD2  TYR  50           HD2      TYR  50  17.157 -15.313  -6.321
  395    HE1  TYR  50           HE1      TYR  50  18.538 -13.460  -1.933
  396    HE2  TYR  50           HE2      TYR  50  19.558 -14.925  -5.839
  397    HH   TYR  50           HH       TYR  50  21.016 -14.761  -3.787
  Start of MODEL   26
    1   1H    ARG   1          H1        ARG   1   2.577   6.950 -11.660
    2   2H    ARG   1          H2        ARG   1   1.895   7.822 -12.949
    3   3H    ARG   1          H3        ARG   1   1.553   8.264 -11.344
    4    HA   ARG   1           HA       ARG   1   4.372   8.250 -12.111
    5   1HB   ARG   1          2HB       ARG   1   3.904  10.579 -13.117
    6   2HB   ARG   1          1HB       ARG   1   3.450   9.187 -14.101
    7   1HG   ARG   1          2HG       ARG   1   1.309   9.868 -14.116
    8   2HG   ARG   1          1HG       ARG   1   1.267   9.818 -12.352
    9   1HD   ARG   1          2HD       ARG   1   1.847  12.088 -12.145
   10   2HD   ARG   1          1HD       ARG   1   2.550  12.153 -13.774
   11    HE   ARG   1           HE       ARG   1  -0.319  11.491 -13.671
   12   1HH1  ARG   1          1HH1      ARG   1  -0.046  14.258 -12.595
   13   2HH1  ARG   1          2HH1      ARG   1  -0.098  15.223 -14.032
   14   1HH2  ARG   1          1HH2      ARG   1   0.557  12.565 -16.160
   15   2HH2  ARG   1          2HH2      ARG   1   0.244  14.264 -16.049
   16    H    LYS   2           H        LYS   2   4.899   8.451  -9.911
   17    HA   LYS   2           HA       LYS   2   5.039   9.454  -7.772
   18   1HB   LYS   2          2HB       LYS   2   4.720  11.630  -9.818
   19   2HB   LYS   2          1HB       LYS   2   4.770  12.068  -8.110
   20   1HG   LYS   2          2HG       LYS   2   6.838  10.127  -8.847
   21   2HG   LYS   2          1HG       LYS   2   6.984  11.652  -9.722
   22   1HD   LYS   2          2HD       LYS   2   8.190  12.112  -7.775
   23   2HD   LYS   2          1HD       LYS   2   6.591  12.725  -7.356
   24   1HE   LYS   2          2HE       LYS   2   6.830   9.873  -6.764
   25   2HE   LYS   2          1HE       LYS   2   8.032  10.841  -5.888
   26   1HZ   LYS   2          1HZ       LYS   2   6.274  12.365  -5.227
   27   2HZ   LYS   2          2HZ       LYS   2   5.922  10.791  -4.694
   28   3HZ   LYS   2          3HZ       LYS   2   5.122  11.431  -6.050
   29    H    GLY   3           H        GLY   3   2.789  11.918  -8.853
   30   1HA   GLY   3          2HA       GLY   3   0.374  11.908  -8.504
   31   2HA   GLY   3          1HA       GLY   3   0.591  10.618  -7.320
   32    H    HIS   4           H        HIS   4  -0.554  13.498  -7.234
   33    HA   HIS   4           HA       HIS   4   1.182  14.725  -5.165
   34   1HB   HIS   4          2HB       HIS   4  -1.026  15.491  -6.986
   35   2HB   HIS   4          1HB       HIS   4  -1.035  16.303  -5.420
   36    HD1  HIS   4           HD1      HIS   4   1.300  17.505  -4.743
   37    HD2  HIS   4           HD2      HIS   4   0.866  16.489  -8.763
   38    HE1  HIS   4           HE1      HIS   4   3.049  18.828  -6.009
   39    H    PHE   5           H        PHE   5   0.066  12.244  -4.354
   40    HA   PHE   5           HA       PHE   5  -2.158  13.044  -2.510
   41   1HB   PHE   5          2HB       PHE   5  -1.186  10.303  -3.380
   42   2HB   PHE   5          1HB       PHE   5  -2.670  10.657  -2.496
   43    HD1  PHE   5           HD1      PHE   5  -4.437  12.121  -3.607
   44    HD2  PHE   5           HD2      PHE   5  -1.115  10.436  -5.746
   45    HE1  PHE   5           HE1      PHE   5  -5.627  12.494  -5.750
   46    HE2  PHE   5           HE2      PHE   5  -2.305  10.810  -7.889
   47    HZ   PHE   5           HZ       PHE   5  -4.561  11.839  -7.891
   48    H    SER   6           H        SER   6  -1.678  10.705  -0.815
   49    HA   SER   6           HA       SER   6   0.925  11.459   0.470
   50   1HB   SER   6          2HB       SER   6  -1.863  11.184   1.596
   51   2HB   SER   6          1HB       SER   6  -0.445  11.057   2.633
   52    HG   SER   6           HG       SER   6   0.021  13.128   2.272
   53    H    ARG   7           H        ARG   7   2.180   9.686   0.910
   54    HA   ARG   7           HA       ARG   7   1.122   6.989   0.383
   55   1HB   ARG   7          2HB       ARG   7   3.608   8.392   0.327
   56   2HB   ARG   7          1HB       ARG   7   3.788   7.037   1.441
   57   1HG   ARG   7          2HG       ARG   7   3.707   5.515  -0.231
   58   2HG   ARG   7          1HG       ARG   7   2.333   6.315  -0.996
   59   1HD   ARG   7          2HD       ARG   7   3.669   7.447  -2.458
   60   2HD   ARG   7          1HD       ARG   7   4.868   7.820  -1.204
   61    HE   ARG   7           HE       ARG   7   4.661   5.064  -2.352
   62   1HH1  ARG   7          1HH1      ARG   7   6.351   7.716  -3.194
   63   2HH1  ARG   7          2HH1      ARG   7   7.924   7.123  -2.775
   64   1HH2  ARG   7          1HH2      ARG   7   6.720   4.361  -1.060
   65   2HH2  ARG   7          2HH2      ARG   7   8.133   5.224  -1.566
   66    H    CYS   8           H        CYS   8   1.067   5.302   1.972
   67    HA   CYS   8           HA       CYS   8   0.629   6.249   4.737
   68   1HB   CYS   8          2HB       CYS   8  -0.327   4.207   2.984
   69   2HB   CYS   8          1HB       CYS   8   0.377   3.414   4.394
   70    HA   PRO   9           HA       PRO   9   4.824   4.991   5.678
   71   1HB   PRO   9          2HB       PRO   9   4.769   5.810   8.289
   72   2HB   PRO   9          1HB       PRO   9   5.000   6.929   6.930
   73   1HG   PRO   9          2HG       PRO   9   2.549   6.362   8.519
   74   2HG   PRO   9          1HG       PRO   9   3.142   7.895   7.862
   75   1HD   PRO   9          2HD       PRO   9   1.137   6.432   6.720
   76   2HD   PRO   9          1HD       PRO   9   2.198   7.531   5.812
   77    H    LYS  10           H        LYS  10   5.752   3.602   7.575
   78    HA   LYS  10           HA       LYS  10   4.267   1.149   7.767
   79   1HB   LYS  10          2HB       LYS  10   6.637   2.238   9.320
   80   2HB   LYS  10          1HB       LYS  10   6.145   0.545   9.289
   81   1HG   LYS  10          2HG       LYS  10   6.557   0.400   6.910
   82   2HG   LYS  10          1HG       LYS  10   6.852   2.137   6.810
   83   1HD   LYS  10          2HD       LYS  10   8.907   1.984   7.935
   84   2HD   LYS  10          1HD       LYS  10   8.507   0.421   8.648
   85   1HE   LYS  10          2HE       LYS  10   8.460   0.325   5.723
   86   2HE   LYS  10          1HE       LYS  10  10.050   0.789   6.361
   87   1HZ   LYS  10          1HZ       LYS  10  10.155  -1.478   6.581
   88   2HZ   LYS  10          2HZ       LYS  10   8.488  -1.649   6.862
   89   3HZ   LYS  10          3HZ       LYS  10   9.504  -1.066   8.092
   90    H    GLN  11           H        GLN  11   4.402   4.010   9.788
   91    HA   GLN  11           HA       GLN  11   3.469   2.878  12.251
   92   1HB   GLN  11          2HB       GLN  11   3.489   5.576  10.923
   93   2HB   GLN  11          1HB       GLN  11   2.629   5.367  12.449
   94   1HG   GLN  11          2HG       GLN  11   5.228   4.097  12.574
   95   2HG   GLN  11          1HG       GLN  11   5.391   5.792  12.114
   96   1HE2  GLN  11          1HE2      GLN  11   6.105   4.590  14.742
   97   2HE2  GLN  11          2HE2      GLN  11   5.155   5.389  15.898
   98    H    TYR  12           H        TYR  12   1.898   3.245   9.242
   99    HA   TYR  12           HA       TYR  12  -0.770   2.880  10.570
  100   1HB   TYR  12          2HB       TYR  12   0.190   4.698   8.391
  101   2HB   TYR  12          1HB       TYR  12  -1.464   4.094   8.300
  102    HD1  TYR  12           HD1      TYR  12   0.499   6.714   9.506
  103    HD2  TYR  12           HD2      TYR  12  -2.722   4.135  10.704
  104    HE1  TYR  12           HE1      TYR  12  -0.206   8.382  11.202
  105    HE2  TYR  12           HE2      TYR  12  -3.426   5.804  12.399
  106    HH   TYR  12           HH       TYR  12  -2.154   9.003  12.468
  107    H    LYS  13           H        LYS  13   1.493   1.234   8.977
  108    HA   LYS  13           HA       LYS  13  -0.125   0.068   6.807
  109   1HB   LYS  13          2HB       LYS  13   2.651  -0.112   7.903
  110   2HB   LYS  13          1HB       LYS  13   2.063  -1.470   6.943
  111   1HG   LYS  13          2HG       LYS  13   1.432   0.137   5.135
  112   2HG   LYS  13          1HG       LYS  13   2.166   1.433   6.080
  113   1HD   LYS  13          2HD       LYS  13   4.122  -0.553   6.037
  114   2HD   LYS  13          1HD       LYS  13   3.448  -0.581   4.407
  115   1HE   LYS  13          2HE       LYS  13   3.819   1.844   4.185
  116   2HE   LYS  13          1HE       LYS  13   4.461   1.902   5.839
  117   1HZ   LYS  13          1HZ       LYS  13   5.653   0.782   3.429
  118   2HZ   LYS  13          2HZ       LYS  13   5.863  -0.119   4.854
  119   3HZ   LYS  13          3HZ       LYS  13   6.401   1.491   4.777
  120    H    HIS  14           H        HIS  14  -1.429  -0.278   9.293
  121    HA   HIS  14           HA       HIS  14  -0.778  -2.967  10.319
  122   1HB   HIS  14          2HB       HIS  14  -2.773  -0.780  10.903
  123   2HB   HIS  14          1HB       HIS  14  -2.954  -2.372  11.640
  124    HD1  HIS  14           HD1      HIS  14  -1.974   0.537  12.922
  125    HD2  HIS  14           HD2      HIS  14   0.277  -2.912  12.274
  126    HE1  HIS  14           HE1      HIS  14   0.003   0.665  14.500
  127    H    TYR  15           H        TYR  15  -2.684  -1.583   7.842
  128    HA   TYR  15           HA       TYR  15  -4.618  -3.824   7.753
  129   1HB   TYR  15          2HB       TYR  15  -5.375  -2.479   5.698
  130   2HB   TYR  15          1HB       TYR  15  -5.498  -1.651   7.248
  131    HD1  TYR  15           HD1      TYR  15  -4.561   0.471   7.472
  132    HD2  TYR  15           HD2      TYR  15  -3.064  -2.176   4.438
  133    HE1  TYR  15           HE1      TYR  15  -3.072   2.270   6.637
  134    HE2  TYR  15           HE2      TYR  15  -1.575  -0.376   3.603
  135    HH   TYR  15           HH       TYR  15  -0.855   2.362   5.336
  136    H    CYS  16           H        CYS  16  -1.446  -3.351   6.849
  137    HA   CYS  16           HA       CYS  16  -1.524  -5.617   4.971
  138   1HB   CYS  16          2HB       CYS  16  -1.179  -2.753   4.182
  139   2HB   CYS  16          1HB       CYS  16  -0.186  -3.952   3.351
  140    H    ILE  17           H        ILE  17   0.337  -6.780   5.347
  141    HA   ILE  17           HA       ILE  17   2.474  -5.568   6.988
  142    HB   ILE  17           HB       ILE  17   2.371  -8.351   5.814
  143   1HG1  ILE  17          2HG1      ILE  17   0.859  -7.235   8.194
  144   2HG1  ILE  17          1HG1      ILE  17   0.173  -8.012   6.767
  145   1HG2  ILE  17          1HG2      ILE  17   4.412  -7.700   7.017
  146   2HG2  ILE  17          2HG2      ILE  17   3.514  -8.903   7.942
  147   3HG2  ILE  17          3HG2      ILE  17   3.446  -7.204   8.407
  148   1HD1  ILE  17          1HD1      ILE  17   1.746 -10.015   7.502
  149   2HD1  ILE  17          2HD1      ILE  17   0.164  -9.794   8.250
  150   3HD1  ILE  17          3HD1      ILE  17   1.618  -9.243   9.083
  151    H    LYS  18           H        LYS  18   2.530  -7.548   3.984
  152    HA   LYS  18           HA       LYS  18   4.995  -6.061   3.177
  153   1HB   LYS  18          2HB       LYS  18   5.105  -8.040   1.525
  154   2HB   LYS  18          1HB       LYS  18   5.338  -8.412   3.231
  155   1HG   LYS  18          2HG       LYS  18   2.524  -8.473   2.389
  156   2HG   LYS  18          1HG       LYS  18   3.530  -9.668   1.577
  157   1HD   LYS  18          2HD       LYS  18   3.422  -9.264   4.580
  158   2HD   LYS  18          1HD       LYS  18   2.569 -10.536   3.706
  159   1HE   LYS  18          2HE       LYS  18   4.500 -11.734   3.297
  160   2HE   LYS  18          1HE       LYS  18   5.506 -10.274   3.212
  161   1HZ   LYS  18          1HZ       LYS  18   5.461 -10.020   5.523
  162   2HZ   LYS  18          2HZ       LYS  18   5.721 -11.683   5.299
  163   3HZ   LYS  18          3HZ       LYS  18   4.178 -11.112   5.719
  164    H    GLY  19           H        GLY  19   3.041  -4.374   2.756
  165   1HA   GLY  19          2HA       GLY  19   2.775  -4.256  -0.154
  166   2HA   GLY  19          1HA       GLY  19   1.237  -4.462   0.687
  167    H    ARG  20           H        ARG  20   1.803  -2.130  -0.805
  168    HA   ARG  20           HA       ARG  20   2.344  -0.068   1.298
  169   1HB   ARG  20          2HB       ARG  20   3.190  -0.472  -1.374
  170   2HB   ARG  20          1HB       ARG  20   2.110   0.922  -1.409
  171   1HG   ARG  20          2HG       ARG  20   3.573   2.228  -0.274
  172   2HG   ARG  20          1HG       ARG  20   3.963   0.942   0.869
  173   1HD   ARG  20          2HD       ARG  20   5.995   1.015  -0.222
  174   2HD   ARG  20          1HD       ARG  20   5.154  -0.044  -1.372
  175    HE   ARG  20           HE       ARG  20   5.568   2.884  -1.718
  176   1HH1  ARG  20          1HH1      ARG  20   6.235   0.311  -3.462
  177   2HH1  ARG  20          2HH1      ARG  20   5.180   0.617  -4.802
  178   1HH2  ARG  20          1HH2      ARG  20   3.387   3.095  -3.165
  179   2HH2  ARG  20          2HH2      ARG  20   3.568   2.193  -4.634
  180    H    CYS  21           H        CYS  21   0.994   2.071   0.606
  181    HA   CYS  21           HA       CYS  21  -1.711   1.479  -0.383
  182   1HB   CYS  21          2HB       CYS  21  -1.938   0.621   1.834
  183   2HB   CYS  21          1HB       CYS  21  -1.047   1.975   2.526
  184    H    ARG  22           H        ARG  22  -2.366   3.305  -1.424
  185    HA   ARG  22           HA       ARG  22  -1.071   5.905  -0.714
  186   1HB   ARG  22          2HB       ARG  22  -2.630   5.018  -3.166
  187   2HB   ARG  22          1HB       ARG  22  -1.722   6.521  -3.004
  188   1HG   ARG  22          2HG       ARG  22   0.334   5.456  -3.125
  189   2HG   ARG  22          1HG       ARG  22  -0.301   3.933  -2.501
  190   1HD   ARG  22          2HD       ARG  22   0.211   3.737  -4.917
  191   2HD   ARG  22          1HD       ARG  22  -1.538   3.601  -4.648
  192    HE   ARG  22           HE       ARG  22  -0.418   6.299  -5.209
  193   1HH1  ARG  22          1HH1      ARG  22  -3.370   5.599  -5.203
  194   2HH1  ARG  22          2HH1      ARG  22  -3.702   5.503  -6.901
  195   1HH2  ARG  22          1HH2      ARG  22  -0.363   5.295  -7.811
  196   2HH2  ARG  22          2HH2      ARG  22  -2.000   5.332  -8.376
  197    H    PHE  23           H        PHE  23  -2.340   7.143   0.629
  198    HA   PHE  23           HA       PHE  23  -5.303   6.830   0.515
  199   1HB   PHE  23          2HB       PHE  23  -3.705   6.755   2.605
  200   2HB   PHE  23          1HB       PHE  23  -3.768   8.513   2.477
  201    HD1  PHE  23           HD1      PHE  23  -6.348   9.318   1.841
  202    HD2  PHE  23           HD2      PHE  23  -5.212   5.871   4.138
  203    HE1  PHE  23           HE1      PHE  23  -8.569   9.320   2.942
  204    HE2  PHE  23           HE2      PHE  23  -7.433   5.873   5.240
  205    HZ   PHE  23           HZ       PHE  23  -9.113   7.599   4.643
  206    H    VAL  24           H        VAL  24  -6.329   8.261  -0.828
  207    HA   VAL  24           HA       VAL  24  -5.069  10.834  -1.537
  208    HB   VAL  24           HB       VAL  24  -7.590   9.354  -2.323
  209   1HG1  VAL  24          1HG1      VAL  24  -6.610  12.107  -3.057
  210   2HG1  VAL  24          2HG1      VAL  24  -8.235  11.603  -2.595
  211   3HG1  VAL  24          3HG1      VAL  24  -7.596  11.173  -4.181
  212   1HG2  VAL  24          1HG2      VAL  24  -4.849   9.325  -3.183
  213   2HG2  VAL  24          2HG2      VAL  24  -5.849   9.956  -4.493
  214   3HG2  VAL  24          3HG2      VAL  24  -6.200   8.373  -3.800
  215    H    VAL  25           H        VAL  25  -5.356  12.524  -0.147
  216    HA   VAL  25           HA       VAL  25  -7.482  12.611   1.835
  217    HB   VAL  25           HB       VAL  25  -5.637  14.823   0.896
  218   1HG1  VAL  25          1HG1      VAL  25  -5.863  14.811   3.674
  219   2HG1  VAL  25          2HG1      VAL  25  -7.490  14.421   3.116
  220   3HG1  VAL  25          3HG1      VAL  25  -6.702  15.902   2.571
  221   1HG2  VAL  25          1HG2      VAL  25  -4.512  13.545   3.129
  222   2HG2  VAL  25          2HG2      VAL  25  -3.914  13.479   1.471
  223   3HG2  VAL  25          3HG2      VAL  25  -5.011  12.232   2.062
  224    H    ALA  26           H        ALA  26  -6.695  14.888  -0.838
  225    HA   ALA  26           HA       ALA  26  -8.930  16.500  -0.868
  226   1HB   ALA  26          1HB       ALA  26  -7.719  15.158  -3.307
  227   2HB   ALA  26          2HB       ALA  26  -6.954  16.488  -2.437
  228   3HB   ALA  26          3HB       ALA  26  -8.497  16.740  -3.252
  229    H    GLU  27           H        GLU  27  -8.764  13.520  -2.852
  230    HA   GLU  27           HA       GLU  27 -11.741  13.352  -2.752
  231   1HB   GLU  27          2HB       GLU  27 -10.021  13.216  -4.826
  232   2HB   GLU  27          1HB       GLU  27 -10.038  11.511  -4.374
  233   1HG   GLU  27          2HG       GLU  27 -12.598  13.072  -4.719
  234   2HG   GLU  27          1HG       GLU  27 -11.804  12.292  -6.087
  235    H    GLN  28           H        GLN  28 -11.979  12.444  -0.642
  236    HA   GLN  28           HA       GLN  28 -10.636  10.585   0.796
  237   1HB   GLN  28          2HB       GLN  28 -12.885   9.752   1.520
  238   2HB   GLN  28          1HB       GLN  28 -12.803  11.511   1.419
  239   1HG   GLN  28          2HG       GLN  28 -14.350  11.590  -0.227
  240   2HG   GLN  28          1HG       GLN  28 -13.582  10.277  -1.118
  241   1HE2  GLN  28          1HE2      GLN  28 -16.458  11.008   0.311
  242   2HE2  GLN  28          2HE2      GLN  28 -16.950   9.459   0.801
  243    H    THR  29           H        THR  29  -9.373   9.150  -0.532
  244    HA   THR  29           HA       THR  29 -10.913   6.777  -1.475
  245    HB   THR  29           HB       THR  29  -9.053   8.527  -3.096
  246    HG1  THR  29           1HG      THR  29 -10.932   9.127  -3.773
  247   1HG2  THR  29          1HG2      THR  29  -9.597   6.586  -4.835
  248   2HG2  THR  29          2HG2      THR  29  -9.687   5.621  -3.362
  249   3HG2  THR  29          3HG2      THR  29  -8.202   6.485  -3.760
  250    HA   PRO  30           HA       PRO  30  -7.115   5.636   0.829
  251   1HB   PRO  30          2HB       PRO  30  -8.304   3.669   2.306
  252   2HB   PRO  30          1HB       PRO  30  -8.328   5.378   2.782
  253   1HG   PRO  30          2HG       PRO  30 -10.456   3.731   1.533
  254   2HG   PRO  30          1HG       PRO  30 -10.586   5.043   2.713
  255   1HD   PRO  30          2HD       PRO  30 -11.101   5.297   0.014
  256   2HD   PRO  30          1HD       PRO  30 -10.691   6.641   1.100
  257    H    SER  31           H        SER  31  -6.124   4.649  -1.003
  258    HA   SER  31           HA       SER  31  -7.170   1.999  -1.889
  259   1HB   SER  31          2HB       SER  31  -5.347   4.125  -2.988
  260   2HB   SER  31          1HB       SER  31  -5.253   2.489  -3.630
  261    HG   SER  31           HG       SER  31  -7.703   2.791  -3.702
  262    H    CYS  32           H        CYS  32  -5.981   0.121  -1.523
  263    HA   CYS  32           HA       CYS  32  -3.377   0.442  -0.063
  264   1HB   CYS  32          2HB       CYS  32  -4.088  -1.687   1.075
  265   2HB   CYS  32          1HB       CYS  32  -5.177  -0.334   1.379
  266    H    VAL  33           H        VAL  33  -1.791  -0.113  -1.523
  267    HA   VAL  33           HA       VAL  33  -2.293  -2.245  -3.529
  268    HB   VAL  33           HB       VAL  33   0.055  -0.387  -3.019
  269   1HG1  VAL  33          1HG1      VAL  33   1.130  -1.647  -4.543
  270   2HG1  VAL  33          2HG1      VAL  33  -0.103  -1.200  -5.722
  271   3HG1  VAL  33          3HG1      VAL  33  -0.294  -2.664  -4.760
  272   1HG2  VAL  33          1HG2      VAL  33  -0.865   0.927  -4.875
  273   2HG2  VAL  33          2HG2      VAL  33  -2.069   0.775  -3.596
  274   3HG2  VAL  33          3HG2      VAL  33  -2.194  -0.217  -5.049
  275    H    CYS  34           H        CYS  34  -0.824  -4.088  -3.680
  276    HA   CYS  34           HA       CYS  34   0.675  -4.663  -1.143
  277   1HB   CYS  34          2HB       CYS  34  -0.808  -6.695  -2.822
  278   2HB   CYS  34          1HB       CYS  34  -0.254  -6.858  -1.158
  279    H    ASP  35           H        ASP  35   2.514  -6.135  -1.439
  280    HA   ASP  35           HA       ASP  35   4.233  -5.601  -3.576
  281   1HB   ASP  35          2HB       ASP  35   3.894  -7.673  -1.490
  282   2HB   ASP  35          1HB       ASP  35   4.899  -8.160  -2.856
  283    H    GLU  36           H        GLU  36   4.121  -6.113  -5.730
  284    HA   GLU  36           HA       GLU  36   2.052  -7.462  -7.024
  285   1HB   GLU  36          2HB       GLU  36   4.862  -6.710  -7.569
  286   2HB   GLU  36          1HB       GLU  36   4.209  -7.961  -8.627
  287   1HG   GLU  36          2HG       GLU  36   2.129  -6.172  -8.535
  288   2HG   GLU  36          1HG       GLU  36   3.527  -5.100  -8.464
  289    H    GLY  37           H        GLY  37   5.167  -8.864  -5.946
  290   1HA   GLY  37          2HA       GLY  37   4.190 -11.573  -6.612
  291   2HA   GLY  37          1HA       GLY  37   5.814 -11.170  -6.054
  292    H    TYR  38           H        TYR  38   2.628 -10.414  -4.628
  293    HA   TYR  38           HA       TYR  38   3.581 -11.766  -2.129
  294   1HB   TYR  38          2HB       TYR  38   2.726  -9.972  -0.956
  295   2HB   TYR  38          1HB       TYR  38   3.038  -9.156  -2.482
  296    HD1  TYR  38           HD1      TYR  38   0.709  -9.343  -0.001
  297    HD2  TYR  38           HD2      TYR  38   0.944  -9.778  -4.269
  298    HE1  TYR  38           HE1      TYR  38  -1.704  -8.805  -0.192
  299    HE2  TYR  38           HE2      TYR  38  -1.466  -9.238  -4.457
  300    HH   TYR  38           HH       TYR  38  -3.161  -7.768  -2.714
  301    H    ILE  39           H        ILE  39   1.554 -12.415  -0.725
  302    HA   ILE  39           HA       ILE  39  -0.686 -13.427  -2.411
  303    HB   ILE  39           HB       ILE  39   1.198 -15.059  -0.679
  304   1HG1  ILE  39          2HG1      ILE  39   0.987 -16.287  -3.121
  305   2HG1  ILE  39          1HG1      ILE  39   0.846 -14.587  -3.575
  306   1HG2  ILE  39          1HG2      ILE  39  -0.280 -16.813  -0.690
  307   2HG2  ILE  39          2HG2      ILE  39  -0.974 -16.355  -2.246
  308   3HG2  ILE  39          3HG2      ILE  39  -1.462 -15.508  -0.777
  309   1HD1  ILE  39          1HD1      ILE  39   3.223 -15.940  -3.075
  310   2HD1  ILE  39          2HD1      ILE  39   2.942 -15.035  -1.588
  311   3HD1  ILE  39          3HD1      ILE  39   3.026 -14.188  -3.133
  312    H    GLY  40           H        GLY  40  -2.599 -13.150  -1.310
  313   1HA   GLY  40          2HA       GLY  40  -3.810 -13.617   0.854
  314   2HA   GLY  40          1HA       GLY  40  -2.451 -12.837   1.664
  315    H    ALA  41           H        ALA  41  -5.231 -12.010   1.830
  316    HA   ALA  41           HA       ALA  41  -5.617  -9.663   0.138
  317   1HB   ALA  41          1HB       ALA  41  -7.491 -10.947   1.009
  318   2HB   ALA  41          2HB       ALA  41  -7.542  -9.340   1.733
  319   3HB   ALA  41          3HB       ALA  41  -6.933 -10.708   2.664
  320    H    ARG  42           H        ARG  42  -4.599 -10.235   3.511
  321    HA   ARG  42           HA       ARG  42  -4.183  -7.340   3.957
  322   1HB   ARG  42          2HB       ARG  42  -3.573  -9.741   5.711
  323   2HB   ARG  42          1HB       ARG  42  -3.755  -8.066   6.236
  324   1HG   ARG  42          2HG       ARG  42  -6.119  -8.143   5.324
  325   2HG   ARG  42          1HG       ARG  42  -5.901  -9.879   5.106
  326   1HD   ARG  42          2HD       ARG  42  -6.555 -10.126   7.266
  327   2HD   ARG  42          1HD       ARG  42  -5.030  -9.349   7.738
  328    HE   ARG  42           HE       ARG  42  -6.850  -7.313   6.925
  329   1HH1  ARG  42          1HH2      ARG  42  -8.381  -9.434   8.680
  330   2HH1  ARG  42          2HH2      ARG  42  -8.324  -8.625  10.211
  331   1HH2  ARG  42          1HH1      ARG  42  -5.906  -6.347   9.216
  332   2HH2  ARG  42          2HH1      ARG  42  -6.923  -6.878  10.514
  333    H    CYS  43           H        CYS  43  -2.495  -9.542   2.271
  334    HA   CYS  43           HA       CYS  43  -0.233  -9.636   1.587
  335   1HB   CYS  43          2HB       CYS  43   0.144  -7.207   3.351
  336   2HB   CYS  43          1HB       CYS  43   0.990  -7.606   1.860
  337    H    GLU  44           H        GLU  44  -0.373 -11.573   3.193
  338    HA   GLU  44           HA       GLU  44   1.460 -11.074   5.518
  339   1HB   GLU  44          2HB       GLU  44   0.233 -13.149   6.418
  340   2HB   GLU  44          1HB       GLU  44  -0.712 -11.664   6.308
  341   1HG   GLU  44          2HG       GLU  44  -1.787 -12.382   4.299
  342   2HG   GLU  44          1HG       GLU  44  -0.651 -13.714   4.086
  343    H    ARG  45           H        ARG  45   0.799 -13.037   2.682
  344    HA   ARG  45           HA       ARG  45   3.181 -14.742   3.331
  345   1HB   ARG  45          2HB       ARG  45   0.514 -15.240   2.393
  346   2HB   ARG  45          1HB       ARG  45   1.651 -15.740   1.141
  347   1HG   ARG  45          2HG       ARG  45   2.610 -16.537   3.756
  348   2HG   ARG  45          1HG       ARG  45   0.985 -17.162   3.474
  349   1HD   ARG  45          2HD       ARG  45   2.193 -17.630   1.040
  350   2HD   ARG  45          1HD       ARG  45   3.519 -17.923   2.183
  351    HE   ARG  45           HE       ARG  45   2.355 -19.860   2.843
  352   1HH1  ARG  45          1HH1      ARG  45   0.262 -17.689   1.206
  353   2HH1  ARG  45          2HH1      ARG  45  -1.185 -18.536   1.641
  354   1HH2  ARG  45          1HH2      ARG  45   0.453 -20.864   3.620
  355   2HH2  ARG  45          2HH2      ARG  45  -1.078 -20.332   3.007
  356    H    VAL  46           H        VAL  46   4.810 -13.367   2.440
  357    HA   VAL  46           HA       VAL  46   4.509 -12.374  -0.330
  358    HB   VAL  46           HB       VAL  46   5.494 -11.025   1.516
  359   1HG1  VAL  46          1HG1      VAL  46   8.086 -12.272   1.585
  360   2HG1  VAL  46          2HG1      VAL  46   6.861 -13.460   2.032
  361   3HG1  VAL  46          3HG1      VAL  46   6.988 -11.945   2.926
  362   1HG2  VAL  46          1HG2      VAL  46   6.314 -11.145  -1.062
  363   2HG2  VAL  46          2HG2      VAL  46   7.833 -11.521  -0.248
  364   3HG2  VAL  46          3HG2      VAL  46   6.993 -10.012   0.106
  365    H    ASP  47           H        ASP  47   6.025 -12.982  -2.017
  366    HA   ASP  47           HA       ASP  47   7.242 -15.691  -1.592
  367   1HB   ASP  47          2HB       ASP  47   5.324 -14.754  -3.388
  368   2HB   ASP  47          1HB       ASP  47   6.805 -14.808  -4.344
  369    H    LEU  48           H        LEU  48   8.790 -13.492  -0.817
  370    HA   LEU  48           HA       LEU  48  10.973 -13.614  -2.828
  371   1HB   LEU  48          2HB       LEU  48   9.171 -11.518  -2.760
  372   2HB   LEU  48          1HB       LEU  48  10.496 -10.913  -1.764
  373    HG   LEU  48           HG       LEU  48  10.775 -12.050  -4.561
  374   1HD1  LEU  48          1HD1      LEU  48  11.682  -9.464  -4.616
  375   2HD1  LEU  48          2HD1      LEU  48  10.339  -9.338  -3.480
  376   3HD1  LEU  48          3HD1      LEU  48  10.063  -9.960  -5.108
  377   1HD2  LEU  48          1HD2      LEU  48  13.081 -11.706  -4.369
  378   2HD2  LEU  48          2HD2      LEU  48  12.674 -12.277  -2.751
  379   3HD2  LEU  48          3HD2      LEU  48  12.899 -10.553  -3.048
  380    H    PHE  49           H        PHE  49  10.762 -14.810  -0.223
  381    HA   PHE  49           HA       PHE  49  11.952 -13.245   1.862
  382   1HB   PHE  49          2HB       PHE  49  10.972 -15.846   1.423
  383   2HB   PHE  49          1HB       PHE  49  12.653 -16.065   1.909
  384    HD1  PHE  49           HD1      PHE  49   9.721 -13.905   2.843
  385    HD2  PHE  49           HD2      PHE  49  13.069 -16.236   4.189
  386    HE1  PHE  49           HE1      PHE  49   9.105 -13.430   5.198
  387    HE2  PHE  49           HE2      PHE  49  12.453 -15.759   6.544
  388    HZ   PHE  49           HZ       PHE  49  10.471 -14.357   7.048
  389    H    TYR  50           H        TYR  50  13.463 -15.690  -0.292
  390    HA   TYR  50           HA       TYR  50  16.161 -14.867   0.500
  391   1HB   TYR  50          2HB       TYR  50  15.322 -17.194  -0.137
  392   2HB   TYR  50          1HB       TYR  50  15.283 -16.625  -1.806
  393    HD1  TYR  50           HD1      TYR  50  17.457 -17.396   1.078
  394    HD2  TYR  50           HD2      TYR  50  17.325 -16.176  -3.038
  395    HE1  TYR  50           HE1      TYR  50  19.893 -17.822   0.873
  396    HE2  TYR  50           HE2      TYR  50  19.759 -16.602  -3.243
  397    HH   TYR  50           HH       TYR  50  21.525 -17.691  -2.229
  Start of MODEL   27
    1   1H    ARG   1          H1        ARG   1  11.198  10.272  -9.204
    2   2H    ARG   1          H2        ARG   1   9.587  10.249  -8.665
    3   3H    ARG   1          H3        ARG   1  10.230  11.655  -9.368
    4    HA   ARG   1           HA       ARG   1  10.528  10.395 -11.485
    5   1HB   ARG   1          2HB       ARG   1  10.205   8.299  -9.727
    6   2HB   ARG   1          1HB       ARG   1   8.629   8.355 -10.519
    7   1HG   ARG   1          2HG       ARG   1   9.718   8.275 -12.723
    8   2HG   ARG   1          1HG       ARG   1  11.302   8.247 -11.947
    9   1HD   ARG   1          2HD       ARG   1   9.143   6.119 -11.770
   10   2HD   ARG   1          1HD       ARG   1  10.770   5.953 -12.458
   11    HE   ARG   1           HE       ARG   1  10.222   6.405  -9.550
   12   1HH1  ARG   1          1HH2      ARG   1  12.936   7.246 -10.232
   13   2HH1  ARG   1          2HH2      ARG   1  13.859   5.787 -10.091
   14   1HH2  ARG   1          1HH1      ARG   1  11.087   3.707 -10.204
   15   2HH2  ARG   1          2HH1      ARG   1  12.813   3.783 -10.073
   16    H    LYS   2           H        LYS   2   7.602  10.091  -9.423
   17    HA   LYS   2           HA       LYS   2   6.193  11.962 -11.278
   18   1HB   LYS   2          2HB       LYS   2   5.770   9.081 -10.843
   19   2HB   LYS   2          1HB       LYS   2   4.299  10.041 -10.683
   20   1HG   LYS   2          2HG       LYS   2   4.184  10.345 -12.910
   21   2HG   LYS   2          1HG       LYS   2   5.841  10.945 -12.958
   22   1HD   LYS   2          2HD       LYS   2   6.503   9.027 -13.923
   23   2HD   LYS   2          1HD       LYS   2   5.959   8.134 -12.503
   24   1HE   LYS   2          2HE       LYS   2   4.433   7.170 -13.895
   25   2HE   LYS   2          1HE       LYS   2   3.585   8.729 -13.846
   26   1HZ   LYS   2          1HZ       LYS   2   4.138   8.095 -16.127
   27   2HZ   LYS   2          2HZ       LYS   2   5.786   8.025 -15.717
   28   3HZ   LYS   2          3HZ       LYS   2   4.957   9.508 -15.669
   29    H    GLY   3           H        GLY   3   4.563  13.183 -10.228
   30   1HA   GLY   3          2HA       GLY   3   4.546  12.934  -7.256
   31   2HA   GLY   3          1HA       GLY   3   4.161  14.408  -8.147
   32    H    HIS   4           H        HIS   4   2.820  11.750  -6.568
   33    HA   HIS   4           HA       HIS   4   0.188  12.173  -7.932
   34   1HB   HIS   4          2HB       HIS   4   1.486   9.758  -6.651
   35   2HB   HIS   4          1HB       HIS   4  -0.215   9.797  -7.120
   36    HD1  HIS   4           HD1      HIS   4   2.750   8.526  -8.412
   37    HD2  HIS   4           HD2      HIS   4  -0.183  10.980 -10.072
   38    HE1  HIS   4           HE1      HIS   4   2.979   8.316 -10.925
   39    H    PHE   5           H        PHE   5  -0.250  10.240  -5.320
   40    HA   PHE   5           HA       PHE   5  -1.225  12.510  -3.670
   41   1HB   PHE   5          2HB       PHE   5  -1.683   9.510  -3.530
   42   2HB   PHE   5          1HB       PHE   5  -2.553  10.727  -2.593
   43    HD1  PHE   5           HD1      PHE   5  -3.882  12.509  -3.836
   44    HD2  PHE   5           HD2      PHE   5  -2.346   8.982  -5.747
   45    HE1  PHE   5           HE1      PHE   5  -5.466  12.838  -5.715
   46    HE2  PHE   5           HE2      PHE   5  -3.931   9.310  -7.627
   47    HZ   PHE   5           HZ       PHE   5  -5.489  11.239  -7.610
   48    H    SER   6           H        SER   6  -1.075  10.233  -1.447
   49    HA   SER   6           HA       SER   6   1.808  10.665  -0.752
   50   1HB   SER   6          2HB       SER   6  -0.548  11.764   0.431
   51   2HB   SER   6          1HB       SER   6   0.141  10.621   1.581
   52    HG   SER   6           HG       SER   6   2.075  11.723   1.477
   53    H    ARG   7           H        ARG   7   2.768   8.929   0.382
   54    HA   ARG   7           HA       ARG   7   1.454   6.326   0.116
   55   1HB   ARG   7          2HB       ARG   7   4.113   7.439   0.942
   56   2HB   ARG   7          1HB       ARG   7   3.728   5.777   1.385
   57   1HG   ARG   7          2HG       ARG   7   3.809   5.039  -0.776
   58   2HG   ARG   7          1HG       ARG   7   3.113   6.528  -1.415
   59   1HD   ARG   7          2HD       ARG   7   5.245   6.940  -2.145
   60   2HD   ARG   7          1HD       ARG   7   5.552   7.404  -0.460
   61    HE   ARG   7           HE       ARG   7   5.779   4.615  -0.509
   62   1HH1  ARG   7          1HH2      ARG   7   7.712   7.292  -0.633
   63   2HH1  ARG   7          2HH2      ARG   7   9.037   6.547  -1.463
   64   1HH2  ARG   7          1HH1      ARG   7   7.289   3.646  -2.203
   65   2HH2  ARG   7          2HH1      ARG   7   8.798   4.483  -2.353
   66    H    CYS   8           H        CYS   8   1.013   4.898   1.927
   67    HA   CYS   8           HA       CYS   8  -0.009   6.295   4.296
   68   1HB   CYS   8          2HB       CYS   8  -0.542   3.959   2.831
   69   2HB   CYS   8          1HB       CYS   8   0.034   3.388   4.398
   70    HA   PRO   9           HA       PRO   9   3.697   5.672   6.634
   71   1HB   PRO   9          2HB       PRO   9   2.672   6.333   9.084
   72   2HB   PRO   9          1HB       PRO   9   3.064   7.540   7.844
   73   1HG   PRO   9          2HG       PRO   9   0.427   6.410   8.617
   74   2HG   PRO   9          1HG       PRO   9   0.851   8.057   8.127
   75   1HD   PRO   9          2HD       PRO   9  -0.352   6.231   6.478
   76   2HD   PRO   9          1HD       PRO   9   0.645   7.585   5.905
   77    H    LYS  10           H        LYS  10   4.493   4.149   8.258
   78    HA   LYS  10           HA       LYS  10   3.240   1.577   8.242
   79   1HB   LYS  10          2HB       LYS  10   5.605   1.793   8.546
   80   2HB   LYS  10          1HB       LYS  10   5.398   2.896   9.906
   81   1HG   LYS  10          2HG       LYS  10   4.328   1.062  11.200
   82   2HG   LYS  10          1HG       LYS  10   4.627  -0.036   9.853
   83   1HD   LYS  10          2HD       LYS  10   6.564  -0.474  10.977
   84   2HD   LYS  10          1HD       LYS  10   7.115   1.007  10.193
   85   1HE   LYS  10          2HE       LYS  10   7.088   2.198  12.150
   86   2HE   LYS  10          1HE       LYS  10   5.611   1.399  12.725
   87   1HZ   LYS  10          1HZ       LYS  10   6.762  -0.313  13.610
   88   2HZ   LYS  10          2HZ       LYS  10   8.022   0.823  13.682
   89   3HZ   LYS  10          3HZ       LYS  10   7.954  -0.294  12.404
   90    H    GLN  11           H        GLN  11   2.979   4.319  10.428
   91    HA   GLN  11           HA       GLN  11   1.943   3.072  12.750
   92   1HB   GLN  11          2HB       GLN  11   2.272   5.666  11.620
   93   2HB   GLN  11          1HB       GLN  11   0.608   5.556  12.195
   94   1HG   GLN  11          2HG       GLN  11   1.327   4.946  14.408
   95   2HG   GLN  11          1HG       GLN  11   2.996   4.746  13.870
   96   1HE2  GLN  11          1HE2      GLN  11   0.479   7.180  14.524
   97   2HE2  GLN  11          2HE2      GLN  11   1.540   8.503  14.591
   98    H    TYR  12           H        TYR  12   0.501   3.502   9.612
   99    HA   TYR  12           HA       TYR  12  -2.110   2.504  10.709
  100   1HB   TYR  12          2HB       TYR  12  -1.359   4.753   8.941
  101   2HB   TYR  12          1HB       TYR  12  -2.739   3.806   8.383
  102    HD1  TYR  12           HD1      TYR  12  -1.680   6.408  10.570
  103    HD2  TYR  12           HD2      TYR  12  -4.559   3.244  10.182
  104    HE1  TYR  12           HE1      TYR  12  -3.127   7.517  12.251
  105    HE2  TYR  12           HE2      TYR  12  -6.005   4.354  11.861
  106    HH   TYR  12           HH       TYR  12  -5.098   6.448  13.969
  107    H    LYS  13           H        LYS  13   0.517   1.533   9.033
  108    HA   LYS  13           HA       LYS  13  -0.826   0.233   6.752
  109   1HB   LYS  13          2HB       LYS  13   1.462   1.180   6.628
  110   2HB   LYS  13          1HB       LYS  13   1.989   0.052   7.879
  111   1HG   LYS  13          2HG       LYS  13   0.723  -1.564   5.982
  112   2HG   LYS  13          1HG       LYS  13   1.641  -0.400   5.024
  113   1HD   LYS  13          2HD       LYS  13   3.180  -1.354   7.304
  114   2HD   LYS  13          1HD       LYS  13   2.662  -2.686   6.270
  115   1HE   LYS  13          2HE       LYS  13   4.050  -0.177   5.256
  116   2HE   LYS  13          1HE       LYS  13   4.854  -1.735   5.533
  117   1HZ   LYS  13          1HZ       LYS  13   2.758  -2.551   4.156
  118   2HZ   LYS  13          2HZ       LYS  13   4.206  -2.080   3.403
  119   3HZ   LYS  13          3HZ       LYS  13   2.901  -0.995   3.495
  120    H    HIS  14           H        HIS  14  -1.849  -0.542   9.351
  121    HA   HIS  14           HA       HIS  14  -0.657  -3.158  10.003
  122   1HB   HIS  14          2HB       HIS  14  -2.917  -1.422  10.991
  123   2HB   HIS  14          1HB       HIS  14  -2.762  -3.086  11.554
  124    HD1  HIS  14           HD1      HIS  14  -2.128  -0.155  13.035
  125    HD2  HIS  14           HD2      HIS  14   0.537  -3.156  11.908
  126    HE1  HIS  14           HE1      HIS  14  -0.060   0.149  14.467
  127    H    TYR  15           H        TYR  15  -2.971  -1.925   7.825
  128    HA   TYR  15           HA       TYR  15  -4.545  -4.427   7.687
  129   1HB   TYR  15          2HB       TYR  15  -5.715  -3.089   5.877
  130   2HB   TYR  15          1HB       TYR  15  -5.716  -2.319   7.463
  131    HD1  TYR  15           HD1      TYR  15  -5.098  -0.083   7.585
  132    HD2  TYR  15           HD2      TYR  15  -3.552  -2.508   4.394
  133    HE1  TYR  15           HE1      TYR  15  -3.960   1.901   6.627
  134    HE2  TYR  15           HE2      TYR  15  -2.412  -0.524   3.438
  135    HH   TYR  15           HH       TYR  15  -1.586   1.948   4.790
  136    H    CYS  16           H        CYS  16  -1.550  -3.480   6.629
  137    HA   CYS  16           HA       CYS  16  -1.521  -5.531   4.514
  138   1HB   CYS  16          2HB       CYS  16  -1.579  -2.589   4.045
  139   2HB   CYS  16          1HB       CYS  16  -0.467  -3.527   3.047
  140    H    ILE  17           H        ILE  17   0.287  -6.603   5.280
  141    HA   ILE  17           HA       ILE  17   2.482  -5.302   6.636
  142    HB   ILE  17           HB       ILE  17   2.304  -8.005   5.269
  143   1HG1  ILE  17          2HG1      ILE  17   0.446  -7.611   6.863
  144   2HG1  ILE  17          1HG1      ILE  17   1.567  -8.830   7.471
  145   1HG2  ILE  17          1HG2      ILE  17   4.585  -7.481   5.868
  146   2HG2  ILE  17          2HG2      ILE  17   3.965  -8.614   7.070
  147   3HG2  ILE  17          3HG2      ILE  17   4.085  -6.896   7.455
  148   1HD1  ILE  17          1HD1      ILE  17   1.087  -7.322   9.292
  149   2HD1  ILE  17          2HD1      ILE  17   1.419  -5.916   8.281
  150   3HD1  ILE  17          3HD1      ILE  17   2.733  -6.992   8.753
  151    H    LYS  18           H        LYS  18   2.785  -7.232   3.637
  152    HA   LYS  18           HA       LYS  18   4.910  -5.356   2.733
  153   1HB   LYS  18          2HB       LYS  18   5.494  -7.190   1.236
  154   2HB   LYS  18          1HB       LYS  18   5.240  -7.839   2.854
  155   1HG   LYS  18          2HG       LYS  18   2.786  -8.218   2.066
  156   2HG   LYS  18          1HG       LYS  18   3.450  -8.043   0.443
  157   1HD   LYS  18          2HD       LYS  18   3.383 -10.420   1.214
  158   2HD   LYS  18          1HD       LYS  18   5.014  -9.865   0.833
  159   1HE   LYS  18          2HE       LYS  18   4.333  -9.312   3.616
  160   2HE   LYS  18          1HE       LYS  18   4.219 -11.043   3.239
  161   1HZ   LYS  18          1HZ       LYS  18   6.527  -9.927   3.773
  162   2HZ   LYS  18          2HZ       LYS  18   6.464  -9.530   2.122
  163   3HZ   LYS  18          3HZ       LYS  18   6.393 -11.155   2.612
  164    H    GLY  19           H        GLY  19   2.709  -3.934   2.462
  165   1HA   GLY  19          2HA       GLY  19   2.196  -3.941  -0.452
  166   2HA   GLY  19          1HA       GLY  19   0.786  -4.064   0.601
  167    H    ARG  20           H        ARG  20   1.847  -1.846  -1.235
  168    HA   ARG  20           HA       ARG  20   2.218   0.341   0.757
  169   1HB   ARG  20          2HB       ARG  20   3.349  -0.294  -1.705
  170   2HB   ARG  20          1HB       ARG  20   2.227   1.009  -2.096
  171   1HG   ARG  20          2HG       ARG  20   3.521   2.551  -1.077
  172   2HG   ARG  20          1HG       ARG  20   3.699   1.547   0.362
  173   1HD   ARG  20          2HD       ARG  20   5.909   1.827  -0.598
  174   2HD   ARG  20          1HD       ARG  20   5.397   0.166  -0.958
  175    HE   ARG  20           HE       ARG  20   5.271   2.431  -2.908
  176   1HH1  ARG  20          1HH2      ARG  20   7.022  -0.214  -2.787
  177   2HH1  ARG  20          2HH2      ARG  20   6.301  -1.072  -4.109
  178   1HH2  ARG  20          1HH1      ARG  20   3.552   1.030  -4.321
  179   2HH2  ARG  20          2HH1      ARG  20   4.337  -0.368  -4.976
  180    H    CYS  21           H        CYS  21   0.544   1.737   1.201
  181    HA   CYS  21           HA       CYS  21  -1.913   1.544  -0.511
  182   1HB   CYS  21          2HB       CYS  21  -2.311   0.741   1.705
  183   2HB   CYS  21          1HB       CYS  21  -1.414   2.078   2.423
  184    H    ARG  22           H        ARG  22  -2.412   3.377  -1.634
  185    HA   ARG  22           HA       ARG  22  -0.980   5.904  -1.018
  186   1HB   ARG  22          2HB       ARG  22  -1.461   4.615  -3.322
  187   2HB   ARG  22          1HB       ARG  22  -2.931   5.589  -3.261
  188   1HG   ARG  22          2HG       ARG  22  -1.751   7.338  -4.037
  189   2HG   ARG  22          1HG       ARG  22  -0.815   7.320  -2.542
  190   1HD   ARG  22          2HD       ARG  22   0.575   7.120  -4.671
  191   2HD   ARG  22          1HD       ARG  22   0.818   5.798  -3.511
  192    HE   ARG  22           HE       ARG  22  -1.162   5.532  -5.739
  193   1HH1  ARG  22          1HH1      ARG  22   1.993   4.875  -5.621
  194   2HH1  ARG  22          2HH1      ARG  22   1.880   3.147  -5.615
  195   1HH2  ARG  22          1HH2      ARG  22  -1.528   3.109  -4.976
  196   2HH2  ARG  22          2HH2      ARG  22  -0.114   2.147  -5.249
  197    H    PHE  23           H        PHE  23  -2.020   7.162   0.504
  198    HA   PHE  23           HA       PHE  23  -4.987   7.117   0.670
  199   1HB   PHE  23          2HB       PHE  23  -3.141   6.978   2.567
  200   2HB   PHE  23          1HB       PHE  23  -3.168   8.736   2.423
  201    HD1  PHE  23           HD1      PHE  23  -5.759   9.639   2.103
  202    HD2  PHE  23           HD2      PHE  23  -4.509   6.130   4.242
  203    HE1  PHE  23           HE1      PHE  23  -7.839   9.720   3.452
  204    HE2  PHE  23           HE2      PHE  23  -6.588   6.211   5.591
  205    HZ   PHE  23           HZ       PHE  23  -8.253   8.006   5.196
  206    H    VAL  24           H        VAL  24  -5.987   8.567  -0.694
  207    HA   VAL  24           HA       VAL  24  -4.628  11.053  -1.516
  208    HB   VAL  24           HB       VAL  24  -7.409   9.977  -2.085
  209   1HG1  VAL  24          1HG1      VAL  24  -7.572  12.087  -2.947
  210   2HG1  VAL  24          2HG1      VAL  24  -6.641  11.393  -4.275
  211   3HG1  VAL  24          3HG1      VAL  24  -5.823  12.305  -3.007
  212   1HG2  VAL  24          1HG2      VAL  24  -5.710   9.649  -4.312
  213   2HG2  VAL  24          2HG2      VAL  24  -6.362   8.374  -3.281
  214   3HG2  VAL  24          3HG2      VAL  24  -4.784   9.077  -2.924
  215    H    VAL  25           H        VAL  25  -4.728  12.785  -0.148
  216    HA   VAL  25           HA       VAL  25  -6.677  13.033   1.984
  217    HB   VAL  25           HB       VAL  25  -4.712  14.990   0.750
  218   1HG1  VAL  25          1HG1      VAL  25  -4.965  16.310   2.705
  219   2HG1  VAL  25          2HG1      VAL  25  -5.820  15.027   3.559
  220   3HG1  VAL  25          3HG1      VAL  25  -6.614  15.890   2.242
  221   1HG2  VAL  25          1HG2      VAL  25  -3.079  13.906   1.883
  222   2HG2  VAL  25          2HG2      VAL  25  -4.231  12.585   2.081
  223   3HG2  VAL  25          3HG2      VAL  25  -4.065  13.806   3.342
  224    H    ALA  26           H        ALA  26  -6.065  15.171  -0.844
  225    HA   ALA  26           HA       ALA  26  -8.233  16.867  -0.744
  226   1HB   ALA  26          1HB       ALA  26  -6.647  15.537  -2.872
  227   2HB   ALA  26          2HB       ALA  26  -6.943  17.254  -2.604
  228   3HB   ALA  26          3HB       ALA  26  -8.164  16.263  -3.403
  229    H    GLU  27           H        GLU  27  -8.397  13.870  -2.691
  230    HA   GLU  27           HA       GLU  27 -11.340  13.780  -2.209
  231   1HB   GLU  27          2HB       GLU  27 -10.506  13.718  -4.526
  232   2HB   GLU  27          1HB       GLU  27  -9.484  12.334  -4.134
  233   1HG   GLU  27          2HG       GLU  27 -11.439  11.426  -5.168
  234   2HG   GLU  27          1HG       GLU  27 -11.619  11.120  -3.439
  235    H    GLN  28           H        GLN  28 -11.348  12.875  -0.085
  236    HA   GLN  28           HA       GLN  28  -9.885  10.994   1.195
  237   1HB   GLN  28          2HB       GLN  28 -12.376  12.055   1.458
  238   2HB   GLN  28          1HB       GLN  28 -12.782  10.367   1.140
  239   1HG   GLN  28          2HG       GLN  28 -11.975   9.671   3.146
  240   2HG   GLN  28          1HG       GLN  28 -10.565  10.727   3.047
  241   1HE2  GLN  28          1HE2      GLN  28 -11.313  10.984   5.480
  242   2HE2  GLN  28          2HE2      GLN  28 -12.397  12.254   5.787
  243    H    THR  29           H        THR  29  -8.806   9.533  -0.267
  244    HA   THR  29           HA       THR  29 -10.509   7.209  -1.060
  245    HB   THR  29           HB       THR  29  -8.630   8.801  -2.829
  246    HG1  THR  29           1HG      THR  29 -11.388   8.416  -2.619
  247   1HG2  THR  29          1HG2      THR  29 -10.090   6.217  -3.440
  248   2HG2  THR  29          2HG2      THR  29  -8.354   6.355  -3.163
  249   3HG2  THR  29          3HG2      THR  29  -9.088   7.138  -4.563
  250    HA   PRO  30           HA       PRO  30  -6.566   5.906   0.905
  251   1HB   PRO  30          2HB       PRO  30  -7.706   4.064   2.572
  252   2HB   PRO  30          1HB       PRO  30  -7.569   5.783   2.987
  253   1HG   PRO  30          2HG       PRO  30  -9.924   4.246   2.052
  254   2HG   PRO  30          1HG       PRO  30  -9.836   5.609   3.176
  255   1HD   PRO  30          2HD       PRO  30 -10.627   5.781   0.531
  256   2HD   PRO  30          1HD       PRO  30 -10.042   7.141   1.513
  257    H    SER  31           H        SER  31  -6.066   4.897  -1.192
  258    HA   SER  31           HA       SER  31  -7.313   2.286  -1.813
  259   1HB   SER  31          2HB       SER  31  -5.886   2.507  -3.841
  260   2HB   SER  31          1HB       SER  31  -6.861   3.949  -3.568
  261    HG   SER  31           HG       SER  31  -4.988   4.912  -3.660
  262    H    CYS  32           H        CYS  32  -6.362   0.347  -1.268
  263    HA   CYS  32           HA       CYS  32  -3.577   0.437  -0.156
  264   1HB   CYS  32          2HB       CYS  32  -4.363  -1.571   1.119
  265   2HB   CYS  32          1HB       CYS  32  -5.327  -0.131   1.451
  266    H    VAL  33           H        VAL  33  -2.222  -0.255  -1.788
  267    HA   VAL  33           HA       VAL  33  -3.073  -2.609  -3.432
  268    HB   VAL  33           HB       VAL  33  -1.012  -0.422  -3.858
  269   1HG1  VAL  33          1HG1      VAL  33  -0.470  -2.710  -4.846
  270   2HG1  VAL  33          2HG1      VAL  33  -0.590  -1.390  -6.009
  271   3HG1  VAL  33          3HG1      VAL  33  -1.923  -2.531  -5.830
  272   1HG2  VAL  33          1HG2      VAL  33  -2.806  -0.261  -5.906
  273   2HG2  VAL  33          2HG2      VAL  33  -2.935   0.681  -4.420
  274   3HG2  VAL  33          3HG2      VAL  33  -3.854  -0.814  -4.599
  275    H    CYS  34           H        CYS  34  -1.975  -4.506  -3.107
  276    HA   CYS  34           HA       CYS  34   0.313  -4.521  -1.215
  277   1HB   CYS  34          2HB       CYS  34  -1.137  -6.831  -2.537
  278   2HB   CYS  34          1HB       CYS  34  -0.212  -6.859  -1.035
  279    H    ASP  35           H        ASP  35   2.243  -5.862  -1.790
  280    HA   ASP  35           HA       ASP  35   3.445  -5.148  -4.255
  281   1HB   ASP  35          2HB       ASP  35   3.894  -7.126  -2.062
  282   2HB   ASP  35          1HB       ASP  35   4.829  -7.335  -3.544
  283    H    GLU  36           H        GLU  36   2.806  -5.802  -6.271
  284    HA   GLU  36           HA       GLU  36   0.957  -7.718  -7.010
  285   1HB   GLU  36          2HB       GLU  36   3.443  -6.584  -8.246
  286   2HB   GLU  36          1HB       GLU  36   2.592  -7.871  -9.100
  287   1HG   GLU  36          2HG       GLU  36   1.693  -5.778  -9.888
  288   2HG   GLU  36          1HG       GLU  36   0.473  -6.514  -8.849
  289    H    GLY  37           H        GLY  37   4.404  -8.271  -6.306
  290   1HA   GLY  37          2HA       GLY  37   4.114 -11.156  -6.866
  291   2HA   GLY  37          1HA       GLY  37   5.609 -10.336  -6.411
  292    H    TYR  38           H        TYR  38   2.425 -10.363  -4.798
  293    HA   TYR  38           HA       TYR  38   3.779 -11.565  -2.409
  294   1HB   TYR  38          2HB       TYR  38   2.960  -9.855  -1.092
  295   2HB   TYR  38          1HB       TYR  38   3.058  -8.984  -2.619
  296    HD1  TYR  38           HD1      TYR  38   1.043  -9.288   0.084
  297    HD2  TYR  38           HD2      TYR  38   0.804  -9.757  -4.178
  298    HE1  TYR  38           HE1      TYR  38  -1.402  -8.878   0.175
  299    HE2  TYR  38           HE2      TYR  38  -1.637  -9.347  -4.088
  300    HH   TYR  38           HH       TYR  38  -3.274  -8.306  -2.651
  301    H    ILE  39           H        ILE  39   2.052 -12.483  -0.841
  302    HA   ILE  39           HA       ILE  39  -0.398 -13.453  -2.224
  303    HB   ILE  39           HB       ILE  39   1.888 -15.122  -1.150
  304   1HG1  ILE  39          2HG1      ILE  39   1.030 -16.156  -3.559
  305   2HG1  ILE  39          1HG1      ILE  39   0.782 -14.424  -3.784
  306   1HG2  ILE  39          1HG2      ILE  39  -1.003 -15.824  -1.605
  307   2HG2  ILE  39          2HG2      ILE  39   0.045 -16.268  -0.257
  308   3HG2  ILE  39          3HG2      ILE  39   0.253 -17.041  -1.829
  309   1HD1  ILE  39          1HD1      ILE  39   3.266 -15.914  -3.733
  310   2HD1  ILE  39          2HD1      ILE  39   3.273 -14.655  -2.499
  311   3HD1  ILE  39          3HD1      ILE  39   2.989 -14.233  -4.189
  312    H    GLY  40           H        GLY  40  -2.031 -14.115  -0.721
  313   1HA   GLY  40          2HA       GLY  40  -2.625 -14.750   1.612
  314   2HA   GLY  40          1HA       GLY  40  -1.370 -13.636   2.157
  315    H    ALA  41           H        ALA  41  -3.911 -13.321   3.167
  316    HA   ALA  41           HA       ALA  41  -5.348 -11.281   1.591
  317   1HB   ALA  41          1HB       ALA  41  -6.623 -12.913   2.829
  318   2HB   ALA  41          2HB       ALA  41  -6.823 -11.369   3.659
  319   3HB   ALA  41          3HB       ALA  41  -5.716 -12.581   4.304
  320    H    ARG  42           H        ARG  42  -3.344 -11.473   4.522
  321    HA   ARG  42           HA       ARG  42  -3.563  -8.533   4.912
  322   1HB   ARG  42          2HB       ARG  42  -2.159 -10.697   6.514
  323   2HB   ARG  42          1HB       ARG  42  -2.483  -9.048   7.050
  324   1HG   ARG  42          2HG       ARG  42  -4.823  -9.416   7.138
  325   2HG   ARG  42          1HG       ARG  42  -4.710 -10.889   6.174
  326   1HD   ARG  42          2HD       ARG  42  -3.300 -11.862   8.092
  327   2HD   ARG  42          1HD       ARG  42  -3.868 -10.482   9.054
  328    HE   ARG  42           HE       ARG  42  -5.965 -11.976   7.615
  329   1HH1  ARG  42          1HH1      ARG  42  -3.965 -12.364  10.320
  330   2HH1  ARG  42          2HH1      ARG  42  -5.259 -12.638  11.439
  331   1HH2  ARG  42          1HH2      ARG  42  -7.753 -11.922   9.140
  332   2HH2  ARG  42          2HH2      ARG  42  -7.402 -12.387  10.772
  333    H    CYS  43           H        CYS  43  -1.944 -10.113   2.743
  334    HA   CYS  43           HA       CYS  43   0.109  -9.750   1.624
  335   1HB   CYS  43          2HB       CYS  43   0.419  -7.463   3.585
  336   2HB   CYS  43          1HB       CYS  43   1.042  -7.564   1.939
  337    H    GLU  44           H        GLU  44   0.071 -11.598   3.826
  338    HA   GLU  44           HA       GLU  44   2.539 -11.070   5.382
  339   1HB   GLU  44          2HB       GLU  44   0.096 -12.284   5.862
  340   2HB   GLU  44          1HB       GLU  44   1.181 -13.660   5.650
  341   1HG   GLU  44          2HG       GLU  44   2.731 -12.092   7.216
  342   2HG   GLU  44          1HG       GLU  44   1.136 -11.598   7.783
  343    H    ARG  45           H        ARG  45   1.307 -13.319   2.910
  344    HA   ARG  45           HA       ARG  45   3.826 -14.842   2.860
  345   1HB   ARG  45          2HB       ARG  45   1.081 -15.043   1.913
  346   2HB   ARG  45          1HB       ARG  45   2.227 -15.482   0.645
  347   1HG   ARG  45          2HG       ARG  45   2.707 -16.561   3.389
  348   2HG   ARG  45          1HG       ARG  45   1.401 -17.273   2.441
  349   1HD   ARG  45          2HD       ARG  45   2.946 -18.499   1.325
  350   2HD   ARG  45          1HD       ARG  45   3.635 -16.990   0.691
  351    HE   ARG  45           HE       ARG  45   5.204 -16.970   2.525
  352   1HH1  ARG  45          1HH2      ARG  45   2.694 -19.168   3.213
  353   2HH1  ARG  45          2HH2      ARG  45   3.693 -20.267   4.104
  354   1HH2  ARG  45          1HH1      ARG  45   6.636 -18.570   3.408
  355   2HH2  ARG  45          2HH1      ARG  45   5.926 -19.928   4.216
  356    H    VAL  46           H        VAL  46   5.024 -15.071   0.765
  357    HA   VAL  46           HA       VAL  46   4.816 -12.696  -1.033
  358    HB   VAL  46           HB       VAL  46   6.427 -12.260   0.820
  359   1HG1  VAL  46          1HG1      VAL  46   7.146 -14.977   0.252
  360   2HG1  VAL  46          2HG1      VAL  46   7.733 -13.939   1.553
  361   3HG1  VAL  46          3HG1      VAL  46   8.563 -13.958  -0.003
  362   1HG2  VAL  46          1HG2      VAL  46   7.612 -12.672  -1.943
  363   2HG2  VAL  46          2HG2      VAL  46   8.399 -11.752  -0.660
  364   3HG2  VAL  46          3HG2      VAL  46   6.860 -11.202  -1.324
  365    H    ASP  47           H        ASP  47   5.896 -13.066  -3.111
  366    HA   ASP  47           HA       ASP  47   5.977 -15.950  -3.833
  367   1HB   ASP  47          2HB       ASP  47   4.840 -13.719  -4.960
  368   2HB   ASP  47          1HB       ASP  47   6.331 -13.861  -5.892
  369    H    LEU  48           H        LEU  48   8.208 -14.676  -2.332
  370    HA   LEU  48           HA       LEU  48  10.383 -15.315  -4.271
  371   1HB   LEU  48          2HB       LEU  48   9.631 -12.717  -3.215
  372   2HB   LEU  48          1HB       LEU  48  11.278 -13.130  -2.734
  373    HG   LEU  48           HG       LEU  48  10.862 -13.880  -5.486
  374   1HD1  LEU  48          1HD1      LEU  48   9.142 -11.949  -5.141
  375   2HD1  LEU  48          2HD1      LEU  48  10.255 -11.850  -6.506
  376   3HD1  LEU  48          3HD1      LEU  48  10.568 -10.915  -5.045
  377   1HD2  LEU  48          1HD2      LEU  48  12.967 -13.227  -4.057
  378   2HD2  LEU  48          2HD2      LEU  48  12.556 -11.581  -4.536
  379   3HD2  LEU  48          3HD2      LEU  48  12.918 -12.793  -5.766
  380    H    PHE  49           H        PHE  49  11.541 -16.909  -3.266
  381    HA   PHE  49           HA       PHE  49  11.415 -17.368  -0.396
  382   1HB   PHE  49          2HB       PHE  49  12.299 -18.661  -2.817
  383   2HB   PHE  49          1HB       PHE  49  13.574 -18.765  -1.604
  384    HD1  PHE  49           HD1      PHE  49  13.050 -19.715   0.670
  385    HD2  PHE  49           HD2      PHE  49  10.274 -19.906  -2.602
  386    HE1  PHE  49           HE1      PHE  49  11.783 -21.489   1.850
  387    HE2  PHE  49           HE2      PHE  49   9.006 -21.681  -1.422
  388    HZ   PHE  49           HZ       PHE  49   9.760 -22.473   0.804
  389    H    TYR  50           H        TYR  50  14.334 -16.912  -2.419
  390    HA   TYR  50           HA       TYR  50  15.801 -15.812  -0.124
  391   1HB   TYR  50          2HB       TYR  50  16.820 -17.358  -1.741
  392   2HB   TYR  50          1HB       TYR  50  16.489 -16.225  -3.053
  393    HD1  TYR  50           HD1      TYR  50  18.534 -15.357  -3.790
  394    HD2  TYR  50           HD2      TYR  50  17.779 -15.688   0.425
  395    HE1  TYR  50           HE1      TYR  50  20.664 -14.179  -3.316
  396    HE2  TYR  50           HE2      TYR  50  19.910 -14.511   0.900
  397    HH   TYR  50           HH       TYR  50  22.075 -13.495  -1.746
  Start of MODEL   28
    1   1H    ARG   1          H1        ARG   1   3.518  16.289 -15.053
    2   2H    ARG   1          H2        ARG   1   4.177  15.122 -16.097
    3   3H    ARG   1          H3        ARG   1   4.989  15.540 -14.664
    4    HA   ARG   1           HA       ARG   1   2.260  14.531 -14.377
    5   1HB   ARG   1          2HB       ARG   1   4.615  13.089 -15.549
    6   2HB   ARG   1          1HB       ARG   1   3.519  12.197 -14.492
    7   1HG   ARG   1          2HG       ARG   1   2.024  13.812 -16.379
    8   2HG   ARG   1          1HG       ARG   1   3.144  12.743 -17.223
    9   1HD   ARG   1          2HD       ARG   1   1.915  10.905 -16.702
   10   2HD   ARG   1          1HD       ARG   1   1.772  11.400 -15.003
   11    HE   ARG   1           HE       ARG   1  -0.252  11.811 -16.967
   12   1HH1  ARG   1          1HH2      ARG   1   0.359  12.488 -13.831
   13   2HH1  ARG   1          2HH2      ARG   1  -0.398  14.045 -13.789
   14   1HH2  ARG   1          1HH1      ARG   1  -0.744  14.263 -17.233
   15   2HH2  ARG   1          2HH1      ARG   1  -1.022  15.049 -15.714
   16    H    LYS   2           H        LYS   2   1.995  14.177 -12.193
   17    HA   LYS   2           HA       LYS   2   4.293  13.448 -10.491
   18   1HB   LYS   2          2HB       LYS   2   4.027  16.051 -10.972
   19   2HB   LYS   2          1HB       LYS   2   2.785  15.923  -9.726
   20   1HG   LYS   2          2HG       LYS   2   4.316  15.682  -8.080
   21   2HG   LYS   2          1HG       LYS   2   5.243  14.505  -9.011
   22   1HD   LYS   2          2HD       LYS   2   6.681  16.396  -8.730
   23   2HD   LYS   2          1HD       LYS   2   6.101  16.470 -10.394
   24   1HE   LYS   2          2HE       LYS   2   4.172  17.851  -8.846
   25   2HE   LYS   2          1HE       LYS   2   5.760  18.423  -8.296
   26   1HZ   LYS   2          1HZ       LYS   2   6.219  18.284 -10.885
   27   2HZ   LYS   2          2HZ       LYS   2   5.577  19.681 -10.160
   28   3HZ   LYS   2          3HZ       LYS   2   4.550  18.582 -10.951
   29    H    GLY   3           H        GLY   3   3.545  12.189  -8.809
   30   1HA   GLY   3          2HA       GLY   3   0.918  11.250  -8.620
   31   2HA   GLY   3          1HA       GLY   3   2.047  11.234  -7.265
   32    H    HIS   4           H        HIS   4   2.280  13.436  -6.136
   33    HA   HIS   4           HA       HIS   4   1.311  15.339  -5.105
   34   1HB   HIS   4          2HB       HIS   4   0.401  15.372  -7.674
   35   2HB   HIS   4          1HB       HIS   4  -1.123  15.222  -6.798
   36    HD1  HIS   4           HD1      HIS   4   0.028  17.849  -8.311
   37    HD2  HIS   4           HD2      HIS   4  -0.051  17.169  -4.199
   38    HE1  HIS   4           HE1      HIS   4   0.111  20.127  -7.207
   39    H    PHE   5           H        PHE   5   0.935  12.842  -3.936
   40    HA   PHE   5           HA       PHE   5  -1.765  13.177  -2.709
   41   1HB   PHE   5          2HB       PHE   5  -0.571  10.629  -3.858
   42   2HB   PHE   5          1HB       PHE   5  -2.047  10.684  -2.901
   43    HD1  PHE   5           HD1      PHE   5  -3.916  12.305  -3.705
   44    HD2  PHE   5           HD2      PHE   5  -0.690  10.933  -6.184
   45    HE1  PHE   5           HE1      PHE   5  -5.237  12.860  -5.728
   46    HE2  PHE   5           HE2      PHE   5  -2.011  11.487  -8.209
   47    HZ   PHE   5           HZ       PHE   5  -4.285  12.451  -7.980
   48    H    SER   6           H        SER   6  -1.301  10.621  -1.205
   49    HA   SER   6           HA       SER   6   1.139  11.266   0.373
   50   1HB   SER   6          2HB       SER   6  -1.676  11.691   1.090
   51   2HB   SER   6          1HB       SER   6  -0.786  10.769   2.295
   52    HG   SER   6           HG       SER   6   0.662  12.428   2.478
   53    H    ARG   7           H        ARG   7   2.143   9.400   1.031
   54    HA   ARG   7           HA       ARG   7   0.773   6.815   0.500
   55   1HB   ARG   7          2HB       ARG   7   2.984   5.937   0.400
   56   2HB   ARG   7          1HB       ARG   7   3.102   7.533  -0.339
   57   1HG   ARG   7          2HG       ARG   7   3.484   7.946   2.426
   58   2HG   ARG   7          1HG       ARG   7   4.439   6.522   2.018
   59   1HD   ARG   7          2HD       ARG   7   4.557   9.191   0.567
   60   2HD   ARG   7          1HD       ARG   7   5.789   8.554   1.675
   61    HE   ARG   7           HE       ARG   7   5.125   6.658  -0.426
   62   1HH1  ARG   7          1HH2      ARG   7   7.707   8.012   1.017
   63   2HH1  ARG   7          2HH2      ARG   7   8.612   8.361  -0.418
   64   1HH2  ARG   7          1HH1      ARG   7   5.962   7.728  -2.563
   65   2HH2  ARG   7          2HH1      ARG   7   7.624   8.201  -2.445
   66    H    CYS   8           H        CYS   8   0.672   5.168   2.136
   67    HA   CYS   8           HA       CYS   8   0.480   6.229   4.891
   68   1HB   CYS   8          2HB       CYS   8  -0.879   4.372   3.293
   69   2HB   CYS   8          1HB       CYS   8  -0.036   3.389   4.489
   70    HA   PRO   9           HA       PRO   9   4.475   4.572   5.877
   71   1HB   PRO   9          2HB       PRO   9   4.339   4.960   8.582
   72   2HB   PRO   9          1HB       PRO   9   4.636   6.278   7.431
   73   1HG   PRO   9          2HG       PRO   9   2.132   5.526   8.843
   74   2HG   PRO   9          1HG       PRO   9   2.760   7.129   8.431
   75   1HD   PRO   9          2HD       PRO   9   0.770   5.848   7.042
   76   2HD   PRO   9          1HD       PRO   9   1.829   7.095   6.349
   77    H    LYS  10           H        LYS  10   5.340   2.725   7.152
   78    HA   LYS  10           HA       LYS  10   3.635   0.421   7.124
   79   1HB   LYS  10          2HB       LYS  10   6.382   1.188   7.929
   80   2HB   LYS  10          1HB       LYS  10   5.746  -0.254   8.719
   81   1HG   LYS  10          2HG       LYS  10   4.973  -0.641   6.103
   82   2HG   LYS  10          1HG       LYS  10   6.541   0.146   5.917
   83   1HD   LYS  10          2HD       LYS  10   6.831  -1.745   8.010
   84   2HD   LYS  10          1HD       LYS  10   5.979  -2.566   6.701
   85   1HE   LYS  10          2HE       LYS  10   8.195  -0.884   5.745
   86   2HE   LYS  10          1HE       LYS  10   8.717  -2.212   6.800
   87   1HZ   LYS  10          1HZ       LYS  10   8.537  -3.183   4.691
   88   2HZ   LYS  10          2HZ       LYS  10   7.094  -2.363   4.329
   89   3HZ   LYS  10          3HZ       LYS  10   7.096  -3.622   5.470
   90    H    GLN  11           H        GLN  11   4.513   2.718   9.663
   91    HA   GLN  11           HA       GLN  11   3.610   1.212  11.925
   92   1HB   GLN  11          2HB       GLN  11   3.696   3.381  13.025
   93   2HB   GLN  11          1HB       GLN  11   5.032   3.291  11.878
   94   1HG   GLN  11          2HG       GLN  11   4.241   5.055  10.725
   95   2HG   GLN  11          1HG       GLN  11   2.656   4.297  10.568
   96   1HE2  GLN  11          1HE2      GLN  11   3.463   7.171  11.304
   97   2HE2  GLN  11          2HE2      GLN  11   2.633   7.475  12.753
   98    H    TYR  12           H        TYR  12   1.859   2.608   9.337
   99    HA   TYR  12           HA       TYR  12  -0.668   2.530  10.956
  100   1HB   TYR  12          2HB       TYR  12   0.545   4.517   9.265
  101   2HB   TYR  12          1HB       TYR  12  -0.983   4.009   8.544
  102    HD1  TYR  12           HD1      TYR  12   0.582   5.915  11.176
  103    HD2  TYR  12           HD2      TYR  12  -3.076   3.990  10.009
  104    HE1  TYR  12           HE1      TYR  12  -0.656   7.247  12.861
  105    HE2  TYR  12           HE2      TYR  12  -4.314   5.322  11.694
  106    HH   TYR  12           HH       TYR  12  -3.168   6.669  14.173
  107    H    LYS  13           H        LYS  13   1.081   0.924   8.588
  108    HA   LYS  13           HA       LYS  13  -1.171   0.181   6.848
  109   1HB   LYS  13          2HB       LYS  13   1.762  -0.393   7.113
  110   2HB   LYS  13          1HB       LYS  13   0.776  -1.465   6.118
  111   1HG   LYS  13          2HG       LYS  13  -0.089   0.607   4.933
  112   2HG   LYS  13          1HG       LYS  13   1.157   1.520   5.788
  113   1HD   LYS  13          2HD       LYS  13   2.543  -0.660   4.773
  114   2HD   LYS  13          1HD       LYS  13   1.416  -0.255   3.478
  115   1HE   LYS  13          2HE       LYS  13   2.266   1.955   3.274
  116   2HE   LYS  13          1HE       LYS  13   3.082   1.870   4.848
  117   1HZ   LYS  13          1HZ       LYS  13   4.128  -0.252   3.664
  118   2HZ   LYS  13          2HZ       LYS  13   4.835   1.289   3.563
  119   3HZ   LYS  13          3HZ       LYS  13   3.868   0.710   2.293
  120    H    HIS  14           H        HIS  14  -2.217  -0.552   9.155
  121    HA   HIS  14           HA       HIS  14  -1.334  -3.234  10.006
  122   1HB   HIS  14          2HB       HIS  14  -3.550  -1.309  10.755
  123   2HB   HIS  14          1HB       HIS  14  -3.420  -2.911  11.480
  124    HD1  HIS  14           HD1      HIS  14  -0.333  -3.070  11.741
  125    HD2  HIS  14           HD2      HIS  14  -2.595   0.245  12.870
  126    HE1  HIS  14           HE1      HIS  14   1.055  -1.800  13.436
  127    H    TYR  15           H        TYR  15  -3.559  -1.816   7.777
  128    HA   TYR  15           HA       TYR  15  -5.201  -4.269   7.557
  129   1HB   TYR  15          2HB       TYR  15  -6.353  -2.837   5.818
  130   2HB   TYR  15          1HB       TYR  15  -6.302  -2.106   7.422
  131    HD1  TYR  15           HD1      TYR  15  -5.558   0.097   7.609
  132    HD2  TYR  15           HD2      TYR  15  -4.240  -2.292   4.293
  133    HE1  TYR  15           HE1      TYR  15  -4.361   2.057   6.672
  134    HE2  TYR  15           HE2      TYR  15  -3.042  -0.334   3.356
  135    HH   TYR  15           HH       TYR  15  -2.034   2.009   4.679
  136    H    CYS  16           H        CYS  16  -2.210  -3.218   6.463
  137    HA   CYS  16           HA       CYS  16  -2.130  -5.280   4.365
  138   1HB   CYS  16          2HB       CYS  16  -2.310  -2.340   3.851
  139   2HB   CYS  16          1HB       CYS  16  -1.236  -3.284   2.818
  140    H    ILE  17           H        ILE  17  -0.269  -6.231   5.200
  141    HA   ILE  17           HA       ILE  17   1.923  -4.648   6.315
  142    HB   ILE  17           HB       ILE  17   1.432  -7.560   5.657
  143   1HG1  ILE  17          2HG1      ILE  17   0.233  -6.562   7.588
  144   2HG1  ILE  17          1HG1      ILE  17   1.408  -7.769   8.110
  145   1HG2  ILE  17          1HG2      ILE  17   3.876  -6.900   5.417
  146   2HG2  ILE  17          2HG2      ILE  17   3.548  -8.126   6.640
  147   3HG2  ILE  17          3HG2      ILE  17   3.840  -6.456   7.122
  148   1HD1  ILE  17          1HD1      ILE  17   1.537  -4.779   8.350
  149   2HD1  ILE  17          2HD1      ILE  17   3.033  -5.710   8.273
  150   3HD1  ILE  17          3HD1      ILE  17   1.874  -6.008   9.569
  151    H    LYS  18           H        LYS  18   1.852  -6.979   3.595
  152    HA   LYS  18           HA       LYS  18   4.223  -5.681   2.397
  153   1HB   LYS  18          2HB       LYS  18   2.682  -8.218   2.172
  154   2HB   LYS  18          1HB       LYS  18   3.525  -7.685   0.718
  155   1HG   LYS  18          2HG       LYS  18   5.356  -8.664   1.615
  156   2HG   LYS  18          1HG       LYS  18   5.409  -7.277   2.704
  157   1HD   LYS  18          2HD       LYS  18   4.101  -8.462   4.369
  158   2HD   LYS  18          1HD       LYS  18   3.847  -9.814   3.263
  159   1HE   LYS  18          2HE       LYS  18   5.643 -10.619   4.528
  160   2HE   LYS  18          1HE       LYS  18   6.515  -9.817   3.206
  161   1HZ   LYS  18          1HZ       LYS  18   7.138  -8.120   4.521
  162   2HZ   LYS  18          2HZ       LYS  18   6.865  -9.214   5.791
  163   3HZ   LYS  18          3HZ       LYS  18   5.670  -8.082   5.368
  164    H    GLY  19           H        GLY  19   2.314  -3.783   2.236
  165   1HA   GLY  19          2HA       GLY  19   1.801  -3.612  -0.641
  166   2HA   GLY  19          1HA       GLY  19   0.335  -3.725   0.335
  167    H    ARG  20           H        ARG  20   1.243  -1.443  -1.275
  168    HA   ARG  20           HA       ARG  20   1.799   0.585   0.858
  169   1HB   ARG  20          2HB       ARG  20   2.937   0.056  -1.633
  170   2HB   ARG  20          1HB       ARG  20   1.893   1.445  -1.939
  171   1HG   ARG  20          2HG       ARG  20   3.031   2.195   0.416
  172   2HG   ARG  20          1HG       ARG  20   4.346   1.254  -0.292
  173   1HD   ARG  20          2HD       ARG  20   2.941   3.655  -1.508
  174   2HD   ARG  20          1HD       ARG  20   4.660   3.496  -1.096
  175    HE   ARG  20           HE       ARG  20   4.539   1.496  -2.808
  176   1HH1  ARG  20          1HH1      ARG  20   1.687   2.708  -3.400
  177   2HH1  ARG  20          2HH1      ARG  20   2.022   3.482  -4.913
  178   1HH2  ARG  20          1HH2      ARG  20   5.465   3.250  -4.570
  179   2HH2  ARG  20          2HH2      ARG  20   4.161   3.789  -5.575
  180    H    CYS  21           H        CYS  21   0.007   1.716   1.508
  181    HA   CYS  21           HA       CYS  21  -2.370   1.801  -0.287
  182   1HB   CYS  21          2HB       CYS  21  -2.784   0.983   1.925
  183   2HB   CYS  21          1HB       CYS  21  -1.853   2.290   2.655
  184    H    ARG  22           H        ARG  22  -2.875   3.675  -1.342
  185    HA   ARG  22           HA       ARG  22  -1.372   6.157  -0.648
  186   1HB   ARG  22          2HB       ARG  22  -1.697   4.911  -2.995
  187   2HB   ARG  22          1HB       ARG  22  -3.173   5.876  -3.022
  188   1HG   ARG  22          2HG       ARG  22  -2.016   7.895  -3.053
  189   2HG   ARG  22          1HG       ARG  22  -0.580   7.200  -2.299
  190   1HD   ARG  22          2HD       ARG  22  -1.311   6.059  -4.946
  191   2HD   ARG  22          1HD       ARG  22  -0.714   7.731  -4.956
  192    HE   ARG  22           HE       ARG  22   0.824   5.818  -3.311
  193   1HH1  ARG  22          1HH1      ARG  22   0.527   5.994  -6.576
  194   2HH1  ARG  22          2HH1      ARG  22   2.137   6.542  -6.907
  195   1HH2  ARG  22          1HH2      ARG  22   2.875   7.207  -3.585
  196   2HH2  ARG  22          2HH2      ARG  22   3.465   7.228  -5.213
  197    H    PHE  23           H        PHE  23  -2.508   7.353   0.861
  198    HA   PHE  23           HA       PHE  23  -5.478   7.363   0.795
  199   1HB   PHE  23          2HB       PHE  23  -3.804   7.128   2.826
  200   2HB   PHE  23          1HB       PHE  23  -3.752   8.889   2.725
  201    HD1  PHE  23           HD1      PHE  23  -6.312   9.851   2.164
  202    HD2  PHE  23           HD2      PHE  23  -5.293   6.349   4.433
  203    HE1  PHE  23           HE1      PHE  23  -8.486   9.987   3.350
  204    HE2  PHE  23           HE2      PHE  23  -7.467   6.484   5.618
  205    HZ   PHE  23           HZ       PHE  23  -9.064   8.303   5.076
  206    H    VAL  24           H        VAL  24  -6.185   8.789  -0.803
  207    HA   VAL  24           HA       VAL  24  -4.794  11.313  -1.342
  208    HB   VAL  24           HB       VAL  24  -7.518  10.321  -2.232
  209   1HG1  VAL  24          1HG1      VAL  24  -5.814  12.619  -2.873
  210   2HG1  VAL  24          2HG1      VAL  24  -7.523  12.359  -3.218
  211   3HG1  VAL  24          3HG1      VAL  24  -6.296  11.700  -4.299
  212   1HG2  VAL  24          1HG2      VAL  24  -5.532   8.723  -2.589
  213   2HG2  VAL  24          2HG2      VAL  24  -4.897   9.944  -3.693
  214   3HG2  VAL  24          3HG2      VAL  24  -6.449   9.175  -4.026
  215    H    VAL  25           H        VAL  25  -5.093  13.103  -0.090
  216    HA   VAL  25           HA       VAL  25  -7.222  13.278   1.894
  217    HB   VAL  25           HB       VAL  25  -5.272  15.377   0.894
  218   1HG1  VAL  25          1HG1      VAL  25  -7.098  16.182   2.374
  219   2HG1  VAL  25          2HG1      VAL  25  -5.522  16.293   3.157
  220   3HG1  VAL  25          3HG1      VAL  25  -6.625  14.986   3.581
  221   1HG2  VAL  25          1HG2      VAL  25  -3.583  14.271   1.914
  222   2HG2  VAL  25          2HG2      VAL  25  -4.654  12.871   1.955
  223   3HG2  VAL  25          3HG2      VAL  25  -4.565  13.954   3.344
  224    H    ALA  26           H        ALA  26  -6.363  15.723  -0.582
  225    HA   ALA  26           HA       ALA  26  -8.717  17.163  -0.695
  226   1HB   ALA  26          1HB       ALA  26  -8.060  17.688  -2.986
  227   2HB   ALA  26          2HB       ALA  26  -7.122  16.197  -3.092
  228   3HB   ALA  26          3HB       ALA  26  -6.600  17.494  -2.016
  229    H    GLU  27           H        GLU  27  -8.045  14.150  -2.484
  230    HA   GLU  27           HA       GLU  27 -10.977  13.882  -3.041
  231   1HB   GLU  27          2HB       GLU  27  -8.665  13.700  -4.634
  232   2HB   GLU  27          1HB       GLU  27  -9.182  12.030  -4.398
  233   1HG   GLU  27          2HG       GLU  27 -11.528  12.797  -5.034
  234   2HG   GLU  27          1HG       GLU  27 -10.794  14.319  -5.544
  235    H    GLN  28           H        GLN  28 -11.250  13.073  -0.789
  236    HA   GLN  28           HA       GLN  28 -10.069  11.128   0.666
  237   1HB   GLN  28          2HB       GLN  28 -12.551  12.261   0.539
  238   2HB   GLN  28          1HB       GLN  28 -12.933  10.575   0.182
  239   1HG   GLN  28          2HG       GLN  28 -13.040  10.712   2.546
  240   2HG   GLN  28          1HG       GLN  28 -11.460  10.000   2.219
  241   1HE2  GLN  28          1HE2      GLN  28 -13.076  12.712   3.657
  242   2HE2  GLN  28          2HE2      GLN  28 -11.684  13.598   4.054
  243    H    THR  29           H        THR  29  -8.830   9.651  -0.634
  244    HA   THR  29           HA       THR  29 -10.455   7.389  -1.711
  245    HB   THR  29           HB       THR  29  -8.241   8.881  -3.153
  246    HG1  THR  29           1HG      THR  29 -10.928   8.460  -3.922
  247   1HG2  THR  29          1HG2      THR  29  -7.881   6.758  -3.955
  248   2HG2  THR  29          2HG2      THR  29  -9.222   7.213  -5.008
  249   3HG2  THR  29          3HG2      THR  29  -9.519   6.225  -3.576
  250    HA   PRO  30           HA       PRO  30  -6.868   5.957   0.778
  251   1HB   PRO  30          2HB       PRO  30  -8.290   4.237   2.352
  252   2HB   PRO  30          1HB       PRO  30  -8.117   5.963   2.730
  253   1HG   PRO  30          2HG       PRO  30 -10.424   4.501   1.591
  254   2HG   PRO  30          1HG       PRO  30 -10.391   5.921   2.645
  255   1HD   PRO  30          2HD       PRO  30 -10.844   5.953  -0.099
  256   2HD   PRO  30          1HD       PRO  30 -10.372   7.352   0.889
  257    H    SER  31           H        SER  31  -6.305   4.904  -1.325
  258    HA   SER  31           HA       SER  31  -7.555   2.269  -1.866
  259   1HB   SER  31          2HB       SER  31  -5.571   4.081  -3.250
  260   2HB   SER  31          1HB       SER  31  -5.898   2.453  -3.837
  261    HG   SER  31           HG       SER  31  -7.578   3.306  -4.754
  262    H    CYS  32           H        CYS  32  -6.307   0.314  -1.885
  263    HA   CYS  32           HA       CYS  32  -3.668   0.470  -0.466
  264   1HB   CYS  32          2HB       CYS  32  -4.375  -1.543   0.752
  265   2HB   CYS  32          1HB       CYS  32  -5.575  -0.268   0.963
  266    H    VAL  33           H        VAL  33  -2.052  -0.512  -1.622
  267    HA   VAL  33           HA       VAL  33  -2.838  -2.455  -3.769
  268    HB   VAL  33           HB       VAL  33  -0.467  -0.571  -3.553
  269   1HG1  VAL  33          1HG1      VAL  33  -0.720  -2.898  -5.045
  270   2HG1  VAL  33          2HG1      VAL  33   0.380  -1.566  -5.399
  271   3HG1  VAL  33          3HG1      VAL  33  -1.200  -1.637  -6.179
  272   1HG2  VAL  33          1HG2      VAL  33  -1.602   0.881  -5.019
  273   2HG2  VAL  33          2HG2      VAL  33  -2.876   0.361  -3.916
  274   3HG2  VAL  33          3HG2      VAL  33  -2.745  -0.367  -5.517
  275    H    CYS  34           H        CYS  34  -1.563  -4.361  -3.959
  276    HA   CYS  34           HA       CYS  34   0.245  -4.910  -1.628
  277   1HB   CYS  34          2HB       CYS  34  -1.653  -6.621  -3.253
  278   2HB   CYS  34          1HB       CYS  34  -0.479  -7.311  -2.132
  279    H    ASP  35           H        ASP  35   2.261  -5.867  -2.084
  280    HA   ASP  35           HA       ASP  35   3.543  -5.361  -4.552
  281   1HB   ASP  35          2HB       ASP  35   4.005  -6.946  -2.084
  282   2HB   ASP  35          1HB       ASP  35   4.982  -7.405  -3.479
  283    H    GLU  36           H        GLU  36   3.123  -6.302  -6.507
  284    HA   GLU  36           HA       GLU  36   1.449  -8.422  -7.118
  285   1HB   GLU  36          2HB       GLU  36   2.778  -8.569  -9.201
  286   2HB   GLU  36          1HB       GLU  36   2.560  -6.888  -8.715
  287   1HG   GLU  36          2HG       GLU  36   4.815  -7.185  -7.459
  288   2HG   GLU  36          1HG       GLU  36   5.025  -8.604  -8.485
  289    H    GLY  37           H        GLY  37   4.870  -8.625  -6.153
  290   1HA   GLY  37          2HA       GLY  37   4.815 -11.570  -6.381
  291   2HA   GLY  37          1HA       GLY  37   6.220 -10.593  -5.956
  292    H    TYR  38           H        TYR  38   2.961 -10.648  -4.506
  293    HA   TYR  38           HA       TYR  38   4.259 -11.442  -1.923
  294   1HB   TYR  38          2HB       TYR  38   3.201  -9.676  -0.878
  295   2HB   TYR  38          1HB       TYR  38   3.316  -8.990  -2.496
  296    HD1  TYR  38           HD1      TYR  38   1.158  -9.276   0.138
  297    HD2  TYR  38           HD2      TYR  38   1.261 -10.064  -4.084
  298    HE1  TYR  38           HE1      TYR  38  -1.315  -9.109   0.043
  299    HE2  TYR  38           HE2      TYR  38  -1.209  -9.896  -4.177
  300    HH   TYR  38           HH       TYR  38  -3.031  -8.468  -2.158
  301    H    ILE  39           H        ILE  39   2.499 -12.304  -0.343
  302    HA   ILE  39           HA       ILE  39   0.243 -13.671  -1.710
  303    HB   ILE  39           HB       ILE  39   2.663 -14.963  -0.443
  304   1HG1  ILE  39          2HG1      ILE  39   1.140 -15.406  -3.033
  305   2HG1  ILE  39          1HG1      ILE  39   2.695 -14.589  -2.873
  306   1HG2  ILE  39          1HG2      ILE  39   0.860 -16.074   0.659
  307   2HG2  ILE  39          2HG2      ILE  39   1.312 -17.123  -0.684
  308   3HG2  ILE  39          3HG2      ILE  39  -0.118 -16.097  -0.808
  309   1HD1  ILE  39          1HD1      ILE  39   3.346 -16.756  -3.471
  310   2HD1  ILE  39          2HD1      ILE  39   2.052 -17.507  -2.535
  311   3HD1  ILE  39          3HD1      ILE  39   3.448 -16.813  -1.711
  312    H    GLY  40           H        GLY  40  -1.309 -14.542  -0.143
  313   1HA   GLY  40          2HA       GLY  40  -1.981 -14.917   2.194
  314   2HA   GLY  40          1HA       GLY  40  -0.872 -13.629   2.667
  315    H    ALA  41           H        ALA  41  -3.719 -13.772   3.286
  316    HA   ALA  41           HA       ALA  41  -5.164 -11.942   1.543
  317   1HB   ALA  41          1HB       ALA  41  -5.868 -13.795   3.339
  318   2HB   ALA  41          2HB       ALA  41  -6.916 -12.420   2.986
  319   3HB   ALA  41          3HB       ALA  41  -5.879 -12.395   4.412
  320    H    ARG  42           H        ARG  42  -3.485 -11.641   4.679
  321    HA   ARG  42           HA       ARG  42  -3.998  -8.728   4.756
  322   1HB   ARG  42          2HB       ARG  42  -3.432 -10.873   6.572
  323   2HB   ARG  42          1HB       ARG  42  -2.180  -9.644   6.762
  324   1HG   ARG  42          2HG       ARG  42  -3.774  -8.761   8.176
  325   2HG   ARG  42          1HG       ARG  42  -4.294  -8.014   6.666
  326   1HD   ARG  42          2HD       ARG  42  -6.190  -9.306   6.531
  327   2HD   ARG  42          1HD       ARG  42  -5.385 -10.730   7.221
  328    HE   ARG  42           HE       ARG  42  -6.351  -8.400   8.829
  329   1HH1  ARG  42          1HH2      ARG  42  -4.083 -10.591   9.474
  330   2HH1  ARG  42          2HH2      ARG  42  -4.952 -11.500  10.666
  331   1HH2  ARG  42          1HH1      ARG  42  -8.007 -10.028   9.942
  332   2HH2  ARG  42          2HH1      ARG  42  -7.174 -11.182  10.931
  333    H    CYS  43           H        CYS  43  -1.960 -10.515   2.985
  334    HA   CYS  43           HA       CYS  43   0.040  -9.960   1.848
  335   1HB   CYS  43          2HB       CYS  43   0.035  -7.396   3.449
  336   2HB   CYS  43          1HB       CYS  43   0.630  -7.663   1.812
  337    H    GLU  44           H        GLU  44   0.165 -11.525   4.220
  338    HA   GLU  44           HA       GLU  44   2.517 -10.456   5.714
  339   1HB   GLU  44          2HB       GLU  44   0.263 -11.467   6.653
  340   2HB   GLU  44          1HB       GLU  44   1.057 -13.009   6.329
  341   1HG   GLU  44          2HG       GLU  44   3.085 -11.905   7.590
  342   2HG   GLU  44          1HG       GLU  44   1.844 -10.845   8.257
  343    H    ARG  45           H        ARG  45   1.592 -12.880   3.382
  344    HA   ARG  45           HA       ARG  45   4.119 -14.398   3.759
  345   1HB   ARG  45          2HB       ARG  45   1.435 -14.810   2.662
  346   2HB   ARG  45          1HB       ARG  45   2.698 -15.438   1.602
  347   1HG   ARG  45          2HG       ARG  45   2.502 -16.045   4.566
  348   2HG   ARG  45          1HG       ARG  45   1.914 -17.113   3.292
  349   1HD   ARG  45          2HD       ARG  45   4.296 -17.003   2.316
  350   2HD   ARG  45          1HD       ARG  45   4.773 -16.311   3.879
  351    HE   ARG  45           HE       ARG  45   3.485 -18.995   3.558
  352   1HH1  ARG  45          1HH2      ARG  45   6.435 -18.595   4.241
  353   2HH1  ARG  45          2HH2      ARG  45   6.414 -18.833   5.956
  354   1HH2  ARG  45          1HH1      ARG  45   2.977 -18.477   6.231
  355   2HH2  ARG  45          2HH1      ARG  45   4.458 -18.767   7.083
  356    H    VAL  46           H        VAL  46   5.305 -14.952   1.648
  357    HA   VAL  46           HA       VAL  46   5.291 -12.617  -0.237
  358    HB   VAL  46           HB       VAL  46   7.144 -12.313   1.233
  359   1HG1  VAL  46          1HG1      VAL  46   8.780 -14.398   1.394
  360   2HG1  VAL  46          2HG1      VAL  46   7.304 -15.299   1.045
  361   3HG1  VAL  46          3HG1      VAL  46   7.389 -14.262   2.470
  362   1HG2  VAL  46          1HG2      VAL  46   8.175 -13.861  -1.167
  363   2HG2  VAL  46          2HG2      VAL  46   9.091 -12.693  -0.216
  364   3HG2  VAL  46          3HG2      VAL  46   7.716 -12.159  -1.183
  365    H    ASP  47           H        ASP  47   5.967 -13.155  -2.414
  366    HA   ASP  47           HA       ASP  47   5.605 -16.044  -3.078
  367   1HB   ASP  47          2HB       ASP  47   4.076 -14.471  -4.123
  368   2HB   ASP  47          1HB       ASP  47   5.418 -13.462  -4.662
  369    H    LEU  48           H        LEU  48   7.233 -13.667  -5.106
  370    HA   LEU  48           HA       LEU  48   9.604 -15.455  -5.238
  371   1HB   LEU  48          2HB       LEU  48   8.282 -14.508  -7.226
  372   2HB   LEU  48          1HB       LEU  48   9.008 -12.950  -6.828
  373    HG   LEU  48           HG       LEU  48  11.237 -14.433  -6.814
  374   1HD1  LEU  48          1HD1      LEU  48   9.185 -16.006  -8.289
  375   2HD1  LEU  48          2HD1      LEU  48  10.612 -16.560  -7.414
  376   3HD1  LEU  48          3HD1      LEU  48  10.779 -15.886  -9.036
  377   1HD2  LEU  48          1HD2      LEU  48   9.970 -13.560  -9.424
  378   2HD2  LEU  48          2HD2      LEU  48  11.686 -13.580  -9.014
  379   3HD2  LEU  48          3HD2      LEU  48  10.607 -12.416  -8.242
  380    H    PHE  49           H        PHE  49   8.629 -12.767  -3.478
  381    HA   PHE  49           HA       PHE  49  11.182 -11.317  -3.482
  382   1HB   PHE  49          2HB       PHE  49   8.464 -10.923  -2.711
  383   2HB   PHE  49          1HB       PHE  49   9.458 -10.686  -1.273
  384    HD1  PHE  49           HD1      PHE  49   8.167  -9.110  -4.146
  385    HD2  PHE  49           HD2      PHE  49  11.697  -9.298  -1.705
  386    HE1  PHE  49           HE1      PHE  49   8.873  -6.891  -4.997
  387    HE2  PHE  49           HE2      PHE  49  12.403  -7.078  -2.557
  388    HZ   PHE  49           HZ       PHE  49  10.992  -5.875  -4.203
  389    H    TYR  50           H        TYR  50  10.437 -14.258  -2.298
  390    HA   TYR  50           HA       TYR  50  10.986 -14.418   0.420
  391   1HB   TYR  50          2HB       TYR  50  10.493 -16.360  -0.910
  392   2HB   TYR  50          1HB       TYR  50  11.913 -16.098  -1.923
  393    HD1  TYR  50           HD1      TYR  50  14.176 -16.559  -1.077
  394    HD2  TYR  50           HD2      TYR  50  10.691 -17.311   1.320
  395    HE1  TYR  50           HE1      TYR  50  15.540 -17.931   0.477
  396    HE2  TYR  50           HE2      TYR  50  12.054 -18.681   2.873
  397    HH   TYR  50           HH       TYR  50  14.892 -19.965   2.182
  Start of MODEL   29
    1   1H    ARG   1          H1        ARG   1  -4.792  19.702  -7.292
    2   2H    ARG   1          H2        ARG   1  -3.416  19.438  -8.253
    3   3H    ARG   1          H3        ARG   1  -4.028  18.188  -7.278
    4    HA   ARG   1           HA       ARG   1  -6.025  18.050  -8.615
    5   1HB   ARG   1          2HB       ARG   1  -4.697  20.476  -9.837
    6   2HB   ARG   1          1HB       ARG   1  -5.969  19.595 -10.684
    7   1HG   ARG   1          2HG       ARG   1  -7.562  20.563  -9.422
    8   2HG   ARG   1          1HG       ARG   1  -6.742  20.077  -7.937
    9   1HD   ARG   1          2HD       ARG   1  -6.223  22.258  -7.602
   10   2HD   ARG   1          1HD       ARG   1  -5.184  22.174  -9.039
   11    HE   ARG   1           HE       ARG   1  -7.846  22.410  -9.963
   12   1HH1  ARG   1          1HH1      ARG   1  -5.833  24.173  -7.807
   13   2HH1  ARG   1          2HH1      ARG   1  -6.306  25.725  -8.415
   14   1HH2  ARG   1          1HH2      ARG   1  -8.344  24.426 -10.901
   15   2HH2  ARG   1          2HH2      ARG   1  -7.730  25.869 -10.164
   16    H    LYS   2           H        LYS   2  -3.445  16.746  -8.419
   17    HA   LYS   2           HA       LYS   2  -3.399  15.324 -10.931
   18   1HB   LYS   2          2HB       LYS   2  -1.315  16.192 -11.816
   19   2HB   LYS   2          1HB       LYS   2  -2.374  17.566 -11.503
   20   1HG   LYS   2          2HG       LYS   2  -1.236  17.668  -9.183
   21   2HG   LYS   2          1HG       LYS   2  -0.004  16.623  -9.892
   22   1HD   LYS   2          2HD       LYS   2  -0.494  18.692 -11.771
   23   2HD   LYS   2          1HD       LYS   2  -0.330  19.465 -10.194
   24   1HE   LYS   2          2HE       LYS   2   1.906  19.325 -10.982
   25   2HE   LYS   2          1HE       LYS   2   1.761  17.913  -9.916
   26   1HZ   LYS   2          1HZ       LYS   2   2.610  17.114 -11.961
   27   2HZ   LYS   2          2HZ       LYS   2   1.472  17.991 -12.869
   28   3HZ   LYS   2          3HZ       LYS   2   0.974  16.667 -11.928
   29    H    GLY   3           H        GLY   3  -0.413  14.906 -10.645
   30   1HA   GLY   3          2HA       GLY   3  -0.521  12.705  -8.786
   31   2HA   GLY   3          1HA       GLY   3   0.938  13.311  -9.571
   32    H    HIS   4           H        HIS   4  -0.999  13.416  -6.692
   33    HA   HIS   4           HA       HIS   4   1.199  14.490  -5.129
   34   1HB   HIS   4          2HB       HIS   4  -0.244  16.353  -6.550
   35   2HB   HIS   4          1HB       HIS   4  -1.081  16.359  -4.998
   36    HD1  HIS   4           HD1      HIS   4   1.858  17.700  -6.658
   37    HD2  HIS   4           HD2      HIS   4   0.851  16.734  -2.730
   38    HE1  HIS   4           HE1      HIS   4   3.537  18.885  -5.177
   39    H    PHE   5           H        PHE   5   0.410  12.390  -4.136
   40    HA   PHE   5           HA       PHE   5  -1.992  12.842  -2.393
   41   1HB   PHE   5          2HB       PHE   5  -0.792  10.218  -3.324
   42   2HB   PHE   5          1HB       PHE   5  -2.369  10.464  -2.572
   43    HD1  PHE   5           HD1      PHE   5  -4.073  11.946  -3.802
   44    HD2  PHE   5           HD2      PHE   5  -0.543  10.357  -5.667
   45    HE1  PHE   5           HE1      PHE   5  -5.081  12.327  -6.036
   46    HE2  PHE   5           HE2      PHE   5  -1.552  10.739  -7.900
   47    HZ   PHE   5           HZ       PHE   5  -3.821  11.723  -8.085
   48    H    SER   6           H        SER   6  -1.450  10.561  -0.744
   49    HA   SER   6           HA       SER   6   1.146  11.301   0.562
   50   1HB   SER   6          2HB       SER   6  -1.666  11.204   1.606
   51   2HB   SER   6          1HB       SER   6  -0.339  10.834   2.704
   52    HG   SER   6           HG       SER   6  -1.017  13.114   2.514
   53    H    ARG   7           H        ARG   7   2.368   9.503   1.016
   54    HA   ARG   7           HA       ARG   7   1.243   6.827   0.513
   55   1HB   ARG   7          2HB       ARG   7   3.715   8.127   0.282
   56   2HB   ARG   7          1HB       ARG   7   3.946   6.972   1.596
   57   1HG   ARG   7          2HG       ARG   7   3.875   5.205   0.189
   58   2HG   ARG   7          1HG       ARG   7   2.451   5.831  -0.644
   59   1HD   ARG   7          2HD       ARG   7   4.341   5.731  -2.216
   60   2HD   ARG   7          1HD       ARG   7   3.952   7.431  -1.883
   61    HE   ARG   7           HE       ARG   7   6.099   7.591  -0.929
   62   1HH1  ARG   7          1HH1      ARG   7   6.608   4.721  -2.007
   63   2HH1  ARG   7          2HH1      ARG   7   7.209   3.960  -0.572
   64   1HH2  ARG   7          1HH2      ARG   7   6.111   6.480   1.542
   65   2HH2  ARG   7          2HH2      ARG   7   6.929   4.956   1.438
   66    H    CYS   8           H        CYS   8   0.546   5.463   2.121
   67    HA   CYS   8           HA       CYS   8   0.411   6.347   4.876
   68   1HB   CYS   8          2HB       CYS   8  -0.739   4.408   3.161
   69   2HB   CYS   8          1HB       CYS   8  -0.011   3.514   4.494
   70    HA   PRO   9           HA       PRO   9   4.463   4.828   5.940
   71   1HB   PRO   9          2HB       PRO   9   4.300   5.388   8.614
   72   2HB   PRO   9          1HB       PRO   9   4.611   6.629   7.384
   73   1HG   PRO   9          2HG       PRO   9   2.082   5.959   8.797
   74   2HG   PRO   9          1HG       PRO   9   2.727   7.538   8.324
   75   1HD   PRO   9          2HD       PRO   9   0.756   6.234   6.954
   76   2HD   PRO   9          1HD       PRO   9   1.875   7.397   6.207
   77    H    LYS  10           H        LYS  10   5.309   3.148   7.527
   78    HA   LYS  10           HA       LYS  10   3.668   0.789   7.526
   79   1HB   LYS  10          2HB       LYS  10   6.318   1.698   8.518
   80   2HB   LYS  10          1HB       LYS  10   5.648   0.273   9.313
   81   1HG   LYS  10          2HG       LYS  10   5.140  -0.246   6.652
   82   2HG   LYS  10          1HG       LYS  10   6.705   0.568   6.587
   83   1HD   LYS  10          2HD       LYS  10   7.086  -1.105   8.710
   84   2HD   LYS  10          1HD       LYS  10   6.000  -2.073   7.713
   85   1HE   LYS  10          2HE       LYS  10   7.499  -2.041   5.857
   86   2HE   LYS  10          1HE       LYS  10   8.464  -0.731   6.567
   87   1HZ   LYS  10          1HZ       LYS  10   8.157  -3.496   7.607
   88   2HZ   LYS  10          2HZ       LYS  10   8.889  -2.236   8.480
   89   3HZ   LYS  10          3HZ       LYS  10   9.578  -2.776   7.025
   90    H    GLN  11           H        GLN  11   4.167   3.361   9.869
   91    HA   GLN  11           HA       GLN  11   3.287   2.086  12.247
   92   1HB   GLN  11          2HB       GLN  11   3.939   4.671  11.274
   93   2HB   GLN  11          1HB       GLN  11   2.359   4.809  12.048
   94   1HG   GLN  11          2HG       GLN  11   3.955   3.147  13.710
   95   2HG   GLN  11          1HG       GLN  11   4.935   4.550  13.289
   96   1HE2  GLN  11          1HE2      GLN  11   3.577   6.734  13.444
   97   2HE2  GLN  11          2HE2      GLN  11   2.589   6.877  14.816
   98    H    TYR  12           H        TYR  12   1.515   3.035   9.409
   99    HA   TYR  12           HA       TYR  12  -1.056   2.419  10.833
  100   1HB   TYR  12          2HB       TYR  12  -0.178   4.571   8.968
  101   2HB   TYR  12          1HB       TYR  12  -1.814   3.951   8.738
  102    HD1  TYR  12           HD1      TYR  12   0.132   6.296  10.505
  103    HD2  TYR  12           HD2      TYR  12  -3.191   3.619  11.004
  104    HE1  TYR  12           HE1      TYR  12  -0.648   7.626  12.448
  105    HE2  TYR  12           HE2      TYR  12  -3.971   4.949  12.947
  106    HH   TYR  12           HH       TYR  12  -2.149   7.805  14.066
  107    H    LYS  13           H        LYS  13   1.119   1.204   8.669
  108    HA   LYS  13           HA       LYS  13  -0.784   0.241   6.632
  109   1HB   LYS  13          2HB       LYS  13   1.851   0.879   6.639
  110   2HB   LYS  13          1HB       LYS  13   1.964  -0.864   6.892
  111   1HG   LYS  13          2HG       LYS  13   1.084  -1.362   4.823
  112   2HG   LYS  13          1HG       LYS  13   0.080   0.088   4.784
  113   1HD   LYS  13          2HD       LYS  13   1.808   0.416   3.152
  114   2HD   LYS  13          1HD       LYS  13   2.228   1.427   4.536
  115   1HE   LYS  13          2HE       LYS  13   3.978   0.017   5.204
  116   2HE   LYS  13          1HE       LYS  13   3.296  -1.388   4.359
  117   1HZ   LYS  13          1HZ       LYS  13   3.890   0.964   2.743
  118   2HZ   LYS  13          2HZ       LYS  13   4.053  -0.683   2.362
  119   3HZ   LYS  13          3HZ       LYS  13   5.228   0.091   3.315
  120    H    HIS  14           H        HIS  14  -1.776  -0.694   8.986
  121    HA   HIS  14           HA       HIS  14  -0.642  -3.343   9.620
  122   1HB   HIS  14          2HB       HIS  14  -2.922  -1.608  10.569
  123   2HB   HIS  14          1HB       HIS  14  -2.801  -3.288  11.092
  124    HD1  HIS  14           HD1      HIS  14  -2.445  -1.039  13.165
  125    HD2  HIS  14           HD2      HIS  14   0.727  -2.761  11.077
  126    HE1  HIS  14           HE1      HIS  14  -0.368  -0.626  14.551
  127    H    TYR  15           H        TYR  15  -2.911  -1.986   7.444
  128    HA   TYR  15           HA       TYR  15  -4.454  -4.491   7.115
  129   1HB   TYR  15          2HB       TYR  15  -5.596  -3.048   5.365
  130   2HB   TYR  15          1HB       TYR  15  -5.650  -2.390   6.999
  131    HD1  TYR  15           HD1      TYR  15  -5.060  -0.158   7.291
  132    HD2  TYR  15           HD2      TYR  15  -3.407  -2.345   3.985
  133    HE1  TYR  15           HE1      TYR  15  -3.916   1.896   6.504
  134    HE2  TYR  15           HE2      TYR  15  -2.262  -0.293   3.198
  135    HH   TYR  15           HH       TYR  15  -3.050   2.680   4.028
  136    H    CYS  16           H        CYS  16  -1.450  -3.449   6.199
  137    HA   CYS  16           HA       CYS  16  -1.357  -5.329   3.923
  138   1HB   CYS  16          2HB       CYS  16  -1.346  -2.353   3.726
  139   2HB   CYS  16          1HB       CYS  16  -0.201  -3.217   2.699
  140    H    ILE  17           H        ILE  17   0.106  -6.265   5.649
  141    HA   ILE  17           HA       ILE  17   2.381  -5.098   6.765
  142    HB   ILE  17           HB       ILE  17   1.880  -7.861   5.627
  143   1HG1  ILE  17          2HG1      ILE  17   1.940  -6.910   8.503
  144   2HG1  ILE  17          1HG1      ILE  17   0.463  -6.934   7.538
  145   1HG2  ILE  17          1HG2      ILE  17   4.357  -6.735   6.459
  146   2HG2  ILE  17          2HG2      ILE  17   4.009  -8.423   6.086
  147   3HG2  ILE  17          3HG2      ILE  17   3.828  -7.829   7.737
  148   1HD1  ILE  17          1HD1      ILE  17   2.109  -9.422   7.588
  149   2HD1  ILE  17          2HD1      ILE  17   0.357  -9.235   7.503
  150   3HD1  ILE  17          3HD1      ILE  17   1.193  -9.025   9.042
  151    H    LYS  18           H        LYS  18   2.311  -6.849   3.621
  152    HA   LYS  18           HA       LYS  18   4.805  -5.358   2.871
  153   1HB   LYS  18          2HB       LYS  18   5.322  -7.285   1.521
  154   2HB   LYS  18          1HB       LYS  18   4.785  -7.893   3.086
  155   1HG   LYS  18          2HG       LYS  18   2.406  -7.845   1.900
  156   2HG   LYS  18          1HG       LYS  18   3.390  -7.976   0.442
  157   1HD   LYS  18          2HD       LYS  18   3.285  -9.880   2.788
  158   2HD   LYS  18          1HD       LYS  18   2.921 -10.222   1.097
  159   1HE   LYS  18          2HE       LYS  18   5.666  -9.428   2.137
  160   2HE   LYS  18          1HE       LYS  18   5.171 -11.084   1.732
  161   1HZ   LYS  18          1HZ       LYS  18   5.126  -8.748  -0.106
  162   2HZ   LYS  18          2HZ       LYS  18   4.574 -10.308  -0.491
  163   3HZ   LYS  18          3HZ       LYS  18   6.221 -10.042  -0.171
  164    H    GLY  19           H        GLY  19   2.777  -3.724   2.439
  165   1HA   GLY  19          2HA       GLY  19   2.503  -3.679  -0.482
  166   2HA   GLY  19          1HA       GLY  19   0.979  -3.865   0.387
  167    H    ARG  20           H        ARG  20   2.235  -1.568  -1.219
  168    HA   ARG  20           HA       ARG  20   2.354   0.561   0.852
  169   1HB   ARG  20          2HB       ARG  20   4.079   0.621  -0.805
  170   2HB   ARG  20          1HB       ARG  20   2.927   0.350  -2.113
  171   1HG   ARG  20          2HG       ARG  20   2.081   2.664  -0.682
  172   2HG   ARG  20          1HG       ARG  20   3.803   2.842  -1.018
  173   1HD   ARG  20          2HD       ARG  20   1.978   1.885  -3.212
  174   2HD   ARG  20          1HD       ARG  20   2.067   3.618  -2.838
  175    HE   ARG  20           HE       ARG  20   4.292   3.630  -3.652
  176   1HH1  ARG  20          1HH1      ARG  20   5.453   1.508  -1.975
  177   2HH1  ARG  20          2HH1      ARG  20   5.834   0.266  -3.120
  178   1HH2  ARG  20          1HH2      ARG  20   3.795   1.564  -5.606
  179   2HH2  ARG  20          2HH2      ARG  20   4.895   0.297  -5.176
  180    H    CYS  21           H        CYS  21   0.488   1.669   1.321
  181    HA   CYS  21           HA       CYS  21  -1.736   1.604  -0.687
  182   1HB   CYS  21          2HB       CYS  21  -2.311   0.541   1.383
  183   2HB   CYS  21          1HB       CYS  21  -1.601   1.850   2.327
  184    H    ARG  22           H        ARG  22  -2.252   3.529  -1.641
  185    HA   ARG  22           HA       ARG  22  -1.036   6.032  -0.598
  186   1HB   ARG  22          2HB       ARG  22  -0.727   5.524  -2.945
  187   2HB   ARG  22          1HB       ARG  22  -2.454   5.230  -3.157
  188   1HG   ARG  22          2HG       ARG  22  -2.989   7.532  -2.867
  189   2HG   ARG  22          1HG       ARG  22  -1.385   7.900  -2.229
  190   1HD   ARG  22          2HD       ARG  22  -0.701   8.395  -4.330
  191   2HD   ARG  22          1HD       ARG  22  -1.029   6.718  -4.808
  192    HE   ARG  22           HE       ARG  22  -3.131   8.853  -4.819
  193   1HH1  ARG  22          1HH1      ARG  22  -1.245   7.041  -6.863
  194   2HH1  ARG  22          2HH1      ARG  22  -2.548   6.349  -7.769
  195   1HH2  ARG  22          1HH2      ARG  22  -5.009   7.507  -5.619
  196   2HH2  ARG  22          2HH2      ARG  22  -4.679   6.611  -7.064
  197    H    PHE  23           H        PHE  23  -2.291   7.262   0.755
  198    HA   PHE  23           HA       PHE  23  -5.255   6.945   0.666
  199   1HB   PHE  23          2HB       PHE  23  -3.610   6.797   2.728
  200   2HB   PHE  23          1HB       PHE  23  -3.717   8.557   2.680
  201    HD1  PHE  23           HD1      PHE  23  -6.324   9.328   2.122
  202    HD2  PHE  23           HD2      PHE  23  -5.069   5.809   4.241
  203    HE1  PHE  23           HE1      PHE  23  -8.527   9.228   3.259
  204    HE2  PHE  23           HE2      PHE  23  -7.272   5.708   5.378
  205    HZ   PHE  23           HZ       PHE  23  -8.999   7.418   4.888
  206    H    VAL  24           H        VAL  24  -6.085   8.364  -0.873
  207    HA   VAL  24           HA       VAL  24  -4.897  11.000  -1.347
  208    HB   VAL  24           HB       VAL  24  -7.541   9.825  -2.251
  209   1HG1  VAL  24          1HG1      VAL  24  -6.602  12.364  -2.571
  210   2HG1  VAL  24          2HG1      VAL  24  -7.665  11.559  -3.727
  211   3HG1  VAL  24          3HG1      VAL  24  -5.922  11.581  -3.998
  212   1HG2  VAL  24          1HG2      VAL  24  -6.418   8.763  -4.036
  213   2HG2  VAL  24          2HG2      VAL  24  -5.376   8.437  -2.650
  214   3HG2  VAL  24          3HG2      VAL  24  -4.951   9.711  -3.793
  215    H    VAL  25           H        VAL  25  -5.288  12.683   0.025
  216    HA   VAL  25           HA       VAL  25  -7.511  12.651   1.929
  217    HB   VAL  25           HB       VAL  25  -5.352  14.648   1.188
  218   1HG1  VAL  25          1HG1      VAL  25  -6.852  16.078   2.204
  219   2HG1  VAL  25          2HG1      VAL  25  -6.079  15.417   3.645
  220   3HG1  VAL  25          3HG1      VAL  25  -7.635  14.781   3.109
  221   1HG2  VAL  25          1HG2      VAL  25  -4.642  12.478   2.225
  222   2HG2  VAL  25          2HG2      VAL  25  -5.676  12.844   3.606
  223   3HG2  VAL  25          3HG2      VAL  25  -4.291  13.875   3.242
  224    H    ALA  26           H        ALA  26  -6.534  14.987  -0.631
  225    HA   ALA  26           HA       ALA  26  -8.706  16.683  -0.705
  226   1HB   ALA  26          1HB       ALA  26  -6.838  16.909  -2.213
  227   2HB   ALA  26          2HB       ALA  26  -8.271  16.695  -3.219
  228   3HB   ALA  26          3HB       ALA  26  -7.172  15.342  -2.950
  229    H    GLU  27           H        GLU  27  -8.533  13.538  -2.389
  230    HA   GLU  27           HA       GLU  27 -11.532  13.515  -2.492
  231   1HB   GLU  27          2HB       GLU  27  -9.388  13.009  -4.415
  232   2HB   GLU  27          1HB       GLU  27 -10.507  11.650  -4.312
  233   1HG   GLU  27          2HG       GLU  27 -12.381  13.018  -4.854
  234   2HG   GLU  27          1HG       GLU  27 -11.464  14.503  -4.595
  235    H    GLN  28           H        GLN  28 -11.864  12.419  -0.512
  236    HA   GLN  28           HA       GLN  28 -10.540  10.490   0.852
  237   1HB   GLN  28          2HB       GLN  28 -12.756  11.311   1.440
  238   2HB   GLN  28          1HB       GLN  28 -13.466  10.490   0.050
  239   1HG   GLN  28          2HG       GLN  28 -13.721   9.278   2.273
  240   2HG   GLN  28          1HG       GLN  28 -12.996   8.328   0.975
  241   1HE2  GLN  28          1HE2      GLN  28 -11.543  10.829   3.130
  242   2HE2  GLN  28          2HE2      GLN  28 -10.315   9.817   3.720
  243    H    THR  29           H        THR  29  -9.179   9.196  -0.543
  244    HA   THR  29           HA       THR  29 -10.620   6.858  -1.707
  245    HB   THR  29           HB       THR  29  -8.794   8.798  -3.130
  246    HG1  THR  29           1HG      THR  29 -11.036   7.621  -4.256
  247   1HG2  THR  29          1HG2      THR  29  -9.329   6.782  -4.942
  248   2HG2  THR  29          2HG2      THR  29  -8.985   5.892  -3.457
  249   3HG2  THR  29          3HG2      THR  29  -7.795   7.020  -4.107
  250    HA   PRO  30           HA       PRO  30  -6.814   5.683   0.574
  251   1HB   PRO  30          2HB       PRO  30  -7.997   3.764   2.117
  252   2HB   PRO  30          1HB       PRO  30  -7.973   5.480   2.567
  253   1HG   PRO  30          2HG       PRO  30 -10.178   3.849   1.462
  254   2HG   PRO  30          1HG       PRO  30 -10.234   5.231   2.563
  255   1HD   PRO  30          2HD       PRO  30 -10.795   5.300  -0.165
  256   2HD   PRO  30          1HD       PRO  30 -10.442   6.707   0.860
  257    H    SER  31           H        SER  31  -6.113   4.746  -1.493
  258    HA   SER  31           HA       SER  31  -7.164   2.053  -2.183
  259   1HB   SER  31          2HB       SER  31  -6.410   4.224  -3.654
  260   2HB   SER  31          1HB       SER  31  -4.920   3.285  -3.682
  261    HG   SER  31           HG       SER  31  -6.660   1.504  -4.126
  262    H    CYS  32           H        CYS  32  -6.042   0.209  -1.631
  263    HA   CYS  32           HA       CYS  32  -3.284   0.556  -0.508
  264   1HB   CYS  32          2HB       CYS  32  -3.865  -1.466   0.807
  265   2HB   CYS  32          1HB       CYS  32  -5.036  -0.174   1.065
  266    H    VAL  33           H        VAL  33  -1.781  -0.115  -1.984
  267    HA   VAL  33           HA       VAL  33  -2.458  -2.397  -3.799
  268    HB   VAL  33           HB       VAL  33  -0.349  -0.214  -3.905
  269   1HG1  VAL  33          1HG1      VAL  33   0.283  -1.061  -6.038
  270   2HG1  VAL  33          2HG1      VAL  33  -1.112  -2.138  -6.108
  271   3HG1  VAL  33          3HG1      VAL  33   0.207  -2.475  -4.987
  272   1HG2  VAL  33          1HG2      VAL  33  -2.248   0.932  -4.513
  273   2HG2  VAL  33          2HG2      VAL  33  -3.110  -0.536  -4.972
  274   3HG2  VAL  33          3HG2      VAL  33  -1.920   0.166  -6.068
  275    H    CYS  34           H        CYS  34  -1.412  -4.323  -3.434
  276    HA   CYS  34           HA       CYS  34   0.781  -4.368  -1.412
  277   1HB   CYS  34          2HB       CYS  34  -0.732  -6.697  -2.614
  278   2HB   CYS  34          1HB       CYS  34   0.109  -6.635  -1.067
  279    H    ASP  35           H        ASP  35   2.639  -5.835  -1.858
  280    HA   ASP  35           HA       ASP  35   3.912  -5.351  -4.352
  281   1HB   ASP  35          2HB       ASP  35   4.262  -7.374  -2.132
  282   2HB   ASP  35          1HB       ASP  35   5.372  -7.301  -3.501
  283    H    GLU  36           H        GLU  36   3.360  -6.190  -6.324
  284    HA   GLU  36           HA       GLU  36   1.444  -8.078  -6.957
  285   1HB   GLU  36          2HB       GLU  36   2.768  -8.373  -9.053
  286   2HB   GLU  36          1HB       GLU  36   2.660  -6.681  -8.566
  287   1HG   GLU  36          2HG       GLU  36   4.881  -6.783  -7.565
  288   2HG   GLU  36          1HG       GLU  36   4.990  -8.509  -7.912
  289    H    GLY  37           H        GLY  37   4.767  -8.711  -5.898
  290   1HA   GLY  37          2HA       GLY  37   4.417 -11.619  -6.295
  291   2HA   GLY  37          1HA       GLY  37   5.891 -10.822  -5.743
  292    H    TYR  38           H        TYR  38   2.575 -10.558  -4.458
  293    HA   TYR  38           HA       TYR  38   3.613 -11.679  -1.879
  294   1HB   TYR  38          2HB       TYR  38   2.781  -9.840  -0.756
  295   2HB   TYR  38          1HB       TYR  38   3.099  -9.080  -2.312
  296    HD1  TYR  38           HD1      TYR  38   0.760  -9.214   0.188
  297    HD2  TYR  38           HD2      TYR  38   1.008  -9.672  -4.075
  298    HE1  TYR  38           HE1      TYR  38  -1.646  -8.647  -0.014
  299    HE2  TYR  38           HE2      TYR  38  -1.395  -9.105  -4.278
  300    HH   TYR  38           HH       TYR  38  -3.269  -8.641  -3.191
  301    H    ILE  39           H        ILE  39   1.701 -12.386  -0.435
  302    HA   ILE  39           HA       ILE  39  -0.700 -13.256  -1.950
  303    HB   ILE  39           HB       ILE  39   1.402 -15.042  -0.704
  304   1HG1  ILE  39          2HG1      ILE  39   0.080 -14.942  -3.436
  305   2HG1  ILE  39          1HG1      ILE  39   1.727 -14.434  -3.063
  306   1HG2  ILE  39          1HG2      ILE  39  -0.135 -16.914  -1.001
  307   2HG2  ILE  39          2HG2      ILE  39  -1.375 -15.832  -1.637
  308   3HG2  ILE  39          3HG2      ILE  39  -0.883 -15.713   0.052
  309   1HD1  ILE  39          1HD1      ILE  39   0.896 -17.210  -2.315
  310   2HD1  ILE  39          2HD1      ILE  39   2.485 -16.606  -2.784
  311   3HD1  ILE  39          3HD1      ILE  39   1.243 -16.867  -4.009
  312    H    GLY  40           H        GLY  40  -2.458 -13.807  -0.532
  313   1HA   GLY  40          2HA       GLY  40  -3.219 -14.343   1.779
  314   2HA   GLY  40          1HA       GLY  40  -1.953 -13.265   2.367
  315    H    ALA  41           H        ALA  41  -4.495 -12.777   3.239
  316    HA   ALA  41           HA       ALA  41  -5.780 -10.767   1.500
  317   1HB   ALA  41          1HB       ALA  41  -6.408 -11.534   4.362
  318   2HB   ALA  41          2HB       ALA  41  -6.922 -12.508   2.984
  319   3HB   ALA  41          3HB       ALA  41  -7.508 -10.854   3.164
  320    H    ARG  42           H        ARG  42  -4.011 -10.871   4.598
  321    HA   ARG  42           HA       ARG  42  -4.116  -7.921   4.834
  322   1HB   ARG  42          2HB       ARG  42  -3.095 -10.229   6.497
  323   2HB   ARG  42          1HB       ARG  42  -2.772  -8.555   6.947
  324   1HG   ARG  42          2HG       ARG  42  -4.753  -8.943   8.104
  325   2HG   ARG  42          1HG       ARG  42  -5.374  -8.278   6.593
  326   1HD   ARG  42          2HD       ARG  42  -6.319 -10.264   5.974
  327   2HD   ARG  42          1HD       ARG  42  -4.935 -11.208   6.560
  328    HE   ARG  42           HE       ARG  42  -6.406  -9.984   8.743
  329   1HH1  ARG  42          1HH1      ARG  42  -8.010 -11.788   6.614
  330   2HH1  ARG  42          2HH1      ARG  42  -8.158 -13.224   7.571
  331   1HH2  ARG  42          1HH2      ARG  42  -5.858 -12.193   9.953
  332   2HH2  ARG  42          2HH2      ARG  42  -6.941 -13.453   9.462
  333    H    CYS  43           H        CYS  43  -2.392  -9.815   2.888
  334    HA   CYS  43           HA       CYS  43  -0.336  -9.492   1.759
  335   1HB   CYS  43          2HB       CYS  43  -0.008  -7.053   3.516
  336   2HB   CYS  43          1HB       CYS  43   0.577  -7.296   1.873
  337    H    GLU  44           H        GLU  44  -0.419 -11.164   4.088
  338    HA   GLU  44           HA       GLU  44   2.091 -10.524   5.565
  339   1HB   GLU  44          2HB       GLU  44   1.257 -12.445   6.988
  340   2HB   GLU  44          1HB       GLU  44   0.141 -11.081   6.891
  341   1HG   GLU  44          2HG       GLU  44  -1.287 -12.205   5.382
  342   2HG   GLU  44          1HG       GLU  44  -0.053 -13.394   4.964
  343    H    ARG  45           H        ARG  45   0.720 -12.806   3.258
  344    HA   ARG  45           HA       ARG  45   2.984 -14.674   3.468
  345   1HB   ARG  45          2HB       ARG  45   0.339 -14.802   2.706
  346   2HB   ARG  45          1HB       ARG  45   1.170 -14.813   1.150
  347   1HG   ARG  45          2HG       ARG  45   1.934 -16.914   1.470
  348   2HG   ARG  45          1HG       ARG  45   2.485 -16.538   3.104
  349   1HD   ARG  45          2HD       ARG  45   0.646 -17.496   4.029
  350   2HD   ARG  45          1HD       ARG  45  -0.439 -16.640   2.916
  351    HE   ARG  45           HE       ARG  45   0.745 -18.486   1.270
  352   1HH1  ARG  45          1HH1      ARG  45   1.208 -20.136   3.753
  353   2HH1  ARG  45          2HH1      ARG  45  -0.226 -21.106   3.803
  354   1HH2  ARG  45          1HH2      ARG  45  -1.977 -19.099   1.581
  355   2HH2  ARG  45          2HH2      ARG  45  -2.031 -20.518   2.574
  356    H    VAL  46           H        VAL  46   4.304 -15.169   1.497
  357    HA   VAL  46           HA       VAL  46   4.574 -12.867  -0.393
  358    HB   VAL  46           HB       VAL  46   6.111 -12.694   1.600
  359   1HG1  VAL  46          1HG1      VAL  46   7.089 -14.589   2.319
  360   2HG1  VAL  46          2HG1      VAL  46   8.071 -14.585   0.855
  361   3HG1  VAL  46          3HG1      VAL  46   6.541 -15.462   0.889
  362   1HG2  VAL  46          1HG2      VAL  46   6.620 -11.878  -0.801
  363   2HG2  VAL  46          2HG2      VAL  46   7.688 -13.277  -0.910
  364   3HG2  VAL  46          3HG2      VAL  46   7.984 -12.034   0.305
  365    H    ASP  47           H        ASP  47   5.691 -13.476  -2.386
  366    HA   ASP  47           HA       ASP  47   5.787 -16.442  -2.846
  367   1HB   ASP  47          2HB       ASP  47   3.933 -14.776  -3.839
  368   2HB   ASP  47          1HB       ASP  47   5.191 -14.512  -5.048
  369    H    LEU  48           H        LEU  48   8.030 -14.715  -2.070
  370    HA   LEU  48           HA       LEU  48   9.632 -14.732  -4.607
  371   1HB   LEU  48          2HB       LEU  48   9.162 -12.536  -3.461
  372   2HB   LEU  48          1HB       LEU  48  10.048 -13.138  -2.059
  373    HG   LEU  48           HG       LEU  48  11.640 -13.598  -4.394
  374   1HD1  LEU  48          1HD1      LEU  48  10.058 -11.151  -4.472
  375   2HD1  LEU  48          2HD1      LEU  48  11.118 -11.835  -5.704
  376   3HD1  LEU  48          3HD1      LEU  48  11.788 -10.806  -4.438
  377   1HD2  LEU  48          1HD2      LEU  48  12.790 -11.524  -2.944
  378   2HD2  LEU  48          2HD2      LEU  48  13.021 -13.245  -2.632
  379   3HD2  LEU  48          3HD2      LEU  48  11.787 -12.347  -1.749
  380    H    PHE  49           H        PHE  49   9.837 -17.148  -3.913
  381    HA   PHE  49           HA       PHE  49  11.644 -17.630  -1.624
  382   1HB   PHE  49          2HB       PHE  49   9.880 -19.137  -3.457
  383   2HB   PHE  49          1HB       PHE  49  11.331 -20.005  -2.955
  384    HD1  PHE  49           HD1      PHE  49  10.605 -21.552  -1.334
  385    HD2  PHE  49           HD2      PHE  49   9.309 -17.464  -1.102
  386    HE1  PHE  49           HE1      PHE  49   9.574 -22.004   0.876
  387    HE2  PHE  49           HE2      PHE  49   8.277 -17.916   1.108
  388    HZ   PHE  49           HZ       PHE  49   8.410 -20.186   2.096
  389    H    TYR  50           H        TYR  50  11.778 -18.900  -4.961
  390    HA   TYR  50           HA       TYR  50  14.733 -18.791  -4.871
  391   1HB   TYR  50          2HB       TYR  50  12.642 -19.907  -6.756
  392   2HB   TYR  50          1HB       TYR  50  14.369 -19.983  -7.109
  393    HD1  TYR  50           HD1      TYR  50  15.590 -20.486  -4.518
  394    HD2  TYR  50           HD2      TYR  50  11.957 -22.074  -6.171
  395    HE1  TYR  50           HE1      TYR  50  15.803 -22.484  -3.064
  396    HE2  TYR  50           HE2      TYR  50  12.170 -24.073  -4.718
  397    HH   TYR  50           HH       TYR  50  13.482 -24.435  -2.274
  Start of MODEL   30
    1   1H    ARG   1          H1        ARG   1   5.107  10.212 -13.807
    2   2H    ARG   1          H2        ARG   1   4.781   9.773 -15.415
    3   3H    ARG   1          H3        ARG   1   3.691   9.357 -14.181
    4    HA   ARG   1           HA       ARG   1   4.278  12.203 -14.493
    5   1HB   ARG   1          2HB       ARG   1   2.880  10.415 -16.489
    6   2HB   ARG   1          1HB       ARG   1   2.514  12.137 -16.381
    7   1HG   ARG   1          2HG       ARG   1   4.632  12.772 -17.105
    8   2HG   ARG   1          1HG       ARG   1   5.379  11.267 -16.570
    9   1HD   ARG   1          2HD       ARG   1   4.982  10.252 -18.566
   10   2HD   ARG   1          1HD       ARG   1   3.314  10.856 -18.625
   11    HE   ARG   1           HE       ARG   1   4.378  13.104 -19.273
   12   1HH1  ARG   1          1HH2      ARG   1   4.513  10.631 -21.252
   13   2HH1  ARG   1          2HH2      ARG   1   6.068  10.931 -21.953
   14   1HH2  ARG   1          1HH1      ARG   1   6.994  13.262 -19.558
   15   2HH2  ARG   1          2HH1      ARG   1   7.472  12.421 -20.994
   16    H    LYS   2           H        LYS   2   2.336  13.395 -13.872
   17    HA   LYS   2           HA       LYS   2   0.466  13.722 -12.462
   18   1HB   LYS   2          2HB       LYS   2  -0.067  11.375 -14.235
   19   2HB   LYS   2          1HB       LYS   2  -1.222  11.698 -12.941
   20   1HG   LYS   2          2HG       LYS   2  -1.102  14.169 -13.809
   21   2HG   LYS   2          1HG       LYS   2  -0.483  13.428 -15.286
   22   1HD   LYS   2          2HD       LYS   2  -2.598  12.953 -15.884
   23   2HD   LYS   2          1HD       LYS   2  -2.709  11.871 -14.496
   24   1HE   LYS   2          2HE       LYS   2  -4.359  13.287 -13.789
   25   2HE   LYS   2          1HE       LYS   2  -3.026  14.366 -13.332
   26   1HZ   LYS   2          1HZ       LYS   2  -4.257  14.262 -16.035
   27   2HZ   LYS   2          2HZ       LYS   2  -3.063  15.349 -15.505
   28   3HZ   LYS   2          3HZ       LYS   2  -4.633  15.426 -14.861
   29    H    GLY   3           H        GLY   3   1.647  13.382 -10.457
   30   1HA   GLY   3          2HA       GLY   3   0.670  11.090  -8.930
   31   2HA   GLY   3          1HA       GLY   3   2.414  11.059  -9.199
   32    H    HIS   4           H        HIS   4  -0.134  12.473  -7.363
   33    HA   HIS   4           HA       HIS   4   1.874  13.919  -5.718
   34   1HB   HIS   4          2HB       HIS   4   0.284  15.942  -5.846
   35   2HB   HIS   4          1HB       HIS   4   1.252  15.609  -7.281
   36    HD1  HIS   4           HD1      HIS   4  -2.230  15.856  -6.100
   37    HD2  HIS   4           HD2      HIS   4  -0.257  14.222  -9.390
   38    HE1  HIS   4           HE1      HIS   4  -4.007  15.397  -7.846
   39    H    PHE   5           H        PHE   5   0.744  11.702  -4.745
   40    HA   PHE   5           HA       PHE   5  -1.634  12.585  -3.144
   41   1HB   PHE   5          2HB       PHE   5  -0.604   9.802  -3.795
   42   2HB   PHE   5          1HB       PHE   5  -2.137  10.191  -3.014
   43    HD1  PHE   5           HD1      PHE   5  -3.968  11.250  -4.268
   44    HD2  PHE   5           HD2      PHE   5  -0.286  10.139  -6.182
   45    HE1  PHE   5           HE1      PHE   5  -5.046  11.498  -6.487
   46    HE2  PHE   5           HE2      PHE   5  -1.364  10.388  -8.401
   47    HZ   PHE   5           HZ       PHE   5  -3.744  11.068  -8.554
   48    H    SER   6           H        SER   6  -0.993  10.076  -1.467
   49    HA   SER   6           HA       SER   6   1.442  10.990  -0.021
   50   1HB   SER   6          2HB       SER   6  -1.140  10.540   1.459
   51   2HB   SER   6          1HB       SER   6   0.267  11.475   1.957
   52    HG   SER   6           HG       SER   6  -0.497  13.140   0.918
   53    H    ARG   7           H        ARG   7   2.547   9.242   0.806
   54    HA   ARG   7           HA       ARG   7   1.368   6.548   0.455
   55   1HB   ARG   7          2HB       ARG   7   3.661   7.192  -0.323
   56   2HB   ARG   7          1HB       ARG   7   4.120   7.460   1.359
   57   1HG   ARG   7          2HG       ARG   7   2.847   4.867   1.010
   58   2HG   ARG   7          1HG       ARG   7   4.262   5.034  -0.030
   59   1HD   ARG   7          2HD       ARG   7   4.545   5.979   2.791
   60   2HD   ARG   7          1HD       ARG   7   4.500   4.226   2.518
   61    HE   ARG   7           HE       ARG   7   6.220   5.499   0.586
   62   1HH1  ARG   7          1HH1      ARG   7   6.296   5.702   3.933
   63   2HH1  ARG   7          2HH1      ARG   7   7.855   4.971   4.121
   64   1HH2  ARG   7          1HH2      ARG   7   8.113   4.038   0.790
   65   2HH2  ARG   7          2HH2      ARG   7   8.884   4.029   2.342
   66    H    CYS   8           H        CYS   8   0.473   5.463   2.165
   67    HA   CYS   8           HA       CYS   8   0.242   6.566   4.791
   68   1HB   CYS   8          2HB       CYS   8  -0.781   4.453   3.276
   69   2HB   CYS   8          1HB       CYS   8   0.036   3.656   4.620
   70    HA   PRO   9           HA       PRO   9   4.240   5.448   6.348
   71   1HB   PRO   9          2HB       PRO   9   3.749   6.023   8.977
   72   2HB   PRO   9          1HB       PRO   9   4.040   7.275   7.753
   73   1HG   PRO   9          2HG       PRO   9   1.473   6.339   8.929
   74   2HG   PRO   9          1HG       PRO   9   1.981   7.975   8.481
   75   1HD   PRO   9          2HD       PRO   9   0.316   6.434   6.959
   76   2HD   PRO   9          1HD       PRO   9   1.364   7.708   6.297
   77    H    LYS  10           H        LYS  10   5.121   3.863   7.976
   78    HA   LYS  10           HA       LYS  10   3.712   1.358   7.918
   79   1HB   LYS  10          2HB       LYS  10   6.090   1.366   7.994
   80   2HB   LYS  10          1HB       LYS  10   6.119   2.467   9.371
   81   1HG   LYS  10          2HG       LYS  10   5.605   0.803  10.893
   82   2HG   LYS  10          1HG       LYS  10   4.728  -0.159   9.703
   83   1HD   LYS  10          2HD       LYS  10   7.118  -0.358   8.579
   84   2HD   LYS  10          1HD       LYS  10   7.676  -0.008  10.216
   85   1HE   LYS  10          2HE       LYS  10   7.519  -2.379  10.168
   86   2HE   LYS  10          1HE       LYS  10   5.999  -1.881  10.936
   87   1HZ   LYS  10          1HZ       LYS  10   6.464  -2.662   8.121
   88   2HZ   LYS  10          2HZ       LYS  10   5.115  -1.731   8.566
   89   3HZ   LYS  10          3HZ       LYS  10   5.327  -3.287   9.214
   90    H    GLN  11           H        GLN  11   3.813   3.996  10.236
   91    HA   GLN  11           HA       GLN  11   2.859   2.585  12.546
   92   1HB   GLN  11          2HB       GLN  11   2.597   5.466  11.625
   93   2HB   GLN  11          1HB       GLN  11   2.257   4.910  13.265
   94   1HG   GLN  11          2HG       GLN  11   4.442   5.205  13.728
   95   2HG   GLN  11          1HG       GLN  11   4.782   3.848  12.652
   96   1HE2  GLN  11          1HE2      GLN  11   3.699   7.233  11.996
   97   2HE2  GLN  11          2HE2      GLN  11   4.952   7.573  10.901
   98    H    TYR  12           H        TYR  12   1.322   3.252   9.591
   99    HA   TYR  12           HA       TYR  12  -1.365   2.832  10.858
  100   1HB   TYR  12          2HB       TYR  12  -0.302   4.933   9.108
  101   2HB   TYR  12          1HB       TYR  12  -1.793   4.219   8.494
  102    HD1  TYR  12           HD1      TYR  12  -0.632   6.835  10.404
  103    HD2  TYR  12           HD2      TYR  12  -3.506   3.648  10.600
  104    HE1  TYR  12           HE1      TYR  12  -1.938   8.116  12.077
  105    HE2  TYR  12           HE2      TYR  12  -4.812   4.930  12.274
  106    HH   TYR  12           HH       TYR  12  -4.047   6.913  14.074
  107    H    LYS  13           H        LYS  13   0.912   1.344   9.079
  108    HA   LYS  13           HA       LYS  13  -0.810   0.320   6.902
  109   1HB   LYS  13          2HB       LYS  13   2.059   0.150   7.766
  110   2HB   LYS  13          1HB       LYS  13   1.437  -1.074   6.659
  111   1HG   LYS  13          2HG       LYS  13   0.657   0.718   5.135
  112   2HG   LYS  13          1HG       LYS  13   1.332   1.926   6.230
  113   1HD   LYS  13          2HD       LYS  13   3.501   1.449   5.643
  114   2HD   LYS  13          1HD       LYS  13   3.158  -0.257   5.355
  115   1HE   LYS  13          2HE       LYS  13   2.273   0.165   3.193
  116   2HE   LYS  13          1HE       LYS  13   2.077   1.899   3.524
  117   1HZ   LYS  13          1HZ       LYS  13   4.106   1.341   2.210
  118   2HZ   LYS  13          2HZ       LYS  13   4.695   0.498   3.563
  119   3HZ   LYS  13          3HZ       LYS  13   4.424   2.173   3.653
  120    H    HIS  14           H        HIS  14  -1.884  -0.325   9.431
  121    HA   HIS  14           HA       HIS  14  -1.002  -3.044  10.156
  122   1HB   HIS  14          2HB       HIS  14  -2.854  -0.930  11.144
  123   2HB   HIS  14          1HB       HIS  14  -3.263  -2.592  11.569
  124    HD1  HIS  14           HD1      HIS  14   0.267  -1.273  11.210
  125    HD2  HIS  14           HD2      HIS  14  -2.323  -2.552  14.216
  126    HE1  HIS  14           HE1      HIS  14   1.647  -1.424  13.328
  127    H    TYR  15           H        TYR  15  -3.126  -1.613   7.911
  128    HA   TYR  15           HA       TYR  15  -4.975  -3.926   7.809
  129   1HB   TYR  15          2HB       TYR  15  -5.935  -2.511   5.914
  130   2HB   TYR  15          1HB       TYR  15  -5.937  -1.737   7.497
  131    HD1  TYR  15           HD1      TYR  15  -5.140   0.440   7.627
  132    HD2  TYR  15           HD2      TYR  15  -3.639  -2.153   4.549
  133    HE1  TYR  15           HE1      TYR  15  -3.774   2.301   6.727
  134    HE2  TYR  15           HE2      TYR  15  -2.270  -0.288   3.648
  135    HH   TYR  15           HH       TYR  15  -1.268   2.031   4.916
  136    H    CYS  16           H        CYS  16  -1.879  -3.326   6.773
  137    HA   CYS  16           HA       CYS  16  -2.037  -5.437   4.722
  138   1HB   CYS  16          2HB       CYS  16  -1.726  -2.516   4.162
  139   2HB   CYS  16          1HB       CYS  16  -0.779  -3.639   3.187
  140    H    ILE  17           H        ILE  17  -0.227  -6.658   5.089
  141    HA   ILE  17           HA       ILE  17   1.975  -5.669   6.715
  142    HB   ILE  17           HB       ILE  17   1.439  -8.187   5.116
  143   1HG1  ILE  17          2HG1      ILE  17   1.430  -7.587   8.093
  144   2HG1  ILE  17          1HG1      ILE  17  -0.005  -7.777   7.085
  145   1HG2  ILE  17          1HG2      ILE  17   3.577  -7.935   7.219
  146   2HG2  ILE  17          2HG2      ILE  17   3.932  -7.514   5.545
  147   3HG2  ILE  17          3HG2      ILE  17   3.408  -9.148   5.951
  148   1HD1  ILE  17          1HD1      ILE  17   2.113  -9.922   7.372
  149   2HD1  ILE  17          2HD1      ILE  17   0.520 -10.081   6.631
  150   3HD1  ILE  17          3HD1      ILE  17   0.664  -9.853   8.375
  151    H    LYS  18           H        LYS  18   2.327  -7.307   3.563
  152    HA   LYS  18           HA       LYS  18   4.542  -5.421   2.921
  153   1HB   LYS  18          2HB       LYS  18   5.203  -7.171   1.360
  154   2HB   LYS  18          1HB       LYS  18   4.825  -7.915   2.913
  155   1HG   LYS  18          2HG       LYS  18   2.410  -8.142   1.901
  156   2HG   LYS  18          1HG       LYS  18   3.250  -7.972   0.359
  157   1HD   LYS  18          2HD       LYS  18   4.124  -9.960   2.462
  158   2HD   LYS  18          1HD       LYS  18   2.951 -10.364   1.208
  159   1HE   LYS  18          2HE       LYS  18   4.814 -10.942   0.000
  160   2HE   LYS  18          1HE       LYS  18   4.953  -9.194  -0.273
  161   1HZ   LYS  18          1HZ       LYS  18   6.344  -8.962   1.611
  162   2HZ   LYS  18          2HZ       LYS  18   6.973 -10.266   0.721
  163   3HZ   LYS  18          3HZ       LYS  18   6.054 -10.554   2.122
  164    H    GLY  19           H        GLY  19   2.504  -3.863   2.541
  165   1HA   GLY  19          2HA       GLY  19   2.170  -3.741  -0.383
  166   2HA   GLY  19          1HA       GLY  19   0.677  -3.898   0.542
  167    H    ARG  20           H        ARG  20   1.680  -1.617  -1.099
  168    HA   ARG  20           HA       ARG  20   2.063   0.488   0.983
  169   1HB   ARG  20          2HB       ARG  20   2.434   0.300  -2.014
  170   2HB   ARG  20          1HB       ARG  20   2.524   1.841  -1.159
  171   1HG   ARG  20          2HG       ARG  20   4.114   0.105   0.355
  172   2HG   ARG  20          1HG       ARG  20   4.503  -0.283  -1.322
  173   1HD   ARG  20          2HD       ARG  20   4.294   2.600  -0.930
  174   2HD   ARG  20          1HD       ARG  20   5.526   1.879   0.124
  175    HE   ARG  20           HE       ARG  20   5.519   1.774  -2.839
  176   1HH1  ARG  20          1HH1      ARG  20   7.607   2.387  -0.467
  177   2HH1  ARG  20          2HH1      ARG  20   8.764   1.152  -0.834
  178   1HH2  ARG  20          1HH2      ARG  20   6.675  -0.520  -3.041
  179   2HH2  ARG  20          2HH2      ARG  20   8.236  -0.494  -2.291
  180    H    CYS  21           H        CYS  21   0.385   1.881   1.452
  181    HA   CYS  21           HA       CYS  21  -2.097   1.648  -0.202
  182   1HB   CYS  21          2HB       CYS  21  -2.416   1.020   2.083
  183   2HB   CYS  21          1HB       CYS  21  -1.492   2.405   2.662
  184    H    ARG  22           H        ARG  22  -2.636   3.394  -1.439
  185    HA   ARG  22           HA       ARG  22  -1.182   5.960  -1.037
  186   1HB   ARG  22          2HB       ARG  22  -2.830   4.687  -3.229
  187   2HB   ARG  22          1HB       ARG  22  -2.377   6.390  -3.297
  188   1HG   ARG  22          2HG       ARG  22  -0.582   5.436  -4.416
  189   2HG   ARG  22          1HG       ARG  22   0.036   5.436  -2.764
  190   1HD   ARG  22          2HD       ARG  22   0.058   3.165  -2.678
  191   2HD   ARG  22          1HD       ARG  22  -1.569   3.051  -3.379
  192    HE   ARG  22           HE       ARG  22  -0.460   2.585  -5.406
  193   1HH1  ARG  22          1HH2      ARG  22   1.548   4.444  -3.329
  194   2HH1  ARG  22          2HH2      ARG  22   2.696   4.840  -4.563
  195   1HH2  ARG  22          1HH1      ARG  22   0.930   3.249  -7.087
  196   2HH2  ARG  22          2HH1      ARG  22   2.346   4.163  -6.691
  197    H    PHE  23           H        PHE  23  -2.249   7.205   0.497
  198    HA   PHE  23           HA       PHE  23  -5.216   7.217   0.571
  199   1HB   PHE  23          2HB       PHE  23  -3.443   7.100   2.524
  200   2HB   PHE  23          1HB       PHE  23  -3.403   8.852   2.320
  201    HD1  PHE  23           HD1      PHE  23  -5.971   9.803   1.859
  202    HD2  PHE  23           HD2      PHE  23  -4.865   6.388   4.219
  203    HE1  PHE  23           HE1      PHE  23  -8.085  10.004   3.141
  204    HE2  PHE  23           HE2      PHE  23  -6.978   6.589   5.500
  205    HZ   PHE  23           HZ       PHE  23  -8.588   8.396   4.962
  206    H    VAL  24           H        VAL  24  -6.211   8.669  -0.783
  207    HA   VAL  24           HA       VAL  24  -4.785  11.128  -1.628
  208    HB   VAL  24           HB       VAL  24  -7.539  10.086  -2.351
  209   1HG1  VAL  24          1HG1      VAL  24  -7.617  11.797  -3.825
  210   2HG1  VAL  24          2HG1      VAL  24  -5.973  11.483  -4.380
  211   3HG1  VAL  24          3HG1      VAL  24  -6.245  12.481  -2.953
  212   1HG2  VAL  24          1HG2      VAL  24  -6.277   9.180  -4.388
  213   2HG2  VAL  24          2HG2      VAL  24  -6.024   8.310  -2.875
  214   3HG2  VAL  24          3HG2      VAL  24  -4.798   9.435  -3.461
  215    H    VAL  25           H        VAL  25  -5.052  12.969  -0.446
  216    HA   VAL  25           HA       VAL  25  -7.126  13.203   1.601
  217    HB   VAL  25           HB       VAL  25  -5.212  15.296   0.540
  218   1HG1  VAL  25          1HG1      VAL  25  -5.549  15.232   3.387
  219   2HG1  VAL  25          2HG1      VAL  25  -7.142  15.237   2.632
  220   3HG1  VAL  25          3HG1      VAL  25  -5.987  16.517   2.263
  221   1HG2  VAL  25          1HG2      VAL  25  -3.643  13.691   1.032
  222   2HG2  VAL  25          2HG2      VAL  25  -4.735  12.803   2.095
  223   3HG2  VAL  25          3HG2      VAL  25  -3.925  14.256   2.679
  224    H    ALA  26           H        ALA  26  -6.273  15.414  -1.104
  225    HA   ALA  26           HA       ALA  26  -8.490  17.046  -1.190
  226   1HB   ALA  26          1HB       ALA  26  -6.572  15.910  -3.113
  227   2HB   ALA  26          2HB       ALA  26  -7.103  17.580  -2.919
  228   3HB   ALA  26          3HB       ALA  26  -8.076  16.449  -3.858
  229    H    GLU  27           H        GLU  27  -8.285  13.717  -2.373
  230    HA   GLU  27           HA       GLU  27 -11.274  13.679  -2.625
  231   1HB   GLU  27          2HB       GLU  27  -9.192  13.204  -4.533
  232   2HB   GLU  27          1HB       GLU  27  -9.993  11.665  -4.216
  233   1HG   GLU  27          2HG       GLU  27 -11.255  12.652  -5.971
  234   2HG   GLU  27          1HG       GLU  27 -12.204  12.945  -4.513
  235    H    GLN  28           H        GLN  28 -11.479  12.834  -0.465
  236    HA   GLN  28           HA       GLN  28 -10.122  10.972   0.970
  237   1HB   GLN  28          2HB       GLN  28 -12.423  10.155   1.697
  238   2HB   GLN  28          1HB       GLN  28 -12.200  11.905   1.732
  239   1HG   GLN  28          2HG       GLN  28 -13.076  11.123  -0.893
  240   2HG   GLN  28          1HG       GLN  28 -14.173  10.442   0.309
  241   1HE2  GLN  28          1HE2      GLN  28 -15.923  11.875   0.406
  242   2HE2  GLN  28          2HE2      GLN  28 -15.782  13.558   0.578
  243    H    THR  29           H        THR  29  -8.944   9.487  -0.389
  244    HA   THR  29           HA       THR  29 -10.582   7.146  -1.247
  245    HB   THR  29           HB       THR  29  -8.642   8.722  -2.965
  246    HG1  THR  29           1HG      THR  29 -11.295   8.030  -3.573
  247   1HG2  THR  29          1HG2      THR  29 -10.024   6.073  -3.454
  248   2HG2  THR  29          2HG2      THR  29  -8.287   6.364  -3.382
  249   3HG2  THR  29          3HG2      THR  29  -9.237   7.021  -4.715
  250    HA   PRO  30           HA       PRO  30  -6.686   5.930   0.852
  251   1HB   PRO  30          2HB       PRO  30  -7.847   4.154   2.573
  252   2HB   PRO  30          1HB       PRO  30  -7.722   5.889   2.920
  253   1HG   PRO  30          2HG       PRO  30 -10.060   4.304   2.037
  254   2HG   PRO  30          1HG       PRO  30  -9.988   5.735   3.072
  255   1HD   PRO  30          2HD       PRO  30 -10.725   5.714   0.392
  256   2HD   PRO  30          1HD       PRO  30 -10.221   7.146   1.315
  257    H    SER  31           H        SER  31  -6.172   4.858  -1.210
  258    HA   SER  31           HA       SER  31  -7.388   2.213  -1.741
  259   1HB   SER  31          2HB       SER  31  -6.583   4.191  -3.348
  260   2HB   SER  31          1HB       SER  31  -5.048   3.335  -3.236
  261    HG   SER  31           HG       SER  31  -5.887   1.673  -4.277
  262    H    CYS  32           H        CYS  32  -6.228   0.244  -1.554
  263    HA   CYS  32           HA       CYS  32  -3.529   0.441  -0.254
  264   1HB   CYS  32          2HB       CYS  32  -4.320  -1.595   1.041
  265   2HB   CYS  32          1HB       CYS  32  -5.187  -0.103   1.408
  266    H    VAL  33           H        VAL  33  -2.196  -0.240  -1.921
  267    HA   VAL  33           HA       VAL  33  -2.963  -2.707  -3.434
  268    HB   VAL  33           HB       VAL  33  -0.948  -0.492  -3.947
  269   1HG1  VAL  33          1HG1      VAL  33  -1.697  -2.278  -6.156
  270   2HG1  VAL  33          2HG1      VAL  33  -0.815  -3.093  -4.863
  271   3HG1  VAL  33          3HG1      VAL  33  -0.103  -1.697  -5.672
  272   1HG2  VAL  33          1HG2      VAL  33  -3.168  -1.012  -5.827
  273   2HG2  VAL  33          2HG2      VAL  33  -2.542   0.523  -5.223
  274   3HG2  VAL  33          3HG2      VAL  33  -3.671  -0.417  -4.245
  275    H    CYS  34           H        CYS  34  -1.375  -4.423  -3.574
  276    HA   CYS  34           HA       CYS  34   0.762  -4.270  -1.472
  277   1HB   CYS  34          2HB       CYS  34  -1.190  -6.381  -2.344
  278   2HB   CYS  34          1HB       CYS  34   0.325  -6.864  -1.581
  279    H    ASP  35           H        ASP  35   2.647  -5.763  -1.947
  280    HA   ASP  35           HA       ASP  35   3.896  -5.227  -4.412
  281   1HB   ASP  35          2HB       ASP  35   4.276  -6.858  -2.049
  282   2HB   ASP  35          1HB       ASP  35   4.837  -7.722  -3.479
  283    H    GLU  36           H        GLU  36   3.220  -5.851  -6.426
  284    HA   GLU  36           HA       GLU  36   1.246  -7.623  -7.178
  285   1HB   GLU  36          2HB       GLU  36   3.343  -6.185  -8.365
  286   2HB   GLU  36          1HB       GLU  36   3.567  -7.844  -8.923
  287   1HG   GLU  36          2HG       GLU  36   2.037  -7.195 -10.502
  288   2HG   GLU  36          1HG       GLU  36   0.895  -7.637  -9.233
  289    H    GLY  37           H        GLY  37   4.609  -8.450  -6.367
  290   1HA   GLY  37          2HA       GLY  37   4.093 -11.309  -6.907
  291   2HA   GLY  37          1HA       GLY  37   5.642 -10.610  -6.433
  292    H    TYR  38           H        TYR  38   2.431 -10.377  -4.882
  293    HA   TYR  38           HA       TYR  38   3.669 -11.622  -2.451
  294   1HB   TYR  38          2HB       TYR  38   2.881  -9.869  -1.171
  295   2HB   TYR  38          1HB       TYR  38   3.061  -9.018  -2.701
  296    HD1  TYR  38           HD1      TYR  38   0.964  -9.166  -0.063
  297    HD2  TYR  38           HD2      TYR  38   0.813  -9.758  -4.313
  298    HE1  TYR  38           HE1      TYR  38  -1.460  -8.652  -0.048
  299    HE2  TYR  38           HE2      TYR  38  -1.610  -9.246  -4.299
  300    HH   TYR  38           HH       TYR  38  -3.418  -8.961  -2.986
  301    H    ILE  39           H        ILE  39   1.980 -12.583  -0.962
  302    HA   ILE  39           HA       ILE  39  -0.566 -13.360  -2.282
  303    HB   ILE  39           HB       ILE  39   1.421 -15.387  -1.217
  304   1HG1  ILE  39          2HG1      ILE  39   0.934 -14.475  -4.071
  305   2HG1  ILE  39          1HG1      ILE  39   2.420 -14.255  -3.147
  306   1HG2  ILE  39          1HG2      ILE  39  -0.167 -16.650  -3.036
  307   2HG2  ILE  39          2HG2      ILE  39  -1.292 -15.451  -2.399
  308   3HG2  ILE  39          3HG2      ILE  39  -0.513 -16.595  -1.307
  309   1HD1  ILE  39          1HD1      ILE  39   1.513 -17.040  -3.191
  310   2HD1  ILE  39          2HD1      ILE  39   3.107 -16.373  -3.547
  311   3HD1  ILE  39          3HD1      ILE  39   1.866 -16.408  -4.800
  312    H    GLY  40           H        GLY  40  -2.140 -14.100  -0.747
  313   1HA   GLY  40          2HA       GLY  40  -2.616 -14.919   1.561
  314   2HA   GLY  40          1HA       GLY  40  -1.317 -13.864   2.120
  315    H    ALA  41           H        ALA  41  -4.183 -13.879   2.901
  316    HA   ALA  41           HA       ALA  41  -5.479 -11.570   1.713
  317   1HB   ALA  41          1HB       ALA  41  -5.835 -13.341   4.119
  318   2HB   ALA  41          2HB       ALA  41  -6.900 -13.139   2.728
  319   3HB   ALA  41          3HB       ALA  41  -6.813 -11.882   3.961
  320    H    ARG  42           H        ARG  42  -3.385 -12.098   4.523
  321    HA   ARG  42           HA       ARG  42  -3.668  -9.284   5.400
  322   1HB   ARG  42          2HB       ARG  42  -2.000 -11.621   6.391
  323   2HB   ARG  42          1HB       ARG  42  -2.222 -10.092   7.244
  324   1HG   ARG  42          2HG       ARG  42  -4.817 -10.986   6.597
  325   2HG   ARG  42          1HG       ARG  42  -3.956 -12.407   7.189
  326   1HD   ARG  42          2HD       ARG  42  -4.117 -11.643   9.312
  327   2HD   ARG  42          1HD       ARG  42  -3.301 -10.136   8.850
  328    HE   ARG  42           HE       ARG  42  -6.219 -10.524   8.313
  329   1HH1  ARG  42          1HH1      ARG  42  -4.875  -9.417  10.967
  330   2HH1  ARG  42          2HH1      ARG  42  -5.201  -7.730  10.749
  331   1HH2  ARG  42          1HH2      ARG  42  -6.075  -8.058   7.409
  332   2HH2  ARG  42          2HH2      ARG  42  -5.880  -6.960   8.735
  333    H    CYS  43           H        CYS  43  -1.919 -10.855   3.048
  334    HA   CYS  43           HA       CYS  43  -0.083 -10.131   1.741
  335   1HB   CYS  43          2HB       CYS  43   0.135  -7.799   3.655
  336   2HB   CYS  43          1HB       CYS  43   0.543  -7.847   1.943
  337    H    GLU  44           H        GLU  44   0.235 -11.928   3.989
  338    HA   GLU  44           HA       GLU  44   2.841 -11.112   5.187
  339   1HB   GLU  44          2HB       GLU  44   0.928 -11.907   6.595
  340   2HB   GLU  44          1HB       GLU  44   1.001 -13.458   5.758
  341   1HG   GLU  44          2HG       GLU  44   3.609 -12.571   6.770
  342   2HG   GLU  44          1HG       GLU  44   2.416 -12.816   8.046
  343    H    ARG  45           H        ARG  45   1.483 -13.161   2.749
  344    HA   ARG  45           HA       ARG  45   3.880 -14.926   2.688
  345   1HB   ARG  45          2HB       ARG  45   1.074 -15.056   1.990
  346   2HB   ARG  45          1HB       ARG  45   2.060 -15.491   0.594
  347   1HG   ARG  45          2HG       ARG  45   3.301 -17.119   1.990
  348   2HG   ARG  45          1HG       ARG  45   2.275 -16.705   3.365
  349   1HD   ARG  45          2HD       ARG  45   0.951 -18.416   2.621
  350   2HD   ARG  45          1HD       ARG  45   0.415 -17.256   1.389
  351    HE   ARG  45           HE       ARG  45   2.723 -18.209   0.283
  352   1HH1  ARG  45          1HH1      ARG  45  -0.260 -19.091  -0.251
  353   2HH1  ARG  45          2HH1      ARG  45  -0.033 -20.807  -0.323
  354   1HH2  ARG  45          1HH2      ARG  45   3.149 -20.710   1.054
  355   2HH2  ARG  45          2HH2      ARG  45   1.897 -21.723   0.416
  356    H    VAL  46           H        VAL  46   4.930 -15.233   0.507
  357    HA   VAL  46           HA       VAL  46   4.602 -12.977  -1.396
  358    HB   VAL  46           HB       VAL  46   6.176 -12.214   0.345
  359   1HG1  VAL  46          1HG1      VAL  46   7.174 -14.072   1.305
  360   2HG1  VAL  46          2HG1      VAL  46   8.464 -13.558   0.220
  361   3HG1  VAL  46          3HG1      VAL  46   7.398 -14.883  -0.245
  362   1HG2  VAL  46          1HG2      VAL  46   8.083 -11.693  -1.136
  363   2HG2  VAL  46          2HG2      VAL  46   6.553 -11.517  -1.997
  364   3HG2  VAL  46          3HG2      VAL  46   7.555 -12.944  -2.260
  365    H    ASP  47           H        ASP  47   5.614 -13.433  -3.463
  366    HA   ASP  47           HA       ASP  47   6.394 -16.309  -3.820
  367   1HB   ASP  47          2HB       ASP  47   4.138 -15.181  -4.707
  368   2HB   ASP  47          1HB       ASP  47   5.201 -14.667  -6.017
  369    H    LEU  48           H        LEU  48   8.663 -15.493  -3.498
  370    HA   LEU  48           HA       LEU  48   9.793 -14.563  -6.087
  371   1HB   LEU  48          2HB       LEU  48   9.314 -12.557  -4.717
  372   2HB   LEU  48          1HB       LEU  48  10.267 -13.236  -3.397
  373    HG   LEU  48           HG       LEU  48  11.840 -13.336  -5.788
  374   1HD1  LEU  48          1HD1      LEU  48  11.254 -11.462  -6.890
  375   2HD1  LEU  48          2HD1      LEU  48  11.740 -10.532  -5.474
  376   3HD1  LEU  48          3HD1      LEU  48  10.067 -11.058  -5.651
  377   1HD2  LEU  48          1HD2      LEU  48  12.997 -11.433  -4.230
  378   2HD2  LEU  48          2HD2      LEU  48  13.135 -13.162  -3.908
  379   3HD2  LEU  48          3HD2      LEU  48  11.934 -12.197  -3.048
  380    H    PHE  49           H        PHE  49  10.351 -16.997  -5.769
  381    HA   PHE  49           HA       PHE  49  12.274 -17.756  -3.743
  382   1HB   PHE  49          2HB       PHE  49  10.955 -18.858  -6.145
  383   2HB   PHE  49          1HB       PHE  49  12.549 -19.537  -5.817
  384    HD1  PHE  49           HD1      PHE  49   9.210 -20.108  -5.253
  385    HD2  PHE  49           HD2      PHE  49  12.899 -19.810  -3.071
  386    HE1  PHE  49           HE1      PHE  49   8.248 -21.497  -3.436
  387    HE2  PHE  49           HE2      PHE  49  11.938 -21.198  -1.255
  388    HZ   PHE  49           HZ       PHE  49   9.612 -22.042  -1.438
  389    H    TYR  50           H        TYR  50  12.573 -16.872  -7.198
  390    HA   TYR  50           HA       TYR  50  15.481 -17.097  -7.191
  391   1HB   TYR  50          2HB       TYR  50  15.148 -16.032  -9.459
  392   2HB   TYR  50          1HB       TYR  50  14.183 -17.485  -9.202
  393    HD1  TYR  50           HD1      TYR  50  11.901 -17.401  -9.666
  394    HD2  TYR  50           HD2      TYR  50  13.978 -13.771  -8.688
  395    HE1  TYR  50           HE1      TYR  50   9.829 -16.103 -10.085
  396    HE2  TYR  50           HE2      TYR  50  11.907 -12.473  -9.107
  397    HH   TYR  50           HH       TYR  50   9.642 -12.660  -9.363
  Start of MODEL   31
    1   1H    ARG   1          H1        ARG   1   8.825  10.538 -12.498
    2   2H    ARG   1          H2        ARG   1   7.246  11.081 -12.814
    3   3H    ARG   1          H3        ARG   1   7.635   9.436 -12.995
    4    HA   ARG   1           HA       ARG   1   7.488   9.000 -10.787
    5   1HB   ARG   1          2HB       ARG   1   8.761  11.721 -10.707
    6   2HB   ARG   1          1HB       ARG   1   8.093  11.041  -9.222
    7   1HG   ARG   1          2HG       ARG   1  10.140   9.689 -11.008
    8   2HG   ARG   1          1HG       ARG   1  10.484  10.466  -9.463
    9   1HD   ARG   1          2HD       ARG   1   8.329   8.670  -8.995
   10   2HD   ARG   1          1HD       ARG   1   9.554   7.784  -9.925
   11    HE   ARG   1           HE       ARG   1   9.892   8.786  -7.215
   12   1HH1  ARG   1          1HH2      ARG   1  11.214   6.513  -9.008
   13   2HH1  ARG   1          2HH2      ARG   1  12.873   6.984  -8.849
   14   1HH2  ARG   1          1HH1      ARG   1  12.136  10.102  -7.520
   15   2HH2  ARG   1          2HH1      ARG   1  13.396   9.016  -8.007
   16    H    LYS   2           H        LYS   2   6.767  12.384 -10.219
   17    HA   LYS   2           HA       LYS   2   4.713  13.495  -9.840
   18   1HB   LYS   2          2HB       LYS   2   4.466  12.116 -12.153
   19   2HB   LYS   2          1HB       LYS   2   3.214  11.314 -11.204
   20   1HG   LYS   2          2HG       LYS   2   2.095  13.404 -10.771
   21   2HG   LYS   2          1HG       LYS   2   3.430  14.324 -11.466
   22   1HD   LYS   2          2HD       LYS   2   2.852  12.708 -13.559
   23   2HD   LYS   2          1HD       LYS   2   1.252  12.829 -12.824
   24   1HE   LYS   2          2HE       LYS   2   1.323  15.263 -12.936
   25   2HE   LYS   2          1HE       LYS   2   2.997  15.219 -13.526
   26   1HZ   LYS   2          1HZ       LYS   2   1.001  13.598 -14.926
   27   2HZ   LYS   2          2HZ       LYS   2   2.377  14.387 -15.537
   28   3HZ   LYS   2          3HZ       LYS   2   0.969  15.273 -15.190
   29    H    GLY   3           H        GLY   3   3.760  13.430  -7.847
   30   1HA   GLY   3          2HA       GLY   3   2.281  11.066  -6.967
   31   2HA   GLY   3          1HA       GLY   3   3.734  11.382  -6.018
   32    H    HIS   4           H        HIS   4   0.756  12.976  -7.172
   33    HA   HIS   4           HA       HIS   4   0.983  15.064  -5.101
   34   1HB   HIS   4          2HB       HIS   4   0.094  15.179  -7.562
   35   2HB   HIS   4          1HB       HIS   4  -1.394  14.525  -6.872
   36    HD1  HIS   4           HD1      HIS   4  -2.880  16.118  -5.586
   37    HD2  HIS   4           HD2      HIS   4   0.862  17.764  -6.409
   38    HE1  HIS   4           HE1      HIS   4  -3.000  18.553  -4.896
   39    H    PHE   5           H        PHE   5   0.893  12.739  -3.705
   40    HA   PHE   5           HA       PHE   5  -1.801  12.830  -2.457
   41   1HB   PHE   5          2HB       PHE   5  -0.463  10.280  -3.416
   42   2HB   PHE   5          1HB       PHE   5  -2.055  10.413  -2.669
   43    HD1  PHE   5           HD1      PHE   5  -3.799  11.920  -3.851
   44    HD2  PHE   5           HD2      PHE   5  -0.229  10.469  -5.746
   45    HE1  PHE   5           HE1      PHE   5  -4.808  12.346  -6.077
   46    HE2  PHE   5           HE2      PHE   5  -1.236  10.895  -7.972
   47    HZ   PHE   5           HZ       PHE   5  -3.526  11.834  -8.137
   48    H    SER   6           H        SER   6  -1.300  10.485  -0.849
   49    HA   SER   6           HA       SER   6   1.217  11.144   0.614
   50   1HB   SER   6          2HB       SER   6  -1.463  10.854   1.982
   51   2HB   SER   6          1HB       SER   6   0.027  11.520   2.645
   52    HG   SER   6           HG       SER   6  -0.702  13.363   1.963
   53    H    ARG   7           H        ARG   7   2.258   9.219   0.922
   54    HA   ARG   7           HA       ARG   7   0.840   6.667   0.655
   55   1HB   ARG   7          2HB       ARG   7   3.495   7.732   0.471
   56   2HB   ARG   7          1HB       ARG   7   3.516   6.391   1.616
   57   1HG   ARG   7          2HG       ARG   7   3.254   4.878  -0.033
   58   2HG   ARG   7          1HG       ARG   7   1.881   5.761  -0.702
   59   1HD   ARG   7          2HD       ARG   7   3.184   6.461  -2.414
   60   2HD   ARG   7          1HD       ARG   7   4.262   7.265  -1.257
   61    HE   ARG   7           HE       ARG   7   5.107   4.743  -0.944
   62   1HH1  ARG   7          1HH2      ARG   7   6.645   6.483  -2.812
   63   2HH1  ARG   7          2HH2      ARG   7   6.625   5.562  -4.279
   64   1HH2  ARG   7          1HH1      ARG   7   4.014   3.516  -3.269
   65   2HH2  ARG   7          2HH1      ARG   7   5.135   3.882  -4.538
   66    H    CYS   8           H        CYS   8   0.230   5.324   2.340
   67    HA   CYS   8           HA       CYS   8   0.026   6.357   5.018
   68   1HB   CYS   8          2HB       CYS   8  -0.916   4.197   3.438
   69   2HB   CYS   8          1HB       CYS   8  -0.162   3.483   4.863
   70    HA   PRO   9           HA       PRO   9   4.083   5.266   6.412
   71   1HB   PRO   9          2HB       PRO   9   3.636   5.625   9.089
   72   2HB   PRO   9          1HB       PRO   9   3.845   6.975   7.955
   73   1HG   PRO   9          2HG       PRO   9   1.348   5.848   9.115
   74   2HG   PRO   9          1HG       PRO   9   1.779   7.532   8.780
   75   1HD   PRO   9          2HD       PRO   9   0.138   6.040   7.184
   76   2HD   PRO   9          1HD       PRO   9   1.117   7.402   6.596
   77    H    LYS  10           H        LYS  10   5.079   3.565   7.802
   78    HA   LYS  10           HA       LYS  10   3.690   1.046   7.657
   79   1HB   LYS  10          2HB       LYS  10   6.123   1.288   7.526
   80   2HB   LYS  10          1HB       LYS  10   6.166   1.964   9.155
   81   1HG   LYS  10          2HG       LYS  10   4.761  -0.439   9.435
   82   2HG   LYS  10          1HG       LYS  10   6.080  -0.823   8.328
   83   1HD   LYS  10          2HD       LYS  10   7.011   0.868  10.495
   84   2HD   LYS  10          1HD       LYS  10   6.254  -0.597  11.120
   85   1HE   LYS  10          2HE       LYS  10   8.159  -1.715  10.620
   86   2HE   LYS  10          1HE       LYS  10   7.837  -1.400   8.902
   87   1HZ   LYS  10          1HZ       LYS  10   9.537   0.073  10.772
   88   2HZ   LYS  10          2HZ       LYS  10   8.691   0.978   9.609
   89   3HZ   LYS  10          3HZ       LYS  10   9.769  -0.242   9.122
   90    H    GLN  11           H        GLN  11   4.125   3.436  10.222
   91    HA   GLN  11           HA       GLN  11   3.308   1.833  12.448
   92   1HB   GLN  11          2HB       GLN  11   3.290   4.774  11.758
   93   2HB   GLN  11          1HB       GLN  11   2.700   4.202  13.320
   94   1HG   GLN  11          2HG       GLN  11   5.072   2.843  13.101
   95   2HG   GLN  11          1HG       GLN  11   5.463   4.367  12.302
   96   1HE2  GLN  11          1HE2      GLN  11   6.828   4.134  14.592
   97   2HE2  GLN  11          2HE2      GLN  11   6.128   5.011  15.866
   98    H    TYR  12           H        TYR  12   1.535   2.921   9.742
   99    HA   TYR  12           HA       TYR  12  -1.043   2.439  11.203
  100   1HB   TYR  12          2HB       TYR  12  -0.069   4.613   9.442
  101   2HB   TYR  12          1HB       TYR  12  -1.708   4.056   9.108
  102    HD1  TYR  12           HD1      TYR  12   0.107   6.375  10.950
  103    HD2  TYR  12           HD2      TYR  12  -3.090   3.543  11.408
  104    HE1  TYR  12           HE1      TYR  12  -0.726   7.633  12.917
  105    HE2  TYR  12           HE2      TYR  12  -3.922   4.801  13.377
  106    HH   TYR  12           HH       TYR  12  -2.100   7.150  14.960
  107    H    LYS  13           H        LYS  13   1.028   1.164   8.976
  108    HA   LYS  13           HA       LYS  13  -0.991   0.324   6.984
  109   1HB   LYS  13          2HB       LYS  13   1.907   0.513   7.262
  110   2HB   LYS  13          1HB       LYS  13   1.419  -1.038   6.580
  111   1HG   LYS  13          2HG       LYS  13   0.316  -0.024   4.754
  112   2HG   LYS  13          1HG       LYS  13   0.265   1.549   5.549
  113   1HD   LYS  13          2HD       LYS  13   1.996   1.491   3.782
  114   2HD   LYS  13          1HD       LYS  13   2.711   1.733   5.376
  115   1HE   LYS  13          2HE       LYS  13   2.650  -1.030   5.163
  116   2HE   LYS  13          1HE       LYS  13   3.060  -0.509   3.517
  117   1HZ   LYS  13          1HZ       LYS  13   5.106  -0.439   4.546
  118   2HZ   LYS  13          2HZ       LYS  13   4.467   0.051   6.043
  119   3HZ   LYS  13          3HZ       LYS  13   4.579   1.159   4.760
  120    H    HIS  14           H        HIS  14  -1.922  -0.671   9.304
  121    HA   HIS  14           HA       HIS  14  -0.774  -3.330   9.867
  122   1HB   HIS  14          2HB       HIS  14  -2.982  -1.571  10.911
  123   2HB   HIS  14          1HB       HIS  14  -2.955  -3.278  11.354
  124    HD1  HIS  14           HD1      HIS  14  -2.407  -0.986  13.434
  125    HD2  HIS  14           HD2      HIS  14   0.551  -3.125  11.421
  126    HE1  HIS  14           HE1      HIS  14  -0.310  -0.808  14.843
  127    H    TYR  15           H        TYR  15  -3.033  -1.963   7.705
  128    HA   TYR  15           HA       TYR  15  -4.624  -4.443   7.411
  129   1HB   TYR  15          2HB       TYR  15  -5.747  -3.005   5.647
  130   2HB   TYR  15          1HB       TYR  15  -5.776  -2.315   7.269
  131    HD1  TYR  15           HD1      TYR  15  -5.108  -0.100   7.535
  132    HD2  TYR  15           HD2      TYR  15  -3.584  -2.367   4.221
  133    HE1  TYR  15           HE1      TYR  15  -3.926   1.914   6.700
  134    HE2  TYR  15           HE2      TYR  15  -2.403  -0.354   3.385
  135    HH   TYR  15           HH       TYR  15  -1.498   1.935   4.731
  136    H    CYS  16           H        CYS  16  -1.620  -3.369   6.420
  137    HA   CYS  16           HA       CYS  16  -1.492  -5.377   4.273
  138   1HB   CYS  16          2HB       CYS  16  -1.635  -2.423   3.837
  139   2HB   CYS  16          1HB       CYS  16  -0.535  -3.344   2.812
  140    H    ILE  17           H        ILE  17   0.306  -6.361   5.216
  141    HA   ILE  17           HA       ILE  17   2.460  -4.925   6.493
  142    HB   ILE  17           HB       ILE  17   2.256  -7.717   5.320
  143   1HG1  ILE  17          2HG1      ILE  17   0.547  -7.171   7.039
  144   2HG1  ILE  17          1HG1      ILE  17   1.698  -8.372   7.622
  145   1HG2  ILE  17          1HG2      ILE  17   4.014  -8.035   7.270
  146   2HG2  ILE  17          2HG2      ILE  17   4.316  -6.320   6.993
  147   3HG2  ILE  17          3HG2      ILE  17   4.541  -7.479   5.682
  148   1HD1  ILE  17          1HD1      ILE  17   3.014  -6.287   8.516
  149   2HD1  ILE  17          2HD1      ILE  17   1.617  -6.876   9.417
  150   3HD1  ILE  17          3HD1      ILE  17   1.459  -5.470   8.365
  151    H    LYS  18           H        LYS  18   2.784  -7.007   3.602
  152    HA   LYS  18           HA       LYS  18   4.965  -5.256   2.624
  153   1HB   LYS  18          2HB       LYS  18   5.378  -7.122   1.108
  154   2HB   LYS  18          1HB       LYS  18   5.112  -7.759   2.730
  155   1HG   LYS  18          2HG       LYS  18   2.655  -8.031   2.057
  156   2HG   LYS  18          1HG       LYS  18   3.186  -7.744   0.400
  157   1HD   LYS  18          2HD       LYS  18   4.511  -9.828   2.133
  158   2HD   LYS  18          1HD       LYS  18   3.062 -10.198   1.197
  159   1HE   LYS  18          2HE       LYS  18   4.722 -10.758  -0.352
  160   2HE   LYS  18          1HE       LYS  18   4.471  -9.051  -0.765
  161   1HZ   LYS  18          1HZ       LYS  18   6.844 -10.038  -0.067
  162   2HZ   LYS  18          2HZ       LYS  18   6.264  -9.576   1.462
  163   3HZ   LYS  18          3HZ       LYS  18   6.389  -8.429   0.214
  164    H    GLY  19           H        GLY  19   2.654  -3.814   2.472
  165   1HA   GLY  19          2HA       GLY  19   2.276  -3.580  -0.445
  166   2HA   GLY  19          1HA       GLY  19   0.818  -3.896   0.497
  167    H    ARG  20           H        ARG  20   2.040  -1.440  -1.014
  168    HA   ARG  20           HA       ARG  20   1.969   0.542   1.212
  169   1HB   ARG  20          2HB       ARG  20   2.773   0.604  -1.708
  170   2HB   ARG  20          1HB       ARG  20   2.736   2.049  -0.698
  171   1HG   ARG  20          2HG       ARG  20   4.710   1.517   0.242
  172   2HG   ARG  20          1HG       ARG  20   4.124  -0.092   0.666
  173   1HD   ARG  20          2HD       ARG  20   4.603  -0.850  -1.669
  174   2HD   ARG  20          1HD       ARG  20   5.302   0.746  -2.008
  175    HE   ARG  20           HE       ARG  20   6.388  -1.200  -0.019
  176   1HH1  ARG  20          1HH1      ARG  20   7.897  -0.418  -2.505
  177   2HH1  ARG  20          2HH1      ARG  20   8.986   0.782  -1.896
  178   1HH2  ARG  20          1HH2      ARG  20   7.225   1.265   1.052
  179   2HH2  ARG  20          2HH2      ARG  20   8.606   1.738   0.118
  180    H    CYS  21           H        CYS  21   0.091   1.654   1.576
  181    HA   CYS  21           HA       CYS  21  -2.025   1.591  -0.534
  182   1HB   CYS  21          2HB       CYS  21  -2.697   0.631   1.561
  183   2HB   CYS  21          1HB       CYS  21  -2.000   1.973   2.469
  184    H    ARG  22           H        ARG  22  -2.411   3.472  -1.617
  185    HA   ARG  22           HA       ARG  22  -1.172   5.988  -0.660
  186   1HB   ARG  22          2HB       ARG  22  -1.253   4.885  -3.067
  187   2HB   ARG  22          1HB       ARG  22  -2.820   5.690  -3.152
  188   1HG   ARG  22          2HG       ARG  22  -1.795   7.638  -3.604
  189   2HG   ARG  22          1HG       ARG  22  -0.948   7.547  -2.060
  190   1HD   ARG  22          2HD       ARG  22   0.768   7.659  -3.740
  191   2HD   ARG  22          1HD       ARG  22   0.701   5.955  -3.246
  192    HE   ARG  22           HE       ARG  22  -0.427   5.430  -5.305
  193   1HH1  ARG  22          1HH1      ARG  22   1.589   7.800  -5.945
  194   2HH1  ARG  22          2HH1      ARG  22   0.630   8.661  -7.101
  195   1HH2  ARG  22          1HH2      ARG  22  -2.295   6.966  -6.331
  196   2HH2  ARG  22          2HH2      ARG  22  -1.569   8.189  -7.321
  197    H    PHE  23           H        PHE  23  -2.416   7.134   0.783
  198    HA   PHE  23           HA       PHE  23  -5.380   7.013   0.600
  199   1HB   PHE  23          2HB       PHE  23  -3.772   6.838   2.694
  200   2HB   PHE  23          1HB       PHE  23  -3.803   8.599   2.606
  201    HD1  PHE  23           HD1      PHE  23  -6.355   9.483   2.006
  202    HD2  PHE  23           HD2      PHE  23  -5.308   5.931   4.185
  203    HE1  PHE  23           HE1      PHE  23  -8.577   9.503   3.107
  204    HE2  PHE  23           HE2      PHE  23  -7.530   5.951   5.285
  205    HZ   PHE  23           HZ       PHE  23  -9.164   7.737   4.747
  206    H    VAL  24           H        VAL  24  -6.078   8.424  -1.020
  207    HA   VAL  24           HA       VAL  24  -4.750  10.993  -1.496
  208    HB   VAL  24           HB       VAL  24  -7.399   9.909  -2.504
  209   1HG1  VAL  24          1HG1      VAL  24  -5.855  11.439  -4.389
  210   2HG1  VAL  24          2HG1      VAL  24  -6.027  12.366  -2.899
  211   3HG1  VAL  24          3HG1      VAL  24  -7.460  11.786  -3.747
  212   1HG2  VAL  24          1HG2      VAL  24  -5.611   9.447  -4.502
  213   2HG2  VAL  24          2HG2      VAL  24  -6.050   8.236  -3.297
  214   3HG2  VAL  24          3HG2      VAL  24  -4.580   9.189  -3.094
  215    H    VAL  25           H        VAL  25  -5.092  12.667  -0.098
  216    HA   VAL  25           HA       VAL  25  -7.427  12.804   1.651
  217    HB   VAL  25           HB       VAL  25  -5.262  14.839   1.025
  218   1HG1  VAL  25          1HG1      VAL  25  -6.568  16.082   2.409
  219   2HG1  VAL  25          2HG1      VAL  25  -5.930  15.046   3.686
  220   3HG1  VAL  25          3HG1      VAL  25  -7.488  14.677   2.948
  221   1HG2  VAL  25          1HG2      VAL  25  -4.553  12.450   1.744
  222   2HG2  VAL  25          2HG2      VAL  25  -5.258  12.861   3.308
  223   3HG2  VAL  25          3HG2      VAL  25  -3.911  13.806   2.671
  224    H    ALA  26           H        ALA  26  -6.158  15.130  -0.786
  225    HA   ALA  26           HA       ALA  26  -8.301  16.863  -1.025
  226   1HB   ALA  26          1HB       ALA  26  -6.286  15.681  -2.888
  227   2HB   ALA  26          2HB       ALA  26  -6.531  17.366  -2.430
  228   3HB   ALA  26          3HB       ALA  26  -7.598  16.609  -3.613
  229    H    GLU  27           H        GLU  27  -7.977  13.684  -2.593
  230    HA   GLU  27           HA       GLU  27 -10.915  13.743  -3.197
  231   1HB   GLU  27          2HB       GLU  27  -8.532  13.151  -4.727
  232   2HB   GLU  27          1HB       GLU  27  -9.570  11.726  -4.669
  233   1HG   GLU  27          2HG       GLU  27 -11.112  12.674  -6.022
  234   2HG   GLU  27          1HG       GLU  27 -11.087  14.185  -5.111
  235    H    GLN  28           H        GLN  28 -11.471  12.856  -1.108
  236    HA   GLN  28           HA       GLN  28 -10.450  10.894   0.458
  237   1HB   GLN  28          2HB       GLN  28 -13.120  11.765  -0.373
  238   2HB   GLN  28          1HB       GLN  28 -13.103  10.102   0.212
  239   1HG   GLN  28          2HG       GLN  28 -11.650  12.223   1.763
  240   2HG   GLN  28          1HG       GLN  28 -13.401  12.075   1.924
  241   1HE2  GLN  28          1HE2      GLN  28 -13.773   9.302   1.802
  242   2HE2  GLN  28          2HE2      GLN  28 -12.969   8.556   3.098
  243    H    THR  29           H        THR  29  -9.116   9.403  -0.764
  244    HA   THR  29           HA       THR  29 -10.662   7.120  -1.874
  245    HB   THR  29           HB       THR  29  -8.598   8.763  -3.366
  246    HG1  THR  29           1HG      THR  29 -10.479   9.646  -3.818
  247   1HG2  THR  29          1HG2      THR  29  -8.233   6.327  -3.693
  248   2HG2  THR  29          2HG2      THR  29  -8.799   7.117  -5.165
  249   3HG2  THR  29          3HG2      THR  29  -9.916   6.161  -4.190
  250    HA   PRO  30           HA       PRO  30  -6.953   5.808   0.493
  251   1HB   PRO  30          2HB       PRO  30  -8.261   4.055   2.126
  252   2HB   PRO  30          1HB       PRO  30  -8.130   5.785   2.490
  253   1HG   PRO  30          2HG       PRO  30 -10.432   4.243   1.465
  254   2HG   PRO  30          1HG       PRO  30 -10.400   5.687   2.484
  255   1HD   PRO  30          2HD       PRO  30 -10.946   5.627  -0.253
  256   2HD   PRO  30          1HD       PRO  30 -10.528   7.068   0.698
  257    H    SER  31           H        SER  31  -6.090   4.591  -1.268
  258    HA   SER  31           HA       SER  31  -7.408   1.958  -1.838
  259   1HB   SER  31          2HB       SER  31  -5.757   2.304  -3.906
  260   2HB   SER  31          1HB       SER  31  -7.329   3.096  -3.855
  261    HG   SER  31           HG       SER  31  -4.870   4.203  -2.952
  262    H    CYS  32           H        CYS  32  -6.270   0.119  -1.332
  263    HA   CYS  32           HA       CYS  32  -3.472   0.444  -0.332
  264   1HB   CYS  32          2HB       CYS  32  -3.965  -1.676   0.832
  265   2HB   CYS  32          1HB       CYS  32  -5.216  -0.480   1.171
  266    H    VAL  33           H        VAL  33  -1.814  -0.468  -1.499
  267    HA   VAL  33           HA       VAL  33  -2.539  -2.429  -3.652
  268    HB   VAL  33           HB       VAL  33  -0.638  -0.080  -3.558
  269   1HG1  VAL  33          1HG1      VAL  33   0.811  -1.356  -4.752
  270   2HG1  VAL  33          2HG1      VAL  33  -0.347  -1.177  -6.069
  271   3HG1  VAL  33          3HG1      VAL  33  -0.395  -2.609  -5.042
  272   1HG2  VAL  33          1HG2      VAL  33  -3.182  -0.108  -4.326
  273   2HG2  VAL  33          2HG2      VAL  33  -2.496  -0.776  -5.806
  274   3HG2  VAL  33          3HG2      VAL  33  -1.982   0.811  -5.233
  275    H    CYS  34           H        CYS  34  -1.699  -4.401  -3.107
  276    HA   CYS  34           HA       CYS  34   0.673  -4.566  -1.330
  277   1HB   CYS  34          2HB       CYS  34  -1.043  -6.769  -2.509
  278   2HB   CYS  34          1HB       CYS  34  -0.028  -6.856  -1.069
  279    H    ASP  35           H        ASP  35   2.531  -5.881  -1.965
  280    HA   ASP  35           HA       ASP  35   3.637  -5.401  -4.492
  281   1HB   ASP  35          2HB       ASP  35   4.081  -7.137  -2.177
  282   2HB   ASP  35          1HB       ASP  35   4.678  -7.852  -3.675
  283    H    GLU  36           H        GLU  36   3.055  -6.125  -6.500
  284    HA   GLU  36           HA       GLU  36   0.943  -7.795  -7.170
  285   1HB   GLU  36          2HB       GLU  36   3.589  -7.129  -8.436
  286   2HB   GLU  36          1HB       GLU  36   2.503  -8.259  -9.244
  287   1HG   GLU  36          2HG       GLU  36   0.864  -6.126  -8.433
  288   2HG   GLU  36          1HG       GLU  36   2.326  -5.369  -9.066
  289    H    GLY  37           H        GLY  37   4.302  -8.777  -6.482
  290   1HA   GLY  37          2HA       GLY  37   3.583 -11.622  -6.829
  291   2HA   GLY  37          1HA       GLY  37   5.198 -10.998  -6.493
  292    H    TYR  38           H        TYR  38   2.118 -10.480  -4.752
  293    HA   TYR  38           HA       TYR  38   3.466 -11.614  -2.324
  294   1HB   TYR  38          2HB       TYR  38   2.741  -9.777  -1.127
  295   2HB   TYR  38          1HB       TYR  38   2.836  -9.030  -2.717
  296    HD1  TYR  38           HD1      TYR  38   0.847  -9.194   0.068
  297    HD2  TYR  38           HD2      TYR  38   0.548  -9.689  -4.189
  298    HE1  TYR  38           HE1      TYR  38  -1.578  -8.691   0.179
  299    HE2  TYR  38           HE2      TYR  38  -1.877  -9.184  -4.077
  300    HH   TYR  38           HH       TYR  38  -3.710  -9.460  -1.885
  301    H    ILE  39           H        ILE  39   1.836 -12.452  -0.683
  302    HA   ILE  39           HA       ILE  39  -0.743 -13.348  -1.871
  303    HB   ILE  39           HB       ILE  39   1.207 -15.266  -0.572
  304   1HG1  ILE  39          2HG1      ILE  39   0.861 -14.595  -3.513
  305   2HG1  ILE  39          1HG1      ILE  39   2.316 -14.349  -2.546
  306   1HG2  ILE  39          1HG2      ILE  39  -0.242 -16.939  -1.302
  307   2HG2  ILE  39          2HG2      ILE  39  -0.898 -15.945  -2.602
  308   3HG2  ILE  39          3HG2      ILE  39  -1.380 -15.644  -0.933
  309   1HD1  ILE  39          1HD1      ILE  39   1.116 -16.918  -3.536
  310   2HD1  ILE  39          2HD1      ILE  39   2.095 -16.924  -2.070
  311   3HD1  ILE  39          3HD1      ILE  39   2.794 -16.379  -3.595
  312    H    GLY  40           H        GLY  40  -2.305 -13.889  -0.254
  313   1HA   GLY  40          2HA       GLY  40  -2.779 -14.431   2.133
  314   2HA   GLY  40          1HA       GLY  40  -1.456 -13.347   2.563
  315    H    ALA  41           H        ALA  41  -4.411 -13.282   3.229
  316    HA   ALA  41           HA       ALA  41  -5.581 -11.037   1.824
  317   1HB   ALA  41          1HB       ALA  41  -6.229 -11.945   4.630
  318   2HB   ALA  41          2HB       ALA  41  -6.638 -12.943   3.234
  319   3HB   ALA  41          3HB       ALA  41  -7.329 -11.329   3.397
  320    H    ARG  42           H        ARG  42  -3.195 -11.297   4.298
  321    HA   ARG  42           HA       ARG  42  -3.581  -8.417   5.039
  322   1HB   ARG  42          2HB       ARG  42  -2.746 -10.903   6.438
  323   2HB   ARG  42          1HB       ARG  42  -1.888  -9.431   6.901
  324   1HG   ARG  42          2HG       ARG  42  -4.893  -9.442   6.703
  325   2HG   ARG  42          1HG       ARG  42  -4.093 -10.033   8.160
  326   1HD   ARG  42          2HD       ARG  42  -3.013  -7.904   8.526
  327   2HD   ARG  42          1HD       ARG  42  -3.546  -7.304   6.943
  328    HE   ARG  42           HE       ARG  42  -5.865  -7.364   7.774
  329   1HH1  ARG  42          1HH2      ARG  42  -5.232  -9.394   9.991
  330   2HH1  ARG  42          2HH2      ARG  42  -5.386  -8.393  11.396
  331   1HH2  ARG  42          1HH1      ARG  42  -5.256  -5.419   9.617
  332   2HH2  ARG  42          2HH1      ARG  42  -5.397  -6.142  11.185
  333    H    CYS  43           H        CYS  43  -1.854 -10.215   2.928
  334    HA   CYS  43           HA       CYS  43   0.119  -9.729   1.710
  335   1HB   CYS  43          2HB       CYS  43   0.453  -7.340   3.527
  336   2HB   CYS  43          1HB       CYS  43   0.894  -7.494   1.830
  337    H    GLU  44           H        GLU  44   0.287 -11.539   3.876
  338    HA   GLU  44           HA       GLU  44   2.774 -10.784   5.343
  339   1HB   GLU  44          2HB       GLU  44   0.406 -11.956   6.097
  340   2HB   GLU  44          1HB       GLU  44   1.440 -13.366   5.865
  341   1HG   GLU  44          2HG       GLU  44   3.131 -12.400   7.360
  342   2HG   GLU  44          1HG       GLU  44   2.140 -10.955   7.567
  343    H    ARG  45           H        ARG  45   1.493 -13.166   3.042
  344    HA   ARG  45           HA       ARG  45   3.998 -14.718   3.040
  345   1HB   ARG  45          2HB       ARG  45   1.665 -15.646   2.791
  346   2HB   ARG  45          1HB       ARG  45   1.573 -14.845   1.222
  347   1HG   ARG  45          2HG       ARG  45   2.264 -17.232   1.031
  348   2HG   ARG  45          1HG       ARG  45   3.491 -16.124   0.416
  349   1HD   ARG  45          2HD       ARG  45   4.997 -16.774   1.992
  350   2HD   ARG  45          1HD       ARG  45   3.788 -16.681   3.289
  351    HE   ARG  45           HE       ARG  45   3.059 -18.932   2.716
  352   1HH1  ARG  45          1HH2      ARG  45   6.159 -19.006   2.780
  353   2HH1  ARG  45          2HH2      ARG  45   6.471 -19.993   1.390
  354   1HH2  ARG  45          1HH1      ARG  45   3.266 -19.664   0.108
  355   2HH2  ARG  45          2HH1      ARG  45   4.833 -20.367  -0.121
  356    H    VAL  46           H        VAL  46   5.413 -14.849   1.208
  357    HA   VAL  46           HA       VAL  46   5.101 -12.656  -0.817
  358    HB   VAL  46           HB       VAL  46   6.742 -11.972   0.808
  359   1HG1  VAL  46          1HG1      VAL  46   8.737 -13.541   1.217
  360   2HG1  VAL  46          2HG1      VAL  46   7.734 -14.810   0.514
  361   3HG1  VAL  46          3HG1      VAL  46   7.211 -13.986   1.982
  362   1HG2  VAL  46          1HG2      VAL  46   7.452 -11.534  -1.465
  363   2HG2  VAL  46          2HG2      VAL  46   8.041 -13.186  -1.648
  364   3HG2  VAL  46          3HG2      VAL  46   8.864 -12.073  -0.556
  365    H    ASP  47           H        ASP  47   5.718 -13.237  -2.932
  366    HA   ASP  47           HA       ASP  47   6.695 -16.047  -3.322
  367   1HB   ASP  47          2HB       ASP  47   4.148 -15.092  -3.792
  368   2HB   ASP  47          1HB       ASP  47   4.905 -14.936  -5.377
  369    H    LEU  48           H        LEU  48   8.590 -14.109  -3.343
  370    HA   LEU  48           HA       LEU  48   9.137 -13.712  -6.262
  371   1HB   LEU  48          2HB       LEU  48   9.396 -11.775  -3.945
  372   2HB   LEU  48          1HB       LEU  48  10.130 -11.488  -5.523
  373    HG   LEU  48           HG       LEU  48   7.236 -12.220  -5.453
  374   1HD1  LEU  48          1HD1      LEU  48   7.150 -10.565  -3.762
  375   2HD1  LEU  48          2HD1      LEU  48   6.806  -9.677  -5.246
  376   3HD1  LEU  48          3HD1      LEU  48   8.413  -9.599  -4.524
  377   1HD2  LEU  48          1HD2      LEU  48   7.722 -10.052  -7.142
  378   2HD2  LEU  48          2HD2      LEU  48   7.640 -11.746  -7.628
  379   3HD2  LEU  48          3HD2      LEU  48   9.198 -11.012  -7.249
  380    H    PHE  49           H        PHE  49  11.215 -14.298  -6.838
  381    HA   PHE  49           HA       PHE  49  12.965 -15.427  -4.739
  382   1HB   PHE  49          2HB       PHE  49  13.260 -15.267  -7.756
  383   2HB   PHE  49          1HB       PHE  49  14.157 -16.332  -6.673
  384    HD1  PHE  49           HD1      PHE  49  13.085 -18.259  -5.612
  385    HD2  PHE  49           HD2      PHE  49  10.905 -15.680  -8.268
  386    HE1  PHE  49           HE1      PHE  49  11.276 -19.947  -5.765
  387    HE2  PHE  49           HE2      PHE  49   9.095 -17.368  -8.420
  388    HZ   PHE  49           HZ       PHE  49   9.280 -19.502  -7.169
  389    H    TYR  50           H        TYR  50  12.577 -12.456  -4.972
  390    HA   TYR  50           HA       TYR  50  14.658 -11.061  -6.217
  391   1HB   TYR  50          2HB       TYR  50  14.287  -9.419  -4.412
  392   2HB   TYR  50          1HB       TYR  50  12.751 -10.109  -4.942
  393    HD1  TYR  50           HD1      TYR  50  15.445 -10.506  -2.378
  394    HD2  TYR  50           HD2      TYR  50  11.331 -11.193  -3.408
  395    HE1  TYR  50           HE1      TYR  50  14.999 -11.298  -0.071
  396    HE2  TYR  50           HE2      TYR  50  10.885 -11.984  -1.100
  397    HH   TYR  50           HH       TYR  50  12.377 -13.047   0.794
  Start of MODEL   32
    1   1H    ARG   1          H1        ARG   1   5.567  15.980  -7.725
    2   2H    ARG   1          H2        ARG   1   4.254  16.987  -8.109
    3   3H    ARG   1          H3        ARG   1   5.836  17.460  -8.505
    4    HA   ARG   1           HA       ARG   1   4.329  16.485 -10.356
    5   1HB   ARG   1          2HB       ARG   1   7.199  15.873  -9.642
    6   2HB   ARG   1          1HB       ARG   1   6.522  15.384 -11.196
    7   1HG   ARG   1          2HG       ARG   1   5.991  18.188 -10.394
    8   2HG   ARG   1          1HG       ARG   1   7.672  17.807 -10.770
    9   1HD   ARG   1          2HD       ARG   1   7.119  18.026 -12.960
   10   2HD   ARG   1          1HD       ARG   1   6.164  16.539 -12.788
   11    HE   ARG   1           HE       ARG   1   4.838  18.986 -11.830
   12   1HH1  ARG   1          1HH2      ARG   1   5.596  18.722 -14.900
   13   2HH1  ARG   1          2HH2      ARG   1   4.048  18.246 -15.517
   14   1HH2  ARG   1          1HH1      ARG   1   2.732  17.516 -12.395
   15   2HH2  ARG   1          2HH1      ARG   1   2.428  17.564 -14.099
   16    H    LYS   2           H        LYS   2   6.570  13.947  -9.422
   17    HA   LYS   2           HA       LYS   2   4.456  11.923  -9.796
   18   1HB   LYS   2          2HB       LYS   2   6.352  10.398  -9.775
   19   2HB   LYS   2          1HB       LYS   2   6.793  11.809 -10.737
   20   1HG   LYS   2          2HG       LYS   2   8.539  12.193  -9.376
   21   2HG   LYS   2          1HG       LYS   2   7.435  12.375  -8.013
   22   1HD   LYS   2          2HD       LYS   2   7.923  10.318  -7.203
   23   2HD   LYS   2          1HD       LYS   2   7.833   9.578  -8.803
   24   1HE   LYS   2          2HE       LYS   2  10.100  10.401  -9.331
   25   2HE   LYS   2          1HE       LYS   2  10.196  11.163  -7.730
   26   1HZ   LYS   2          1HZ       LYS   2  10.272   9.164  -6.669
   27   2HZ   LYS   2          2HZ       LYS   2  11.029   8.706  -8.120
   28   3HZ   LYS   2          3HZ       LYS   2   9.385   8.354  -7.867
   29    H    GLY   3           H        GLY   3   3.724  13.309  -7.568
   30   1HA   GLY   3          2HA       GLY   3   3.431  11.421  -5.538
   31   2HA   GLY   3          1HA       GLY   3   4.903  12.299  -5.123
   32    H    HIS   4           H        HIS   4   1.641  13.154  -6.344
   33    HA   HIS   4           HA       HIS   4   1.690  15.559  -4.586
   34   1HB   HIS   4          2HB       HIS   4   0.910  15.044  -7.205
   35   2HB   HIS   4          1HB       HIS   4  -0.622  15.124  -6.335
   36    HD1  HIS   4           HD1      HIS   4  -1.144  17.448  -7.453
   37    HD2  HIS   4           HD2      HIS   4   2.260  17.425  -5.049
   38    HE1  HIS   4           HE1      HIS   4  -0.531  19.872  -7.058
   39    H    PHE   5           H        PHE   5   1.254  12.789  -3.529
   40    HA   PHE   5           HA       PHE   5  -1.414  13.285  -2.267
   41   1HB   PHE   5          2HB       PHE   5  -0.372  10.627  -3.297
   42   2HB   PHE   5          1HB       PHE   5  -1.966  10.932  -2.608
   43    HD1  PHE   5           HD1      PHE   5  -3.717  11.957  -3.892
   44    HD2  PHE   5           HD2      PHE   5   0.254  11.631  -5.495
   45    HE1  PHE   5           HE1      PHE   5  -4.567  12.606  -6.129
   46    HE2  PHE   5           HE2      PHE   5  -0.596  12.280  -7.734
   47    HZ   PHE   5           HZ       PHE   5  -3.007  12.767  -8.050
   48    H    SER   6           H        SER   6  -1.245  10.769  -0.798
   49    HA   SER   6           HA       SER   6   1.183  11.222   0.899
   50   1HB   SER   6          2HB       SER   6  -1.415  10.507   2.173
   51   2HB   SER   6          1HB       SER   6  -0.132  11.560   2.761
   52    HG   SER   6           HG       SER   6  -2.251  12.092   1.008
   53    H    ARG   7           H        ARG   7   2.243   9.315   1.279
   54    HA   ARG   7           HA       ARG   7   0.864   6.761   0.595
   55   1HB   ARG   7          2HB       ARG   7   3.699   7.749   0.831
   56   2HB   ARG   7          1HB       ARG   7   3.368   6.016   0.854
   57   1HG   ARG   7          2HG       ARG   7   3.387   6.130  -1.404
   58   2HG   ARG   7          1HG       ARG   7   1.821   6.929  -1.261
   59   1HD   ARG   7          2HD       ARG   7   3.306   8.322  -2.627
   60   2HD   ARG   7          1HD       ARG   7   3.039   9.132  -1.070
   61    HE   ARG   7           HE       ARG   7   5.220   7.939  -0.352
   62   1HH1  ARG   7          1HH1      ARG   7   4.607   9.675  -3.197
   63   2HH1  ARG   7          2HH1      ARG   7   6.180   9.425  -3.879
   64   1HH2  ARG   7          1HH2      ARG   7   7.202   7.234  -1.394
   65   2HH2  ARG   7          2HH2      ARG   7   7.649   8.044  -2.858
   66    H    CYS   8           H        CYS   8   0.161   5.471   2.249
   67    HA   CYS   8           HA       CYS   8   0.480   6.133   5.016
   68   1HB   CYS   8          2HB       CYS   8  -0.856   4.229   3.328
   69   2HB   CYS   8          1HB       CYS   8  -0.115   3.367   4.676
   70    HA   PRO   9           HA       PRO   9   4.559   4.404   5.498
   71   1HB   PRO   9          2HB       PRO   9   4.767   4.867   8.187
   72   2HB   PRO   9          1HB       PRO   9   4.974   6.140   6.969
   73   1HG   PRO   9          2HG       PRO   9   2.634   5.536   8.693
   74   2HG   PRO   9          1HG       PRO   9   3.270   7.098   8.158
   75   1HD   PRO   9          2HD       PRO   9   1.076   5.868   7.060
   76   2HD   PRO   9          1HD       PRO   9   2.092   7.050   6.206
   77    H    LYS  10           H        LYS  10   5.492   2.548   6.709
   78    HA   LYS  10           HA       LYS  10   3.701   0.326   6.946
   79   1HB   LYS  10          2HB       LYS  10   6.399   0.763   6.726
   80   2HB   LYS  10          1HB       LYS  10   6.271   0.231   8.403
   81   1HG   LYS  10          2HG       LYS  10   4.670  -1.605   7.277
   82   2HG   LYS  10          1HG       LYS  10   5.706  -1.270   5.890
   83   1HD   LYS  10          2HD       LYS  10   7.468  -1.451   8.061
   84   2HD   LYS  10          1HD       LYS  10   6.311  -2.759   8.313
   85   1HE   LYS  10          2HE       LYS  10   6.681  -3.349   5.831
   86   2HE   LYS  10          1HE       LYS  10   8.102  -2.290   5.920
   87   1HZ   LYS  10          1HZ       LYS  10   8.994  -3.546   7.689
   88   2HZ   LYS  10          2HZ       LYS  10   8.505  -4.686   6.529
   89   3HZ   LYS  10          3HZ       LYS  10   7.556  -4.417   7.912
   90    H    GLN  11           H        GLN  11   4.995   2.605   9.330
   91    HA   GLN  11           HA       GLN  11   4.257   1.155  11.695
   92   1HB   GLN  11          2HB       GLN  11   5.830   3.101  11.492
   93   2HB   GLN  11          1HB       GLN  11   4.435   4.147  11.221
   94   1HG   GLN  11          2HG       GLN  11   5.184   4.141  13.603
   95   2HG   GLN  11          1HG       GLN  11   3.525   3.574  13.409
   96   1HE2  GLN  11          1HE2      GLN  11   6.784   2.017  13.155
   97   2HE2  GLN  11          2HE2      GLN  11   6.379   0.687  14.129
   98    H    TYR  12           H        TYR  12   2.308   2.582   9.302
   99    HA   TYR  12           HA       TYR  12  -0.003   2.740  11.214
  100   1HB   TYR  12          2HB       TYR  12   1.139   4.606   9.301
  101   2HB   TYR  12          1HB       TYR  12  -0.554   4.286   8.933
  102    HD1  TYR  12           HD1      TYR  12   1.719   6.068  11.051
  103    HD2  TYR  12           HD2      TYR  12  -2.243   4.415  10.891
  104    HE1  TYR  12           HE1      TYR  12   1.032   7.531  12.932
  105    HE2  TYR  12           HE2      TYR  12  -2.929   5.877  12.772
  106    HH   TYR  12           HH       TYR  12  -1.792   7.062  14.687
  107    H    LYS  13           H        LYS  13   1.314   0.944   8.761
  108    HA   LYS  13           HA       LYS  13  -1.167   0.451   7.238
  109   1HB   LYS  13          2HB       LYS  13   1.714  -0.402   7.173
  110   2HB   LYS  13          1HB       LYS  13   0.521  -1.326   6.260
  111   1HG   LYS  13          2HG       LYS  13  -0.234   0.819   5.194
  112   2HG   LYS  13          1HG       LYS  13   1.106   1.635   6.000
  113   1HD   LYS  13          2HD       LYS  13   2.724   0.245   4.842
  114   2HD   LYS  13          1HD       LYS  13   1.436  -0.734   4.139
  115   1HE   LYS  13          2HE       LYS  13   1.041   0.786   2.491
  116   2HE   LYS  13          1HE       LYS  13   1.139   2.154   3.619
  117   1HZ   LYS  13          1HZ       LYS  13   3.406   0.626   2.456
  118   2HZ   LYS  13          2HZ       LYS  13   3.575   1.753   3.716
  119   3HZ   LYS  13          3HZ       LYS  13   3.032   2.258   2.186
  120    H    HIS  14           H        HIS  14  -2.266  -0.289   9.361
  121    HA   HIS  14           HA       HIS  14  -1.423  -2.921  10.387
  122   1HB   HIS  14          2HB       HIS  14  -3.736  -1.028  10.906
  123   2HB   HIS  14          1HB       HIS  14  -3.518  -2.546  11.774
  124    HD1  HIS  14           HD1      HIS  14  -3.096   0.701  12.618
  125    HD2  HIS  14           HD2      HIS  14  -0.299  -2.381  12.390
  126    HE1  HIS  14           HE1      HIS  14  -1.150   1.390  14.086
  127    H    TYR  15           H        TYR  15  -3.482  -1.633   7.954
  128    HA   TYR  15           HA       TYR  15  -5.250  -3.976   7.794
  129   1HB   TYR  15          2HB       TYR  15  -5.967  -2.731   5.678
  130   2HB   TYR  15          1HB       TYR  15  -6.145  -1.827   7.181
  131    HD1  TYR  15           HD1      TYR  15  -5.043   0.234   7.491
  132    HD2  TYR  15           HD2      TYR  15  -3.831  -2.367   4.296
  133    HE1  TYR  15           HE1      TYR  15  -3.564   2.016   6.603
  134    HE2  TYR  15           HE2      TYR  15  -2.350  -0.586   3.409
  135    HH   TYR  15           HH       TYR  15  -1.786   2.387   5.191
  136    H    CYS  16           H        CYS  16  -2.077  -3.205   6.813
  137    HA   CYS  16           HA       CYS  16  -1.899  -5.676   5.219
  138   1HB   CYS  16          2HB       CYS  16  -1.945  -2.910   4.077
  139   2HB   CYS  16          1HB       CYS  16  -0.848  -4.082   3.348
  140    H    ILE  17           H        ILE  17   0.192  -6.490   5.361
  141    HA   ILE  17           HA       ILE  17   2.167  -4.868   6.874
  142    HB   ILE  17           HB       ILE  17   2.327  -7.750   5.956
  143   1HG1  ILE  17          2HG1      ILE  17   0.182  -7.336   7.146
  144   2HG1  ILE  17          1HG1      ILE  17   1.270  -8.353   8.091
  145   1HG2  ILE  17          1HG2      ILE  17   3.676  -6.048   8.043
  146   2HG2  ILE  17          2HG2      ILE  17   4.407  -7.114   6.842
  147   3HG2  ILE  17          3HG2      ILE  17   3.582  -7.798   8.243
  148   1HD1  ILE  17          1HD1      ILE  17   2.069  -6.000   9.046
  149   2HD1  ILE  17          2HD1      ILE  17   0.659  -6.822   9.716
  150   3HD1  ILE  17          3HD1      ILE  17   0.447  -5.514   8.552
  151    H    LYS  18           H        LYS  18   2.594  -7.209   4.194
  152    HA   LYS  18           HA       LYS  18   4.795  -5.543   3.129
  153   1HB   LYS  18          2HB       LYS  18   5.213  -7.521   1.749
  154   2HB   LYS  18          1HB       LYS  18   4.949  -8.017   3.419
  155   1HG   LYS  18          2HG       LYS  18   2.465  -8.297   2.720
  156   2HG   LYS  18          1HG       LYS  18   3.079  -8.269   1.068
  157   1HD   LYS  18          2HD       LYS  18   3.841 -10.206   3.268
  158   2HD   LYS  18          1HD       LYS  18   2.982 -10.574   1.773
  159   1HE   LYS  18          2HE       LYS  18   4.970 -10.938   0.753
  160   2HE   LYS  18          1HE       LYS  18   5.416  -9.248   1.063
  161   1HZ   LYS  18          1HZ       LYS  18   6.084  -9.862   3.299
  162   2HZ   LYS  18          2HZ       LYS  18   6.952 -10.776   2.158
  163   3HZ   LYS  18          3HZ       LYS  18   5.662 -11.480   3.011
  164    H    GLY  19           H        GLY  19   2.782  -3.939   2.711
  165   1HA   GLY  19          2HA       GLY  19   2.379  -3.980  -0.184
  166   2HA   GLY  19          1HA       GLY  19   0.889  -4.186   0.739
  167    H    ARG  20           H        ARG  20   2.010  -1.884  -0.946
  168    HA   ARG  20           HA       ARG  20   2.169   0.273   1.099
  169   1HB   ARG  20          2HB       ARG  20   2.820  -0.108  -1.792
  170   2HB   ARG  20          1HB       ARG  20   2.392   1.524  -1.276
  171   1HG   ARG  20          2HG       ARG  20   4.594   1.672  -0.719
  172   2HG   ARG  20          1HG       ARG  20   4.100   0.781   0.722
  173   1HD   ARG  20          2HD       ARG  20   4.839  -1.293  -0.168
  174   2HD   ARG  20          1HD       ARG  20   4.916  -0.648  -1.820
  175    HE   ARG  20           HE       ARG  20   6.617   0.765   0.109
  176   1HH1  ARG  20          1HH1      ARG  20   7.174  -2.309  -0.372
  177   2HH1  ARG  20          2HH1      ARG  20   8.481  -2.177  -1.502
  178   1HH2  ARG  20          1HH2      ARG  20   7.936   1.186  -2.145
  179   2HH2  ARG  20          2HH2      ARG  20   8.913  -0.198  -2.505
  180    H    CYS  21           H        CYS  21   0.607   2.001   1.116
  181    HA   CYS  21           HA       CYS  21  -1.873   1.493  -0.493
  182   1HB   CYS  21          2HB       CYS  21  -2.205   0.634   1.743
  183   2HB   CYS  21          1HB       CYS  21  -1.540   2.103   2.456
  184    H    ARG  22           H        ARG  22  -2.568   3.314  -1.537
  185    HA   ARG  22           HA       ARG  22  -1.294   5.919  -0.849
  186   1HB   ARG  22          2HB       ARG  22  -3.027   5.160  -3.218
  187   2HB   ARG  22          1HB       ARG  22  -1.902   6.515  -3.102
  188   1HG   ARG  22          2HG       ARG  22  -0.009   4.967  -2.951
  189   2HG   ARG  22          1HG       ARG  22  -1.111   3.589  -2.982
  190   1HD   ARG  22          2HD       ARG  22  -0.618   3.672  -5.242
  191   2HD   ARG  22          1HD       ARG  22  -1.927   4.871  -5.231
  192    HE   ARG  22           HE       ARG  22   0.972   5.592  -5.003
  193   1HH1  ARG  22          1HH2      ARG  22  -0.398   5.958  -7.636
  194   2HH1  ARG  22          2HH2      ARG  22  -0.899   7.615  -7.561
  195   1HH2  ARG  22          1HH1      ARG  22  -0.492   7.858  -4.125
  196   2HH2  ARG  22          2HH1      ARG  22  -0.952   8.690  -5.573
  197    H    PHE  23           H        PHE  23  -2.482   7.324   0.372
  198    HA   PHE  23           HA       PHE  23  -5.466   7.023   0.389
  199   1HB   PHE  23          2HB       PHE  23  -3.839   6.740   2.449
  200   2HB   PHE  23          1HB       PHE  23  -3.852   8.504   2.447
  201    HD1  PHE  23           HD1      PHE  23  -6.438   9.389   1.855
  202    HD2  PHE  23           HD2      PHE  23  -5.326   5.831   3.990
  203    HE1  PHE  23           HE1      PHE  23  -8.644   9.381   2.989
  204    HE2  PHE  23           HE2      PHE  23  -7.532   5.822   5.124
  205    HZ   PHE  23           HZ       PHE  23  -9.191   7.597   4.623
  206    H    VAL  24           H        VAL  24  -6.159   8.502  -1.179
  207    HA   VAL  24           HA       VAL  24  -4.863  11.118  -1.488
  208    HB   VAL  24           HB       VAL  24  -7.464  10.036  -2.612
  209   1HG1  VAL  24          1HG1      VAL  24  -7.471  11.840  -4.005
  210   2HG1  VAL  24          2HG1      VAL  24  -5.715  11.839  -4.173
  211   3HG1  VAL  24          3HG1      VAL  24  -6.466  12.572  -2.755
  212   1HG2  VAL  24          1HG2      VAL  24  -6.266   8.945  -4.286
  213   2HG2  VAL  24          2HG2      VAL  24  -5.189   8.706  -2.910
  214   3HG2  VAL  24          3HG2      VAL  24  -4.850   9.977  -4.084
  215    H    VAL  25           H        VAL  25  -5.377  12.873  -0.260
  216    HA   VAL  25           HA       VAL  25  -7.602  12.803   1.638
  217    HB   VAL  25           HB       VAL  25  -5.781  15.101   0.868
  218   1HG1  VAL  25          1HG1      VAL  25  -7.745  15.504   2.406
  219   2HG1  VAL  25          2HG1      VAL  25  -6.175  15.848   3.131
  220   3HG1  VAL  25          3HG1      VAL  25  -7.022  14.353   3.530
  221   1HG2  VAL  25          1HG2      VAL  25  -4.568  14.014   3.018
  222   2HG2  VAL  25          2HG2      VAL  25  -4.144  13.563   1.366
  223   3HG2  VAL  25          3HG2      VAL  25  -5.238  12.547   2.304
  224    H    ALA  26           H        ALA  26  -6.740  15.359  -0.733
  225    HA   ALA  26           HA       ALA  26  -9.136  16.723  -0.902
  226   1HB   ALA  26          1HB       ALA  26  -8.452  17.188  -3.256
  227   2HB   ALA  26          2HB       ALA  26  -7.314  15.843  -3.171
  228   3HB   ALA  26          3HB       ALA  26  -7.081  17.263  -2.150
  229    H    GLU  27           H        GLU  27  -8.311  13.721  -2.626
  230    HA   GLU  27           HA       GLU  27 -11.213  13.368  -3.297
  231   1HB   GLU  27          2HB       GLU  27  -8.812  13.262  -4.814
  232   2HB   GLU  27          1HB       GLU  27  -9.395  11.603  -4.687
  233   1HG   GLU  27          2HG       GLU  27 -10.795  12.130  -6.384
  234   2HG   GLU  27          1HG       GLU  27 -11.713  13.036  -5.181
  235    H    GLN  28           H        GLN  28 -11.788  12.319  -1.313
  236    HA   GLN  28           HA       GLN  28 -10.510  10.497   0.269
  237   1HB   GLN  28          2HB       GLN  28 -12.806  11.232   0.602
  238   2HB   GLN  28          1HB       GLN  28 -13.329  10.366  -0.843
  239   1HG   GLN  28          2HG       GLN  28 -13.854   8.734   0.674
  240   2HG   GLN  28          1HG       GLN  28 -12.144   8.338   0.502
  241   1HE2  GLN  28          1HE2      GLN  28 -14.556   9.578   2.702
  242   2HE2  GLN  28          2HE2      GLN  28 -13.515   9.828   4.019
  243    H    THR  29           H        THR  29  -8.964   9.205  -0.899
  244    HA   THR  29           HA       THR  29 -10.200   6.881  -2.327
  245    HB   THR  29           HB       THR  29  -7.706   8.317  -3.264
  246    HG1  THR  29           1HG      THR  29  -9.314   9.056  -4.920
  247   1HG2  THR  29          1HG2      THR  29  -9.584   6.265  -4.445
  248   2HG2  THR  29          2HG2      THR  29  -7.853   6.104  -4.143
  249   3HG2  THR  29          3HG2      THR  29  -8.430   7.170  -5.425
  250    HA   PRO  30           HA       PRO  30  -6.966   5.645   0.750
  251   1HB   PRO  30          2HB       PRO  30  -8.560   4.005   2.243
  252   2HB   PRO  30          1HB       PRO  30  -8.419   5.746   2.552
  253   1HG   PRO  30          2HG       PRO  30 -10.593   4.232   1.227
  254   2HG   PRO  30          1HG       PRO  30 -10.675   5.687   2.229
  255   1HD   PRO  30          2HD       PRO  30 -10.834   5.639  -0.539
  256   2HD   PRO  30          1HD       PRO  30 -10.429   7.064   0.443
  257    H    SER  31           H        SER  31  -6.476   4.583  -1.496
  258    HA   SER  31           HA       SER  31  -7.516   1.819  -1.775
  259   1HB   SER  31          2HB       SER  31  -6.765   2.028  -3.968
  260   2HB   SER  31          1HB       SER  31  -7.035   3.722  -3.570
  261    HG   SER  31           HG       SER  31  -4.802   2.613  -4.346
  262    H    CYS  32           H        CYS  32  -6.277   0.005  -1.311
  263    HA   CYS  32           HA       CYS  32  -3.517   0.507  -0.258
  264   1HB   CYS  32          2HB       CYS  32  -4.906  -0.265   1.487
  265   2HB   CYS  32          1HB       CYS  32  -5.733  -1.419   0.444
  266    H    VAL  33           H        VAL  33  -2.140  -0.002  -1.897
  267    HA   VAL  33           HA       VAL  33  -2.701  -2.298  -3.693
  268    HB   VAL  33           HB       VAL  33  -0.463  -0.246  -3.625
  269   1HG1  VAL  33          1HG1      VAL  33  -0.915  -1.128  -6.237
  270   2HG1  VAL  33          2HG1      VAL  33  -1.006  -2.596  -5.262
  271   3HG1  VAL  33          3HG1      VAL  33   0.439  -1.585  -5.203
  272   1HG2  VAL  33          1HG2      VAL  33  -3.214  -0.268  -4.837
  273   2HG2  VAL  33          2HG2      VAL  33  -1.913   0.595  -5.657
  274   3HG2  VAL  33          3HG2      VAL  33  -2.373   1.046  -4.015
  275    H    CYS  34           H        CYS  34  -1.979  -4.275  -2.986
  276    HA   CYS  34           HA       CYS  34   0.156  -4.491  -0.974
  277   1HB   CYS  34          2HB       CYS  34  -1.200  -6.696  -2.545
  278   2HB   CYS  34          1HB       CYS  34  -0.511  -6.788  -0.925
  279    H    ASP  35           H        ASP  35   2.122  -5.797  -1.372
  280    HA   ASP  35           HA       ASP  35   3.675  -5.088  -3.570
  281   1HB   ASP  35          2HB       ASP  35   3.653  -7.086  -1.452
  282   2HB   ASP  35          1HB       ASP  35   4.430  -7.710  -2.907
  283    H    GLU  36           H        GLU  36   3.332  -5.439  -5.728
  284    HA   GLU  36           HA       GLU  36   1.376  -6.882  -7.005
  285   1HB   GLU  36          2HB       GLU  36   3.007  -5.413  -8.099
  286   2HB   GLU  36          1HB       GLU  36   4.293  -6.582  -7.792
  287   1HG   GLU  36          2HG       GLU  36   3.604  -7.984  -9.466
  288   2HG   GLU  36          1HG       GLU  36   1.898  -7.624  -9.203
  289    H    GLY  37           H        GLY  37   4.632  -8.226  -6.310
  290   1HA   GLY  37          2HA       GLY  37   3.616 -10.939  -6.890
  291   2HA   GLY  37          1HA       GLY  37   5.297 -10.512  -6.573
  292    H    TYR  38           H        TYR  38   2.259 -10.066  -4.718
  293    HA   TYR  38           HA       TYR  38   3.670 -11.345  -2.400
  294   1HB   TYR  38          2HB       TYR  38   2.847  -9.655  -1.058
  295   2HB   TYR  38          1HB       TYR  38   2.914  -8.781  -2.582
  296    HD1  TYR  38           HD1      TYR  38   0.905  -9.338   0.163
  297    HD2  TYR  38           HD2      TYR  38   0.678  -9.350  -4.126
  298    HE1  TYR  38           HE1      TYR  38  -1.544  -8.971   0.289
  299    HE2  TYR  38           HE2      TYR  38  -1.767  -8.979  -3.999
  300    HH   TYR  38           HH       TYR  38  -3.399  -8.025  -2.373
  301    H    ILE  39           H        ILE  39   2.069 -12.320  -0.794
  302    HA   ILE  39           HA       ILE  39  -0.432 -13.328  -2.058
  303    HB   ILE  39           HB       ILE  39   1.585 -15.131  -0.698
  304   1HG1  ILE  39          2HG1      ILE  39   1.892 -15.831  -3.244
  305   2HG1  ILE  39          1HG1      ILE  39   1.429 -14.152  -3.527
  306   1HG2  ILE  39          1HG2      ILE  39  -0.819 -15.848  -0.904
  307   2HG2  ILE  39          2HG2      ILE  39   0.311 -16.902  -1.755
  308   3HG2  ILE  39          3HG2      ILE  39  -0.651 -15.731  -2.656
  309   1HD1  ILE  39          1HD1      ILE  39   3.965 -15.183  -2.655
  310   2HD1  ILE  39          2HD1      ILE  39   3.303 -14.146  -1.390
  311   3HD1  ILE  39          3HD1      ILE  39   3.526 -13.515  -3.022
  312    H    GLY  40           H        GLY  40  -2.077 -13.327  -0.565
  313   1HA   GLY  40          2HA       GLY  40  -2.538 -14.124   1.872
  314   2HA   GLY  40          1HA       GLY  40  -1.339 -12.900   2.294
  315    H    ALA  41           H        ALA  41  -4.433 -13.217   2.627
  316    HA   ALA  41           HA       ALA  41  -5.764 -11.170   1.180
  317   1HB   ALA  41          1HB       ALA  41  -6.650 -11.379   3.930
  318   2HB   ALA  41          2HB       ALA  41  -6.240 -12.974   3.301
  319   3HB   ALA  41          3HB       ALA  41  -7.435 -11.980   2.469
  320    H    ARG  42           H        ARG  42  -3.782 -10.999   4.124
  321    HA   ARG  42           HA       ARG  42  -4.137  -8.024   4.140
  322   1HB   ARG  42          2HB       ARG  42  -3.712 -10.174   6.162
  323   2HB   ARG  42          1HB       ARG  42  -2.974  -8.608   6.501
  324   1HG   ARG  42          2HG       ARG  42  -4.973  -7.647   6.942
  325   2HG   ARG  42          1HG       ARG  42  -5.718  -8.366   5.514
  326   1HD   ARG  42          2HD       ARG  42  -6.894  -9.557   7.101
  327   2HD   ARG  42          1HD       ARG  42  -5.444 -10.582   7.078
  328    HE   ARG  42           HE       ARG  42  -4.901  -9.732   9.210
  329   1HH1  ARG  42          1HH2      ARG  42  -7.918  -8.755   9.009
  330   2HH1  ARG  42          2HH2      ARG  42  -7.729  -7.170   9.681
  331   1HH2  ARG  42          1HH1      ARG  42  -4.270  -7.193   9.450
  332   2HH2  ARG  42          2HH1      ARG  42  -5.663  -6.286   9.930
  333    H    CYS  43           H        CYS  43  -2.195  -9.881   2.546
  334    HA   CYS  43           HA       CYS  43   0.033  -9.664   1.780
  335   1HB   CYS  43          2HB       CYS  43   0.156  -7.205   3.537
  336   2HB   CYS  43          1HB       CYS  43   0.973  -7.489   2.001
  337    H    GLU  44           H        GLU  44   0.233 -11.599   3.359
  338    HA   GLU  44           HA       GLU  44   1.868 -10.893   5.761
  339   1HB   GLU  44          2HB       GLU  44  -0.359 -12.440   5.471
  340   2HB   GLU  44          1HB       GLU  44   0.909 -13.657   5.311
  341   1HG   GLU  44          2HG       GLU  44   0.372 -13.499   7.654
  342   2HG   GLU  44          1HG       GLU  44   1.941 -12.723   7.426
  343    H    ARG  45           H        ARG  45   1.824 -13.051   2.898
  344    HA   ARG  45           HA       ARG  45   4.743 -13.559   3.401
  345   1HB   ARG  45          2HB       ARG  45   4.338 -15.719   2.299
  346   2HB   ARG  45          1HB       ARG  45   3.209 -15.502   3.637
  347   1HG   ARG  45          2HG       ARG  45   1.397 -15.090   2.217
  348   2HG   ARG  45          1HG       ARG  45   2.436 -14.614   0.873
  349   1HD   ARG  45          2HD       ARG  45   1.540 -16.830   0.386
  350   2HD   ARG  45          1HD       ARG  45   3.259 -17.020   0.787
  351    HE   ARG  45           HE       ARG  45   1.650 -17.152   3.175
  352   1HH1  ARG  45          1HH1      ARG  45   1.605 -18.921   0.288
  353   2HH1  ARG  45          2HH1      ARG  45   1.841 -20.463   1.039
  354   1HH2  ARG  45          1HH2      ARG  45   2.384 -19.140   4.197
  355   2HH2  ARG  45          2HH2      ARG  45   2.283 -20.588   3.252
  356    H    VAL  46           H        VAL  46   5.953 -14.034   1.300
  357    HA   VAL  46           HA       VAL  46   4.925 -12.283  -0.912
  358    HB   VAL  46           HB       VAL  46   6.779 -11.297   0.364
  359   1HG1  VAL  46          1HG1      VAL  46   8.091 -12.863   1.373
  360   2HG1  VAL  46          2HG1      VAL  46   9.016 -12.783  -0.126
  361   3HG1  VAL  46          3HG1      VAL  46   7.815 -14.053   0.102
  362   1HG2  VAL  46          1HG2      VAL  46   8.294 -10.881  -1.474
  363   2HG2  VAL  46          2HG2      VAL  46   6.676 -11.062  -2.151
  364   3HG2  VAL  46          3HG2      VAL  46   7.831 -12.390  -2.260
  365    H    ASP  47           H        ASP  47   5.765 -12.922  -3.081
  366    HA   ASP  47           HA       ASP  47   5.921 -15.883  -3.323
  367   1HB   ASP  47          2HB       ASP  47   4.235 -14.577  -4.582
  368   2HB   ASP  47          1HB       ASP  47   5.529 -13.656  -5.351
  369    H    LEU  48           H        LEU  48   7.370 -13.327  -5.349
  370    HA   LEU  48           HA       LEU  48  10.055 -14.577  -4.908
  371   1HB   LEU  48          2HB       LEU  48   8.585 -15.165  -7.047
  372   2HB   LEU  48          1HB       LEU  48   9.209 -13.616  -7.617
  373    HG   LEU  48           HG       LEU  48  11.423 -14.922  -6.496
  374   1HD1  LEU  48          1HD1      LEU  48  11.441 -17.125  -7.252
  375   2HD1  LEU  48          2HD1      LEU  48  10.198 -16.825  -8.467
  376   3HD1  LEU  48          3HD1      LEU  48   9.755 -16.950  -6.765
  377   1HD2  LEU  48          1HD2      LEU  48  12.000 -15.180  -9.012
  378   2HD2  LEU  48          2HD2      LEU  48  11.696 -13.552  -8.406
  379   3HD2  LEU  48          3HD2      LEU  48  10.442 -14.407  -9.303
  380    H    PHE  49           H        PHE  49  11.791 -13.090  -5.029
  381    HA   PHE  49           HA       PHE  49  11.427 -10.419  -4.263
  382   1HB   PHE  49          2HB       PHE  49  13.524 -12.185  -5.061
  383   2HB   PHE  49          1HB       PHE  49  13.762 -10.660  -5.913
  384    HD1  PHE  49           HD1      PHE  49  14.843 -12.281  -3.143
  385    HD2  PHE  49           HD2      PHE  49  12.904  -8.588  -4.172
  386    HE1  PHE  49           HE1      PHE  49  15.704 -11.247  -1.059
  387    HE2  PHE  49           HE2      PHE  49  13.765  -7.555  -2.088
  388    HZ   PHE  49           HZ       PHE  49  15.166  -8.885  -0.532
  389    H    TYR  50           H        TYR  50  11.715 -11.746  -7.561
  390    HA   TYR  50           HA       TYR  50  11.519  -9.111  -8.824
  391   1HB   TYR  50          2HB       TYR  50  11.514 -11.995  -9.732
  392   2HB   TYR  50          1HB       TYR  50  11.302 -10.665 -10.871
  393    HD1  TYR  50           HD1      TYR  50  13.072  -8.761 -10.799
  394    HD2  TYR  50           HD2      TYR  50  13.674 -12.654  -9.088
  395    HE1  TYR  50           HE1      TYR  50  15.525  -8.398 -10.837
  396    HE2  TYR  50           HE2      TYR  50  16.127 -12.291  -9.126
  397    HH   TYR  50           HH       TYR  50  17.594  -9.838 -10.889
  Start of MODEL   33
    1   1H    ARG   1          H1        ARG   1  -2.811  15.091 -15.562
    2   2H    ARG   1          H2        ARG   1  -2.157  16.659 -15.602
    3   3H    ARG   1          H3        ARG   1  -2.739  16.016 -14.142
    4    HA   ARG   1           HA       ARG   1  -0.937  14.161 -14.699
    5   1HB   ARG   1          2HB       ARG   1  -0.448  15.320 -16.836
    6   2HB   ARG   1          1HB       ARG   1   0.012  16.766 -15.938
    7   1HG   ARG   1          2HG       ARG   1   2.104  15.931 -15.854
    8   2HG   ARG   1          1HG       ARG   1   1.486  14.701 -14.752
    9   1HD   ARG   1          2HD       ARG   1   1.557  13.070 -16.351
   10   2HD   ARG   1          1HD       ARG   1   0.963  14.161 -17.619
   11    HE   ARG   1           HE       ARG   1   3.350  15.208 -17.428
   12   1HH1  ARG   1          1HH2      ARG   1   3.195  12.288 -15.814
   13   2HH1  ARG   1          2HH2      ARG   1   4.462  11.516 -16.708
   14   1HH2  ARG   1          1HH1      ARG   1   4.715  14.055 -19.056
   15   2HH2  ARG   1          2HH1      ARG   1   5.322  12.516 -18.542
   16    H    LYS   2           H        LYS   2  -1.775  14.879 -12.370
   17    HA   LYS   2           HA       LYS   2   0.503  15.730 -10.844
   18   1HB   LYS   2          2HB       LYS   2  -0.020  17.884 -11.890
   19   2HB   LYS   2          1HB       LYS   2  -1.695  17.764 -11.348
   20   1HG   LYS   2          2HG       LYS   2  -1.100  18.036  -9.075
   21   2HG   LYS   2          1HG       LYS   2   0.598  17.672  -9.388
   22   1HD   LYS   2          2HD       LYS   2  -0.550  19.993 -10.852
   23   2HD   LYS   2          1HD       LYS   2  -0.316  20.196  -9.115
   24   1HE   LYS   2          2HE       LYS   2   2.056  19.481  -9.362
   25   2HE   LYS   2          1HE       LYS   2   1.814  19.360 -11.117
   26   1HZ   LYS   2          1HZ       LYS   2   2.672  21.567 -10.287
   27   2HZ   LYS   2          2HZ       LYS   2   1.147  21.802  -9.574
   28   3HZ   LYS   2          3HZ       LYS   2   1.285  21.636 -11.260
   29    H    GLY   3           H        GLY   3   0.120  14.507  -9.035
   30   1HA   GLY   3          2HA       GLY   3  -2.673  14.463  -7.957
   31   2HA   GLY   3          1HA       GLY   3  -1.611  13.056  -7.899
   32    H    HIS   4           H        HIS   4   0.471  13.380  -6.651
   33    HA   HIS   4           HA       HIS   4   1.583  14.011  -4.660
   34   1HB   HIS   4          2HB       HIS   4   0.552  16.318  -5.939
   35   2HB   HIS   4          1HB       HIS   4   0.200  16.511  -4.222
   36    HD1  HIS   4           HD1      HIS   4   2.738  17.368  -6.481
   37    HD2  HIS   4           HD2      HIS   4   2.805  15.576  -2.718
   38    HE1  HIS   4           HE1      HIS   4   5.081  17.693  -5.574
   39    H    PHE   5           H        PHE   5   0.570  12.436  -3.301
   40    HA   PHE   5           HA       PHE   5  -1.682  13.505  -1.631
   41   1HB   PHE   5          2HB       PHE   5  -1.280  10.654  -2.591
   42   2HB   PHE   5          1HB       PHE   5  -2.676  11.283  -1.717
   43    HD1  PHE   5           HD1      PHE   5  -3.937  13.288  -2.820
   44    HD2  PHE   5           HD2      PHE   5  -1.281  10.658  -4.936
   45    HE1  PHE   5           HE1      PHE   5  -4.985  13.955  -4.965
   46    HE2  PHE   5           HE2      PHE   5  -2.330  11.326  -7.082
   47    HZ   PHE   5           HZ       PHE   5  -4.182  12.975  -7.096
   48    H    SER   6           H        SER   6  -1.651  10.978  -0.082
   49    HA   SER   6           HA       SER   6   0.913  11.411   1.414
   50   1HB   SER   6          2HB       SER   6  -1.869  10.604   2.316
   51   2HB   SER   6          1HB       SER   6  -0.472  10.712   3.382
   52    HG   SER   6           HG       SER   6  -0.752  12.786   3.437
   53    H    ARG   7           H        ARG   7   2.212   9.622   1.655
   54    HA   ARG   7           HA       ARG   7   1.331   7.056   0.493
   55   1HB   ARG   7          2HB       ARG   7   3.542   8.006   0.007
   56   2HB   ARG   7          1HB       ARG   7   3.929   8.026   1.729
   57   1HG   ARG   7          2HG       ARG   7   4.402   5.806   1.771
   58   2HG   ARG   7          1HG       ARG   7   3.028   5.404   0.739
   59   1HD   ARG   7          2HD       ARG   7   4.252   5.967  -1.258
   60   2HD   ARG   7          1HD       ARG   7   5.574   6.680  -0.312
   61    HE   ARG   7           HE       ARG   7   4.880   3.806   0.084
   62   1HH1  ARG   7          1HH2      ARG   7   7.253   5.561   1.176
   63   2HH1  ARG   7          2HH2      ARG   7   8.554   4.878   0.259
   64   1HH2  ARG   7          1HH1      ARG   7   6.471   3.236  -1.975
   65   2HH2  ARG   7          2HH1      ARG   7   8.112   3.561  -1.525
   66    H    CYS   8           H        CYS   8   0.283   5.609   1.791
   67    HA   CYS   8           HA       CYS   8  -0.192   5.702   4.517
   68   1HB   CYS   8          2HB       CYS   8   0.178   3.453   2.545
   69   2HB   CYS   8          1HB       CYS   8  -0.246   3.107   4.220
   70    HA   PRO   9           HA       PRO   9   4.041   5.162   5.946
   71   1HB   PRO   9          2HB       PRO   9   3.509   5.861   8.538
   72   2HB   PRO   9          1HB       PRO   9   3.739   7.055   7.245
   73   1HG   PRO   9          2HG       PRO   9   1.223   6.063   8.478
   74   2HG   PRO   9          1HG       PRO   9   1.644   7.689   7.923
   75   1HD   PRO   9          2HD       PRO   9   0.066   5.952   6.511
   76   2HD   PRO   9          1HD       PRO   9   1.024   7.252   5.769
   77    H    LYS  10           H        LYS  10   4.998   3.691   7.622
   78    HA   LYS  10           HA       LYS  10   3.781   1.119   7.692
   79   1HB   LYS  10          2HB       LYS  10   6.187   1.574   7.934
   80   2HB   LYS  10          1HB       LYS  10   5.888   2.395   9.467
   81   1HG   LYS  10          2HG       LYS  10   4.706   0.106  10.088
   82   2HG   LYS  10          1HG       LYS  10   5.763  -0.528   8.827
   83   1HD   LYS  10          2HD       LYS  10   7.728   0.204   9.969
   84   2HD   LYS  10          1HD       LYS  10   6.792   1.203  11.082
   85   1HE   LYS  10          2HE       LYS  10   6.980  -0.605  12.479
   86   2HE   LYS  10          1HE       LYS  10   5.671  -1.280  11.489
   87   1HZ   LYS  10          1HZ       LYS  10   8.591  -1.656  11.147
   88   2HZ   LYS  10          2HZ       LYS  10   7.477  -2.014   9.915
   89   3HZ   LYS  10          3HZ       LYS  10   7.410  -2.848  11.393
   90    H    GLN  11           H        GLN  11   3.766   3.776  10.055
   91    HA   GLN  11           HA       GLN  11   2.607   2.416  12.262
   92   1HB   GLN  11          2HB       GLN  11   3.464   4.946  11.633
   93   2HB   GLN  11          1HB       GLN  11   1.720   5.187  11.741
   94   1HG   GLN  11          2HG       GLN  11   2.285   5.471  13.964
   95   2HG   GLN  11          1HG       GLN  11   2.011   3.729  13.950
   96   1HE2  GLN  11          1HE2      GLN  11   4.503   3.144  12.429
   97   2HE2  GLN  11          2HE2      GLN  11   5.784   3.392  13.515
   98    H    TYR  12           H        TYR  12   1.191   3.534   9.258
   99    HA   TYR  12           HA       TYR  12  -1.548   2.898  10.296
  100   1HB   TYR  12          2HB       TYR  12  -0.346   4.893   8.510
  101   2HB   TYR  12          1HB       TYR  12  -1.779   4.131   7.819
  102    HD1  TYR  12           HD1      TYR  12  -0.646   6.721   9.923
  103    HD2  TYR  12           HD2      TYR  12  -3.804   3.837   9.527
  104    HE1  TYR  12           HE1      TYR  12  -2.091   8.102  11.391
  105    HE2  TYR  12           HE2      TYR  12  -5.249   5.218  10.996
  106    HH   TYR  12           HH       TYR  12  -4.974   6.936  12.753
  107    H    LYS  13           H        LYS  13   0.941   1.509   8.562
  108    HA   LYS  13           HA       LYS  13  -0.733   0.213   6.497
  109   1HB   LYS  13          2HB       LYS  13   1.899   1.011   6.714
  110   2HB   LYS  13          1HB       LYS  13   2.016  -0.730   6.975
  111   1HG   LYS  13          2HG       LYS  13   1.280  -1.240   4.852
  112   2HG   LYS  13          1HG       LYS  13   0.281   0.209   4.736
  113   1HD   LYS  13          2HD       LYS  13   1.921   1.235   3.591
  114   2HD   LYS  13          1HD       LYS  13   2.987   1.062   4.987
  115   1HE   LYS  13          2HE       LYS  13   2.838  -1.497   3.742
  116   2HE   LYS  13          1HE       LYS  13   3.149  -0.304   2.466
  117   1HZ   LYS  13          1HZ       LYS  13   5.248  -0.748   3.362
  118   2HZ   LYS  13          2HZ       LYS  13   4.674  -0.763   4.961
  119   3HZ   LYS  13          3HZ       LYS  13   4.786   0.703   4.110
  120    H    HIS  14           H        HIS  14  -1.659  -0.450   9.075
  121    HA   HIS  14           HA       HIS  14  -0.455  -3.020   9.877
  122   1HB   HIS  14          2HB       HIS  14  -2.607  -1.150  10.807
  123   2HB   HIS  14          1HB       HIS  14  -2.647  -2.818  11.382
  124    HD1  HIS  14           HD1      HIS  14  -1.961  -2.115  13.797
  125    HD2  HIS  14           HD2      HIS  14   0.843  -1.099  10.885
  126    HE1  HIS  14           HE1      HIS  14   0.151  -1.465  15.034
  127    H    TYR  15           H        TYR  15  -2.801  -1.916   7.658
  128    HA   TYR  15           HA       TYR  15  -4.363  -4.431   7.674
  129   1HB   TYR  15          2HB       TYR  15  -5.568  -3.198   5.819
  130   2HB   TYR  15          1HB       TYR  15  -5.537  -2.329   7.353
  131    HD1  TYR  15           HD1      TYR  15  -4.779  -0.118   7.396
  132    HD2  TYR  15           HD2      TYR  15  -3.562  -2.698   4.183
  133    HE1  TYR  15           HE1      TYR  15  -3.644   1.791   6.292
  134    HE2  TYR  15           HE2      TYR  15  -2.428  -0.789   3.080
  135    HH   TYR  15           HH       TYR  15  -2.079   2.314   4.682
  136    H    CYS  16           H        CYS  16  -1.428  -3.371   6.427
  137    HA   CYS  16           HA       CYS  16  -1.326  -5.613   4.517
  138   1HB   CYS  16          2HB       CYS  16  -1.608  -2.735   3.782
  139   2HB   CYS  16          1HB       CYS  16  -0.488  -3.698   2.819
  140    H    ILE  17           H        ILE  17   0.552  -6.455   5.434
  141    HA   ILE  17           HA       ILE  17   2.715  -4.831   6.461
  142    HB   ILE  17           HB       ILE  17   2.624  -7.735   5.574
  143   1HG1  ILE  17          2HG1      ILE  17   0.843  -7.211   7.184
  144   2HG1  ILE  17          1HG1      ILE  17   2.098  -8.172   7.966
  145   1HG2  ILE  17          1HG2      ILE  17   4.534  -8.072   6.949
  146   2HG2  ILE  17          2HG2      ILE  17   4.359  -6.493   7.715
  147   3HG2  ILE  17          3HG2      ILE  17   4.892  -6.604   6.038
  148   1HD1  ILE  17          1HD1      ILE  17   3.117  -5.826   8.575
  149   2HD1  ILE  17          2HD1      ILE  17   1.782  -6.470   9.530
  150   3HD1  ILE  17          3HD1      ILE  17   1.473  -5.253   8.291
  151    H    LYS  18           H        LYS  18   2.933  -7.185   3.777
  152    HA   LYS  18           HA       LYS  18   5.051  -5.538   2.528
  153   1HB   LYS  18          2HB       LYS  18   5.271  -7.537   1.076
  154   2HB   LYS  18          1HB       LYS  18   5.285  -7.982   2.781
  155   1HG   LYS  18          2HG       LYS  18   2.603  -8.070   2.212
  156   2HG   LYS  18          1HG       LYS  18   3.308  -8.615   0.691
  157   1HD   LYS  18          2HD       LYS  18   2.870 -10.489   2.289
  158   2HD   LYS  18          1HD       LYS  18   4.569 -10.348   1.841
  159   1HE   LYS  18          2HE       LYS  18   3.998  -8.679   4.148
  160   2HE   LYS  18          1HE       LYS  18   3.541 -10.365   4.458
  161   1HZ   LYS  18          1HZ       LYS  18   6.027  -9.568   4.689
  162   2HZ   LYS  18          2HZ       LYS  18   6.036  -9.863   3.016
  163   3HZ   LYS  18          3HZ       LYS  18   5.646 -11.112   4.100
  164    H    GLY  19           H        GLY  19   3.057  -3.905   2.240
  165   1HA   GLY  19          2HA       GLY  19   2.376  -4.002  -0.603
  166   2HA   GLY  19          1HA       GLY  19   0.978  -4.147   0.464
  167    H    ARG  20           H        ARG  20   2.180  -1.915  -1.372
  168    HA   ARG  20           HA       ARG  20   2.375   0.281   0.639
  169   1HB   ARG  20          2HB       ARG  20   2.799   0.221  -2.369
  170   2HB   ARG  20          1HB       ARG  20   3.228   1.547  -1.289
  171   1HG   ARG  20          2HG       ARG  20   4.723  -0.053  -0.042
  172   2HG   ARG  20          1HG       ARG  20   4.404  -1.245  -1.304
  173   1HD   ARG  20          2HD       ARG  20   5.357   0.236  -3.004
  174   2HD   ARG  20          1HD       ARG  20   5.597   1.509  -1.791
  175    HE   ARG  20           HE       ARG  20   6.820  -0.839  -0.788
  176   1HH1  ARG  20          1HH2      ARG  20   7.400  -0.759  -3.864
  177   2HH1  ARG  20          2HH2      ARG  20   8.976  -0.039  -3.844
  178   1HH2  ARG  20          1HH1      ARG  20   8.738   1.018  -0.550
  179   2HH2  ARG  20          2HH1      ARG  20   9.733   0.969  -1.967
  180    H    CYS  21           H        CYS  21   0.592   1.549   1.009
  181    HA   CYS  21           HA       CYS  21  -1.614   1.492  -1.027
  182   1HB   CYS  21          2HB       CYS  21  -2.278   0.360   0.974
  183   2HB   CYS  21          1HB       CYS  21  -1.567   1.607   1.998
  184    H    ARG  22           H        ARG  22  -2.239   3.474  -1.829
  185    HA   ARG  22           HA       ARG  22  -0.977   5.911  -0.653
  186   1HB   ARG  22          2HB       ARG  22  -0.596   5.365  -3.035
  187   2HB   ARG  22          1HB       ARG  22  -2.337   5.370  -3.315
  188   1HG   ARG  22          2HG       ARG  22  -1.568   7.811  -1.987
  189   2HG   ARG  22          1HG       ARG  22  -0.575   7.583  -3.427
  190   1HD   ARG  22          2HD       ARG  22  -3.601   7.323  -3.433
  191   2HD   ARG  22          1HD       ARG  22  -2.736   8.804  -3.889
  192    HE   ARG  22           HE       ARG  22  -1.560   7.408  -5.635
  193   1HH1  ARG  22          1HH2      ARG  22  -4.390   7.723  -6.481
  194   2HH1  ARG  22          2HH2      ARG  22  -4.873   6.090  -6.799
  195   1HH2  ARG  22          1HH1      ARG  22  -2.220   4.687  -5.061
  196   2HH2  ARG  22          2HH1      ARG  22  -3.643   4.372  -5.997
  197    H    PHE  23           H        PHE  23  -2.281   7.212   0.577
  198    HA   PHE  23           HA       PHE  23  -5.246   6.891   0.344
  199   1HB   PHE  23          2HB       PHE  23  -3.747   6.593   2.487
  200   2HB   PHE  23          1HB       PHE  23  -3.783   8.357   2.525
  201    HD1  PHE  23           HD1      PHE  23  -6.328   9.251   1.844
  202    HD2  PHE  23           HD2      PHE  23  -5.324   5.604   3.880
  203    HE1  PHE  23           HE1      PHE  23  -8.594   9.187   2.848
  204    HE2  PHE  23           HE2      PHE  23  -7.590   5.541   4.885
  205    HZ   PHE  23           HZ       PHE  23  -9.226   7.332   4.369
  206    H    VAL  24           H        VAL  24  -6.191   8.465  -0.908
  207    HA   VAL  24           HA       VAL  24  -4.856  11.066  -1.313
  208    HB   VAL  24           HB       VAL  24  -7.375   9.728  -2.334
  209   1HG1  VAL  24          1HG1      VAL  24  -6.276  12.498  -2.840
  210   2HG1  VAL  24          2HG1      VAL  24  -7.911  12.048  -2.361
  211   3HG1  VAL  24          3HG1      VAL  24  -7.341  11.690  -3.990
  212   1HG2  VAL  24          1HG2      VAL  24  -4.662  10.385  -3.510
  213   2HG2  VAL  24          2HG2      VAL  24  -6.038   9.885  -4.494
  214   3HG2  VAL  24          3HG2      VAL  24  -5.376   8.788  -3.281
  215    H    VAL  25           H        VAL  25  -5.176  12.659   0.180
  216    HA   VAL  25           HA       VAL  25  -7.415  12.608   2.062
  217    HB   VAL  25           HB       VAL  25  -5.213  14.612   1.469
  218   1HG1  VAL  25          1HG1      VAL  25  -5.800  15.744   3.444
  219   2HG1  VAL  25          2HG1      VAL  25  -6.754  14.390   4.048
  220   3HG1  VAL  25          3HG1      VAL  25  -7.367  15.379   2.723
  221   1HG2  VAL  25          1HG2      VAL  25  -4.623  13.460   3.864
  222   2HG2  VAL  25          2HG2      VAL  25  -3.994  12.876   2.324
  223   3HG2  VAL  25          3HG2      VAL  25  -5.408  12.109   3.046
  224    H    ALA  26           H        ALA  26  -6.308  15.123  -0.264
  225    HA   ALA  26           HA       ALA  26  -8.435  16.874  -0.244
  226   1HB   ALA  26          1HB       ALA  26  -7.897  17.221  -2.659
  227   2HB   ALA  26          2HB       ALA  26  -6.993  15.705  -2.649
  228   3HB   ALA  26          3HB       ALA  26  -6.443  17.066  -1.673
  229    H    GLU  27           H        GLU  27  -8.297  13.865  -2.157
  230    HA   GLU  27           HA       GLU  27 -11.284  13.966  -2.408
  231   1HB   GLU  27          2HB       GLU  27  -9.832  14.128  -4.482
  232   2HB   GLU  27          1HB       GLU  27  -9.247  12.504  -4.119
  233   1HG   GLU  27          2HG       GLU  27 -11.129  11.547  -4.918
  234   2HG   GLU  27          1HG       GLU  27 -12.160  12.664  -4.024
  235    H    GLN  28           H        GLN  28 -11.673  12.831  -0.422
  236    HA   GLN  28           HA       GLN  28 -10.505  10.742   0.841
  237   1HB   GLN  28          2HB       GLN  28 -13.118  11.798   0.544
  238   2HB   GLN  28          1HB       GLN  28 -13.274  10.044   0.437
  239   1HG   GLN  28          2HG       GLN  28 -11.848   9.883   2.523
  240   2HG   GLN  28          1HG       GLN  28 -11.987  11.635   2.670
  241   1HE2  GLN  28          1HE2      GLN  28 -13.230  11.349   4.698
  242   2HE2  GLN  28          2HE2      GLN  28 -14.855  10.863   4.646
  243    H    THR  29           H        THR  29  -9.237   9.412  -0.589
  244    HA   THR  29           HA       THR  29 -10.814   7.239  -1.873
  245    HB   THR  29           HB       THR  29  -8.913   9.160  -3.224
  246    HG1  THR  29           1HG      THR  29 -10.735   9.803  -3.995
  247   1HG2  THR  29          1HG2      THR  29  -8.027   7.177  -4.057
  248   2HG2  THR  29          2HG2      THR  29  -9.327   7.480  -5.211
  249   3HG2  THR  29          3HG2      THR  29  -9.557   6.313  -3.908
  250    HA   PRO  30           HA       PRO  30  -7.062   5.685   0.244
  251   1HB   PRO  30          2HB       PRO  30  -8.320   3.633   1.537
  252   2HB   PRO  30          1HB       PRO  30  -8.258   5.284   2.185
  253   1HG   PRO  30          2HG       PRO  30 -10.486   3.856   0.861
  254   2HG   PRO  30          1HG       PRO  30 -10.524   5.094   2.125
  255   1HD   PRO  30          2HD       PRO  30 -11.046   5.519  -0.575
  256   2HD   PRO  30          1HD       PRO  30 -10.655   6.778   0.615
  257    H    SER  31           H        SER  31  -5.821   4.400  -1.084
  258    HA   SER  31           HA       SER  31  -7.138   2.055  -2.419
  259   1HB   SER  31          2HB       SER  31  -5.758   4.396  -3.473
  260   2HB   SER  31          1HB       SER  31  -4.989   2.904  -4.008
  261    HG   SER  31           HG       SER  31  -6.795   2.323  -5.023
  262    H    CYS  32           H        CYS  32  -6.222   0.227  -1.550
  263    HA   CYS  32           HA       CYS  32  -3.431   0.360  -0.520
  264   1HB   CYS  32          2HB       CYS  32  -4.079  -1.642   0.702
  265   2HB   CYS  32          1HB       CYS  32  -5.373  -0.453   0.860
  266    H    VAL  33           H        VAL  33  -1.799  -0.524  -1.704
  267    HA   VAL  33           HA       VAL  33  -2.508  -2.465  -3.881
  268    HB   VAL  33           HB       VAL  33  -0.186  -0.519  -3.655
  269   1HG1  VAL  33          1HG1      VAL  33  -1.135  -1.783  -6.200
  270   2HG1  VAL  33          2HG1      VAL  33  -0.134  -2.736  -5.103
  271   3HG1  VAL  33          3HG1      VAL  33   0.480  -1.220  -5.763
  272   1HG2  VAL  33          1HG2      VAL  33  -1.939   0.112  -5.801
  273   2HG2  VAL  33          2HG2      VAL  33  -1.630   1.065  -4.351
  274   3HG2  VAL  33          3HG2      VAL  33  -2.945  -0.110  -4.369
  275    H    CYS  34           H        CYS  34  -1.788  -4.506  -3.416
  276    HA   CYS  34           HA       CYS  34   0.289  -4.903  -1.344
  277   1HB   CYS  34          2HB       CYS  34  -1.239  -6.951  -2.968
  278   2HB   CYS  34          1HB       CYS  34  -0.500  -7.169  -1.382
  279    H    ASP  35           H        ASP  35   2.136  -6.355  -1.784
  280    HA   ASP  35           HA       ASP  35   3.642  -5.688  -4.100
  281   1HB   ASP  35          2HB       ASP  35   3.846  -7.262  -1.715
  282   2HB   ASP  35          1HB       ASP  35   4.416  -8.242  -3.066
  283    H    GLU  36           H        GLU  36   3.488  -6.444  -6.179
  284    HA   GLU  36           HA       GLU  36   1.480  -8.066  -7.213
  285   1HB   GLU  36          2HB       GLU  36   3.781  -6.770  -8.090
  286   2HB   GLU  36          1HB       GLU  36   4.063  -8.454  -8.531
  287   1HG   GLU  36          2HG       GLU  36   1.501  -8.243  -9.321
  288   2HG   GLU  36          1HG       GLU  36   1.990  -6.560  -9.520
  289    H    GLY  37           H        GLY  37   4.756  -9.167  -6.246
  290   1HA   GLY  37          2HA       GLY  37   3.904 -11.978  -6.566
  291   2HA   GLY  37          1HA       GLY  37   5.537 -11.430  -6.187
  292    H    TYR  38           H        TYR  38   2.439 -10.715  -4.560
  293    HA   TYR  38           HA       TYR  38   3.682 -11.761  -2.043
  294   1HB   TYR  38          2HB       TYR  38   2.776  -9.929  -0.971
  295   2HB   TYR  38          1HB       TYR  38   2.893  -9.245  -2.589
  296    HD1  TYR  38           HD1      TYR  38   0.788  -9.444   0.110
  297    HD2  TYR  38           HD2      TYR  38   0.738 -10.129  -4.132
  298    HE1  TYR  38           HE1      TYR  38  -1.672  -9.121   0.083
  299    HE2  TYR  38           HE2      TYR  38  -1.720  -9.804  -4.156
  300    HH   TYR  38           HH       TYR  38  -3.459  -8.847  -2.885
  301    H    ILE  39           H        ILE  39   1.884 -12.491  -0.431
  302    HA   ILE  39           HA       ILE  39  -0.475 -13.713  -1.755
  303    HB   ILE  39           HB       ILE  39   1.586 -15.319  -0.213
  304   1HG1  ILE  39          2HG1      ILE  39   1.138 -15.009  -3.197
  305   2HG1  ILE  39          1HG1      ILE  39   2.598 -14.596  -2.297
  306   1HG2  ILE  39          1HG2      ILE  39   0.228 -17.135  -0.530
  307   2HG2  ILE  39          2HG2      ILE  39  -0.356 -16.553  -2.090
  308   3HG2  ILE  39          3HG2      ILE  39  -1.029 -15.900  -0.595
  309   1HD1  ILE  39          1HD1      ILE  39   3.063 -16.716  -3.267
  310   2HD1  ILE  39          2HD1      ILE  39   1.467 -17.341  -2.853
  311   3HD1  ILE  39          3HD1      ILE  39   2.662 -17.064  -1.586
  312    H    GLY  40           H        GLY  40  -2.188 -13.491  -0.367
  313   1HA   GLY  40          2HA       GLY  40  -2.889 -14.148   2.026
  314   2HA   GLY  40          1HA       GLY  40  -1.580 -13.078   2.530
  315    H    ALA  41           H        ALA  41  -4.523 -12.862   3.005
  316    HA   ALA  41           HA       ALA  41  -5.689 -10.811   1.392
  317   1HB   ALA  41          1HB       ALA  41  -6.496 -12.433   3.384
  318   2HB   ALA  41          2HB       ALA  41  -7.373 -10.961   2.964
  319   3HB   ALA  41          3HB       ALA  41  -6.244 -10.958   4.319
  320    H    ARG  42           H        ARG  42  -3.996 -10.560   4.548
  321    HA   ARG  42           HA       ARG  42  -3.862  -7.619   4.278
  322   1HB   ARG  42          2HB       ARG  42  -3.330  -9.717   6.348
  323   2HB   ARG  42          1HB       ARG  42  -2.545  -8.149   6.537
  324   1HG   ARG  42          2HG       ARG  42  -4.722  -7.020   6.399
  325   2HG   ARG  42          1HG       ARG  42  -5.525  -8.574   6.161
  326   1HD   ARG  42          2HD       ARG  42  -4.790  -9.330   8.379
  327   2HD   ARG  42          1HD       ARG  42  -3.912  -7.808   8.622
  328    HE   ARG  42           HE       ARG  42  -6.628  -7.243   7.884
  329   1HH1  ARG  42          1HH2      ARG  42  -5.008  -6.017  10.160
  330   2HH1  ARG  42          2HH2      ARG  42  -5.923  -6.534  11.537
  331   1HH2  ARG  42          1HH1      ARG  42  -7.680  -8.959   9.790
  332   2HH2  ARG  42          2HH1      ARG  42  -7.437  -8.199  11.327
  333    H    CYS  43           H        CYS  43  -2.210  -9.866   2.726
  334    HA   CYS  43           HA       CYS  43  -0.061  -9.900   1.736
  335   1HB   CYS  43          2HB       CYS  43   0.418  -7.232   3.066
  336   2HB   CYS  43          1HB       CYS  43   0.947  -7.779   1.477
  337    H    GLU  44           H        GLU  44  -0.024 -11.489   3.828
  338    HA   GLU  44           HA       GLU  44   2.141 -10.558   5.677
  339   1HB   GLU  44          2HB       GLU  44  -0.237 -11.355   6.397
  340   2HB   GLU  44          1HB       GLU  44   0.375 -12.972   6.048
  341   1HG   GLU  44          2HG       GLU  44   2.391 -12.304   7.534
  342   2HG   GLU  44          1HG       GLU  44   1.352 -11.000   8.108
  343    H    ARG  45           H        ARG  45   1.235 -13.063   3.359
  344    HA   ARG  45           HA       ARG  45   3.861 -14.423   3.853
  345   1HB   ARG  45          2HB       ARG  45   1.720 -15.697   4.140
  346   2HB   ARG  45          1HB       ARG  45   1.358 -15.399   2.439
  347   1HG   ARG  45          2HG       ARG  45   3.692 -16.439   1.980
  348   2HG   ARG  45          1HG       ARG  45   3.570 -17.069   3.624
  349   1HD   ARG  45          2HD       ARG  45   1.161 -17.463   1.926
  350   2HD   ARG  45          1HD       ARG  45   2.594 -18.410   1.476
  351    HE   ARG  45           HE       ARG  45   2.501 -18.670   4.225
  352   1HH1  ARG  45          1HH2      ARG  45  -0.349 -18.422   2.484
  353   2HH1  ARG  45          2HH2      ARG  45  -0.959 -19.986   2.913
  354   1HH2  ARG  45          1HH1      ARG  45   1.985 -21.012   4.430
  355   2HH2  ARG  45          2HH1      ARG  45   0.362 -21.451   4.014
  356    H    VAL  46           H        VAL  46   5.347 -13.573   2.414
  357    HA   VAL  46           HA       VAL  46   4.494 -12.709  -0.284
  358    HB   VAL  46           HB       VAL  46   6.075 -11.441   1.205
  359   1HG1  VAL  46          1HG1      VAL  46   7.758 -13.905   0.701
  360   2HG1  VAL  46          2HG1      VAL  46   7.285 -13.223   2.257
  361   3HG1  VAL  46          3HG1      VAL  46   8.447 -12.373   1.238
  362   1HG2  VAL  46          1HG2      VAL  46   7.287 -10.655  -0.599
  363   2HG2  VAL  46          2HG2      VAL  46   6.086 -11.610  -1.467
  364   3HG2  VAL  46          3HG2      VAL  46   7.692 -12.274  -1.166
  365    H    ASP  47           H        ASP  47   5.620 -13.559  -2.213
  366    HA   ASP  47           HA       ASP  47   6.173 -16.474  -1.954
  367   1HB   ASP  47          2HB       ASP  47   4.463 -15.503  -3.537
  368   2HB   ASP  47          1HB       ASP  47   5.790 -14.732  -4.408
  369    H    LEU  48           H        LEU  48   8.348 -15.485  -0.925
  370    HA   LEU  48           HA       LEU  48  10.351 -15.436  -3.144
  371   1HB   LEU  48          2HB       LEU  48   9.590 -13.189  -1.932
  372   2HB   LEU  48          1HB       LEU  48  10.728 -13.744  -0.702
  373    HG   LEU  48           HG       LEU  48  12.097 -14.174  -3.071
  374   1HD1  LEU  48          1HD1      LEU  48  10.447 -11.642  -3.232
  375   2HD1  LEU  48          2HD1      LEU  48  10.567 -12.931  -4.430
  376   3HD1  LEU  48          3HD1      LEU  48  11.940 -11.863  -4.143
  377   1HD2  LEU  48          1HD2      LEU  48  12.530 -11.527  -1.853
  378   2HD2  LEU  48          2HD2      LEU  48  13.638 -12.892  -1.995
  379   3HD2  LEU  48          3HD2      LEU  48  12.460 -12.845  -0.683
  380    H    PHE  49           H        PHE  49  12.639 -15.746  -2.106
  381    HA   PHE  49           HA       PHE  49  12.887 -18.238  -0.878
  382   1HB   PHE  49          2HB       PHE  49  14.516 -15.786  -1.218
  383   2HB   PHE  49          1HB       PHE  49  15.071 -16.885   0.045
  384    HD1  PHE  49           HD1      PHE  49  15.397 -19.351  -0.544
  385    HD2  PHE  49           HD2      PHE  49  14.879 -16.280  -3.502
  386    HE1  PHE  49           HE1      PHE  49  16.359 -20.851  -2.270
  387    HE2  PHE  49           HE2      PHE  49  15.841 -17.780  -5.228
  388    HZ   PHE  49           HZ       PHE  49  16.580 -20.065  -4.612
  389    H    TYR  50           H        TYR  50  13.337 -15.143   0.885
  390    HA   TYR  50           HA       TYR  50  13.094 -16.392   3.485
  391   1HB   TYR  50          2HB       TYR  50  14.375 -14.351   3.080
  392   2HB   TYR  50          1HB       TYR  50  12.924 -13.520   2.517
  393    HD1  TYR  50           HD1      TYR  50  14.123 -15.480   5.489
  394    HD2  TYR  50           HD2      TYR  50  11.759 -12.199   4.041
  395    HE1  TYR  50           HE1      TYR  50  13.584 -14.838   7.823
  396    HE2  TYR  50           HE2      TYR  50  11.220 -11.556   6.375
  397    HH   TYR  50           HH       TYR  50  12.873 -12.857   9.066
  Start of MODEL   34
    1   1H    ARG   1          H1        ARG   1   2.205  19.091 -13.605
    2   2H    ARG   1          H2        ARG   1   0.507  19.020 -13.643
    3   3H    ARG   1          H3        ARG   1   1.429  17.887 -14.513
    4    HA   ARG   1           HA       ARG   1   2.076  16.733 -12.613
    5   1HB   ARG   1          2HB       ARG   1   1.366  19.376 -11.324
    6   2HB   ARG   1          1HB       ARG   1   1.677  17.930 -10.364
    7   1HG   ARG   1          2HG       ARG   1   3.669  18.599 -12.476
    8   2HG   ARG   1          1HG       ARG   1   3.637  19.636 -11.048
    9   1HD   ARG   1          2HD       ARG   1   4.036  17.771  -9.576
   10   2HD   ARG   1          1HD       ARG   1   3.779  16.606 -10.891
   11    HE   ARG   1           HE       ARG   1   5.802  18.348 -11.779
   12   1HH1  ARG   1          1HH1      ARG   1   5.469  16.869  -8.741
   13   2HH1  ARG   1          2HH1      ARG   1   7.028  16.114  -8.762
   14   1HH2  ARG   1          1HH2      ARG   1   7.734  17.056 -12.024
   15   2HH2  ARG   1          2HH2      ARG   1   8.311  16.222 -10.620
   16    H    LYS   2           H        LYS   2   0.556  15.143 -12.402
   17    HA   LYS   2           HA       LYS   2  -2.151  15.865 -11.382
   18   1HB   LYS   2          2HB       LYS   2  -1.748  15.652 -14.023
   19   2HB   LYS   2          1HB       LYS   2  -1.942  13.937 -13.656
   20   1HG   LYS   2          2HG       LYS   2  -4.164  14.392 -13.875
   21   2HG   LYS   2          1HG       LYS   2  -4.007  14.997 -12.226
   22   1HD   LYS   2          2HD       LYS   2  -4.932  16.868 -13.201
   23   2HD   LYS   2          1HD       LYS   2  -3.230  17.205 -13.522
   24   1HE   LYS   2          2HE       LYS   2  -3.685  17.211 -15.739
   25   2HE   LYS   2          1HE       LYS   2  -4.176  15.510 -15.621
   26   1HZ   LYS   2          1HZ       LYS   2  -5.899  17.364 -16.284
   27   2HZ   LYS   2          2HZ       LYS   2  -6.005  17.554 -14.599
   28   3HZ   LYS   2          3HZ       LYS   2  -6.354  16.052 -15.310
   29    H    GLY   3           H        GLY   3  -2.371  14.567  -9.600
   30   1HA   GLY   3          2HA       GLY   3  -2.779  12.328  -8.709
   31   2HA   GLY   3          1HA       GLY   3  -1.598  11.698  -9.859
   32    H    HIS   4           H        HIS   4  -1.802  13.942  -7.082
   33    HA   HIS   4           HA       HIS   4   0.824  12.851  -6.147
   34   1HB   HIS   4          2HB       HIS   4   1.325  15.300  -5.546
   35   2HB   HIS   4          1HB       HIS   4   1.364  14.895  -7.261
   36    HD1  HIS   4           HD1      HIS   4  -0.290  17.096  -4.842
   37    HD2  HIS   4           HD2      HIS   4  -1.147  15.634  -8.651
   38    HE1  HIS   4           HE1      HIS   4  -2.142  18.553  -5.769
   39    H    PHE   5           H        PHE   5  -0.808  11.680  -4.707
   40    HA   PHE   5           HA       PHE   5  -2.082  13.393  -2.639
   41   1HB   PHE   5          2HB       PHE   5  -2.098  10.379  -2.976
   42   2HB   PHE   5          1HB       PHE   5  -3.256  11.360  -2.076
   43    HD1  PHE   5           HD1      PHE   5  -4.489  13.231  -3.455
   44    HD2  PHE   5           HD2      PHE   5  -2.572   9.802  -5.193
   45    HE1  PHE   5           HE1      PHE   5  -5.854  13.508  -5.507
   46    HE2  PHE   5           HE2      PHE   5  -3.937  10.080  -7.245
   47    HZ   PHE   5           HZ       PHE   5  -5.579  11.932  -7.402
   48    H    SER   6           H        SER   6  -1.825  11.075  -0.721
   49    HA   SER   6           HA       SER   6   1.019  11.558   0.113
   50   1HB   SER   6          2HB       SER   6  -1.211  10.900   2.013
   51   2HB   SER   6          1HB       SER   6   0.240  11.857   2.294
   52    HG   SER   6           HG       SER   6  -0.712  13.565   1.443
   53    H    ARG   7           H        ARG   7   1.940   9.754   1.431
   54    HA   ARG   7           HA       ARG   7   0.916   7.110   0.478
   55   1HB   ARG   7          2HB       ARG   7   3.578   8.309   1.165
   56   2HB   ARG   7          1HB       ARG   7   3.378   6.562   1.309
   57   1HG   ARG   7          2HG       ARG   7   3.654   6.372  -0.913
   58   2HG   ARG   7          1HG       ARG   7   2.189   7.325  -1.154
   59   1HD   ARG   7          2HD       ARG   7   3.693   8.716  -2.239
   60   2HD   ARG   7          1HD       ARG   7   3.919   9.329  -0.588
   61    HE   ARG   7           HE       ARG   7   5.609   7.092  -0.828
   62   1HH1  ARG   7          1HH1      ARG   7   5.817   8.288  -3.643
   63   2HH1  ARG   7          2HH1      ARG   7   7.198   9.317  -3.458
   64   1HH2  ARG   7          1HH2      ARG   7   7.124   9.237   0.008
   65   2HH2  ARG   7          2HH2      ARG   7   7.937   9.855  -1.391
   66    H    CYS   8           H        CYS   8   0.831   5.353   2.025
   67    HA   CYS   8           HA       CYS   8   0.089   6.205   4.736
   68   1HB   CYS   8          2HB       CYS   8  -0.596   4.189   2.934
   69   2HB   CYS   8          1HB       CYS   8   0.290   3.337   4.199
   70    HA   PRO   9           HA       PRO   9   4.212   5.431   6.231
   71   1HB   PRO   9          2HB       PRO   9   3.674   5.914   8.869
   72   2HB   PRO   9          1HB       PRO   9   3.872   7.209   7.673
   73   1HG   PRO   9          2HG       PRO   9   1.384   6.066   8.828
   74   2HG   PRO   9          1HG       PRO   9   1.766   7.741   8.402
   75   1HD   PRO   9          2HD       PRO   9   0.223   6.086   6.861
   76   2HD   PRO   9          1HD       PRO   9   1.150   7.461   6.222
   77    H    LYS  10           H        LYS  10   5.216   3.843   7.742
   78    HA   LYS  10           HA       LYS  10   4.018   1.255   7.650
   79   1HB   LYS  10          2HB       LYS  10   6.476   2.291   8.113
   80   2HB   LYS  10          1HB       LYS  10   6.006   1.904   9.769
   81   1HG   LYS  10          2HG       LYS  10   6.902  -0.133   9.159
   82   2HG   LYS  10          1HG       LYS  10   5.241  -0.383   8.619
   83   1HD   LYS  10          2HD       LYS  10   6.324  -0.947   6.667
   84   2HD   LYS  10          1HD       LYS  10   6.209   0.794   6.410
   85   1HE   LYS  10          2HE       LYS  10   8.463   1.052   6.544
   86   2HE   LYS  10          1HE       LYS  10   8.562   0.039   7.998
   87   1HZ   LYS  10          1HZ       LYS  10   9.451  -0.776   5.640
   88   2HZ   LYS  10          2HZ       LYS  10   7.840  -1.300   5.514
   89   3HZ   LYS  10          3HZ       LYS  10   8.816  -1.843   6.794
   90    H    GLN  11           H        GLN  11   3.872   3.825  10.054
   91    HA   GLN  11           HA       GLN  11   2.927   2.302  12.284
   92   1HB   GLN  11          2HB       GLN  11   3.729   4.518  12.614
   93   2HB   GLN  11          1HB       GLN  11   2.671   5.169  11.361
   94   1HG   GLN  11          2HG       GLN  11   0.721   4.850  12.710
   95   2HG   GLN  11          1HG       GLN  11   1.608   3.868  13.877
   96   1HE2  GLN  11          1HE2      GLN  11   3.143   6.738  12.544
   97   2HE2  GLN  11          2HE2      GLN  11   3.033   7.681  13.952
   98    H    TYR  12           H        TYR  12   1.319   3.477   9.393
   99    HA   TYR  12           HA       TYR  12  -1.321   2.616  10.524
  100   1HB   TYR  12          2HB       TYR  12  -0.352   4.754   8.703
  101   2HB   TYR  12          1HB       TYR  12  -1.897   4.022   8.271
  102    HD1  TYR  12           HD1      TYR  12  -0.451   6.611  10.101
  103    HD2  TYR  12           HD2      TYR  12  -3.469   3.573  10.446
  104    HE1  TYR  12           HE1      TYR  12  -1.574   7.927  11.879
  105    HE2  TYR  12           HE2      TYR  12  -4.591   4.889  12.223
  106    HH   TYR  12           HH       TYR  12  -4.427   6.658  13.579
  107    H    LYS  13           H        LYS  13   1.070   1.248   8.853
  108    HA   LYS  13           HA       LYS  13  -0.480   0.209   6.557
  109   1HB   LYS  13          2HB       LYS  13   2.273   0.543   7.370
  110   2HB   LYS  13          1HB       LYS  13   1.993  -1.132   6.894
  111   1HG   LYS  13          2HG       LYS  13   1.489  -0.577   4.713
  112   2HG   LYS  13          1HG       LYS  13   0.847   1.006   5.154
  113   1HD   LYS  13          2HD       LYS  13   2.983   1.970   5.315
  114   2HD   LYS  13          1HD       LYS  13   3.778   0.405   5.494
  115   1HE   LYS  13          2HE       LYS  13   2.450   0.273   3.010
  116   2HE   LYS  13          1HE       LYS  13   3.218   1.873   3.059
  117   1HZ   LYS  13          1HZ       LYS  13   5.288   0.985   3.360
  118   2HZ   LYS  13          2HZ       LYS  13   4.599  -0.236   2.401
  119   3HZ   LYS  13          3HZ       LYS  13   4.708  -0.435   4.084
  120    H    HIS  14           H        HIS  14  -1.672  -0.497   9.023
  121    HA   HIS  14           HA       HIS  14  -0.768  -3.205   9.757
  122   1HB   HIS  14          2HB       HIS  14  -2.930  -1.274  10.593
  123   2HB   HIS  14          1HB       HIS  14  -2.939  -2.937  11.178
  124    HD1  HIS  14           HD1      HIS  14  -2.437  -1.939  13.602
  125    HD2  HIS  14           HD2      HIS  14   0.592  -1.371  10.795
  126    HE1  HIS  14           HE1      HIS  14  -0.366  -1.285  14.905
  127    H    TYR  15           H        TYR  15  -2.847  -1.770   7.455
  128    HA   TYR  15           HA       TYR  15  -4.635  -4.110   7.213
  129   1HB   TYR  15          2HB       TYR  15  -5.537  -2.694   5.324
  130   2HB   TYR  15          1HB       TYR  15  -5.529  -1.871   6.884
  131    HD1  TYR  15           HD1      TYR  15  -4.598   0.262   7.008
  132    HD2  TYR  15           HD2      TYR  15  -3.294  -2.423   3.920
  133    HE1  TYR  15           HE1      TYR  15  -3.163   2.050   6.060
  134    HE2  TYR  15           HE2      TYR  15  -1.858  -0.637   2.972
  135    HH   TYR  15           HH       TYR  15  -0.779   1.801   4.397
  136    H    CYS  16           H        CYS  16  -1.492  -3.398   6.305
  137    HA   CYS  16           HA       CYS  16  -1.483  -5.550   4.293
  138   1HB   CYS  16          2HB       CYS  16  -1.337  -2.637   3.675
  139   2HB   CYS  16          1HB       CYS  16  -0.245  -3.695   2.781
  140    H    ILE  17           H        ILE  17   0.145  -6.645   5.410
  141    HA   ILE  17           HA       ILE  17   2.363  -5.422   6.745
  142    HB   ILE  17           HB       ILE  17   1.922  -8.169   5.538
  143   1HG1  ILE  17          2HG1      ILE  17   1.575  -7.036   8.332
  144   2HG1  ILE  17          1HG1      ILE  17   0.295  -7.604   7.259
  145   1HG2  ILE  17          1HG2      ILE  17   3.690  -8.801   7.293
  146   2HG2  ILE  17          2HG2      ILE  17   4.086  -7.083   7.347
  147   3HG2  ILE  17          3HG2      ILE  17   4.275  -7.985   5.844
  148   1HD1  ILE  17          1HD1      ILE  17   1.838  -9.131   9.115
  149   2HD1  ILE  17          2HD1      ILE  17   2.241  -9.686   7.490
  150   3HD1  ILE  17          3HD1      ILE  17   0.563  -9.697   8.035
  151    H    LYS  18           H        LYS  18   2.602  -7.437   3.787
  152    HA   LYS  18           HA       LYS  18   4.974  -5.830   2.972
  153   1HB   LYS  18          2HB       LYS  18   5.421  -7.746   1.532
  154   2HB   LYS  18          1HB       LYS  18   5.017  -8.333   3.144
  155   1HG   LYS  18          2HG       LYS  18   2.563  -8.380   2.182
  156   2HG   LYS  18          1HG       LYS  18   3.391  -8.439   0.627
  157   1HD   LYS  18          2HD       LYS  18   3.636 -10.390   2.927
  158   2HD   LYS  18          1HD       LYS  18   3.065 -10.716   1.289
  159   1HE   LYS  18          2HE       LYS  18   5.892  -9.842   1.990
  160   2HE   LYS  18          1HE       LYS  18   5.405 -11.501   1.594
  161   1HZ   LYS  18          1HZ       LYS  18   4.503 -10.681  -0.509
  162   2HZ   LYS  18          2HZ       LYS  18   6.167 -10.358  -0.391
  163   3HZ   LYS  18          3HZ       LYS  18   5.037  -9.115  -0.140
  164    H    GLY  19           H        GLY  19   3.074  -4.123   2.518
  165   1HA   GLY  19          2HA       GLY  19   2.760  -4.069  -0.389
  166   2HA   GLY  19          1HA       GLY  19   1.234  -4.225   0.483
  167    H    ARG  20           H        ARG  20   2.261  -1.947  -1.133
  168    HA   ARG  20           HA       ARG  20   2.505   0.162   0.976
  169   1HB   ARG  20          2HB       ARG  20   3.246  -0.116  -1.932
  170   2HB   ARG  20          1HB       ARG  20   3.101   1.488  -1.209
  171   1HG   ARG  20          2HG       ARG  20   4.648  -0.458   0.391
  172   2HG   ARG  20          1HG       ARG  20   5.386  -0.008  -1.147
  173   1HD   ARG  20          2HD       ARG  20   4.403   2.401  -0.023
  174   2HD   ARG  20          1HD       ARG  20   5.244   1.541   1.283
  175    HE   ARG  20           HE       ARG  20   7.225   1.397  -0.189
  176   1HH1  ARG  20          1HH1      ARG  20   5.773   1.797  -2.804
  177   2HH1  ARG  20          2HH1      ARG  20   6.215   3.422  -3.206
  178   1HH2  ARG  20          1HH2      ARG  20   7.308   4.198  -0.008
  179   2HH2  ARG  20          2HH2      ARG  20   7.083   4.782  -1.623
  180    H    CYS  21           H        CYS  21   1.193   2.166   0.586
  181    HA   CYS  21           HA       CYS  21  -1.169   1.846  -1.183
  182   1HB   CYS  21          2HB       CYS  21  -1.896   0.717   0.797
  183   2HB   CYS  21          1HB       CYS  21  -1.189   1.951   1.841
  184    H    ARG  22           H        ARG  22  -2.330   3.867  -1.454
  185    HA   ARG  22           HA       ARG  22  -0.870   6.288  -0.447
  186   1HB   ARG  22          2HB       ARG  22  -1.535   5.308  -3.138
  187   2HB   ARG  22          1HB       ARG  22  -2.035   6.977  -2.866
  188   1HG   ARG  22          2HG       ARG  22   0.165   7.684  -2.376
  189   2HG   ARG  22          1HG       ARG  22   0.724   6.034  -2.098
  190   1HD   ARG  22          2HD       ARG  22  -0.364   6.716  -4.810
  191   2HD   ARG  22          1HD       ARG  22   1.277   7.250  -4.393
  192    HE   ARG  22           HE       ARG  22   1.055   4.564  -3.542
  193   1HH1  ARG  22          1HH2      ARG  22   2.089   6.472  -6.102
  194   2HH1  ARG  22          2HH2      ARG  22   2.192   5.183  -7.253
  195   1HH2  ARG  22          1HH1      ARG  22   0.685   2.852  -5.173
  196   2HH2  ARG  22          2HH1      ARG  22   1.396   3.133  -6.727
  197    H    PHE  23           H        PHE  23  -2.224   7.604   0.720
  198    HA   PHE  23           HA       PHE  23  -5.167   7.167   0.503
  199   1HB   PHE  23          2HB       PHE  23  -3.630   7.132   2.645
  200   2HB   PHE  23          1HB       PHE  23  -3.779   8.886   2.540
  201    HD1  PHE  23           HD1      PHE  23  -6.353   9.603   1.871
  202    HD2  PHE  23           HD2      PHE  23  -5.159   6.111   4.071
  203    HE1  PHE  23           HE1      PHE  23  -8.606   9.476   2.891
  204    HE2  PHE  23           HE2      PHE  23  -7.414   5.986   5.094
  205    HZ   PHE  23           HZ       PHE  23  -9.139   7.668   4.505
  206    H    VAL  24           H        VAL  24  -6.241   8.588  -0.807
  207    HA   VAL  24           HA       VAL  24  -5.051  11.173  -1.551
  208    HB   VAL  24           HB       VAL  24  -7.576   9.641  -2.205
  209   1HG1  VAL  24          1HG1      VAL  24  -8.076  11.414  -3.856
  210   2HG1  VAL  24          2HG1      VAL  24  -6.717  12.360  -3.246
  211   3HG1  VAL  24          3HG1      VAL  24  -8.111  12.048  -2.211
  212   1HG2  VAL  24          1HG2      VAL  24  -4.898   9.781  -3.251
  213   2HG2  VAL  24          2HG2      VAL  24  -6.026  10.370  -4.473
  214   3HG2  VAL  24          3HG2      VAL  24  -6.232   8.760  -3.786
  215    H    VAL  25           H        VAL  25  -5.268  12.875  -0.154
  216    HA   VAL  25           HA       VAL  25  -7.374  12.948   1.884
  217    HB   VAL  25           HB       VAL  25  -5.387  15.093   1.097
  218   1HG1  VAL  25          1HG1      VAL  25  -5.845  14.597   3.923
  219   2HG1  VAL  25          2HG1      VAL  25  -7.360  14.929   3.084
  220   3HG1  VAL  25          3HG1      VAL  25  -6.037  16.093   3.010
  221   1HG2  VAL  25          1HG2      VAL  25  -3.802  13.504   1.462
  222   2HG2  VAL  25          2HG2      VAL  25  -4.955  12.397   2.207
  223   3HG2  VAL  25          3HG2      VAL  25  -4.229  13.691   3.161
  224    H    ALA  26           H        ALA  26  -6.390  15.351  -0.608
  225    HA   ALA  26           HA       ALA  26  -8.507  17.104  -0.569
  226   1HB   ALA  26          1HB       ALA  26  -7.802  17.672  -2.715
  227   2HB   ALA  26          2HB       ALA  26  -7.658  15.989  -3.222
  228   3HB   ALA  26          3HB       ALA  26  -6.427  16.705  -2.182
  229    H    GLU  27           H        GLU  27  -8.559  13.793  -1.716
  230    HA   GLU  27           HA       GLU  27 -11.530  13.965  -1.994
  231   1HB   GLU  27          2HB       GLU  27  -9.486  12.786  -3.903
  232   2HB   GLU  27          1HB       GLU  27 -11.216  12.463  -4.022
  233   1HG   GLU  27          2HG       GLU  27 -11.669  14.862  -4.274
  234   2HG   GLU  27          1HG       GLU  27  -9.950  15.217  -4.104
  235    H    GLN  28           H        GLN  28 -11.738  12.856   0.017
  236    HA   GLN  28           HA       GLN  28 -10.432  10.809   1.212
  237   1HB   GLN  28          2HB       GLN  28 -13.261  11.563   0.838
  238   2HB   GLN  28          1HB       GLN  28 -13.014   9.910   1.401
  239   1HG   GLN  28          2HG       GLN  28 -11.673  10.694   3.274
  240   2HG   GLN  28          1HG       GLN  28 -11.752  12.352   2.677
  241   1HE2  GLN  28          1HE2      GLN  28 -12.890  13.118   4.597
  242   2HE2  GLN  28          2HE2      GLN  28 -14.510  12.702   4.890
  243    H    THR  29           H        THR  29  -9.270   9.480  -0.311
  244    HA   THR  29           HA       THR  29 -10.911   7.248  -1.396
  245    HB   THR  29           HB       THR  29  -9.218   9.198  -2.958
  246    HG1  THR  29           1HG      THR  29 -11.198   8.726  -4.337
  247   1HG2  THR  29          1HG2      THR  29  -9.351   6.324  -3.311
  248   2HG2  THR  29          2HG2      THR  29  -8.385   7.509  -4.190
  249   3HG2  THR  29          3HG2      THR  29 -10.036   7.160  -4.706
  250    HA   PRO  30           HA       PRO  30  -6.973   5.795   0.420
  251   1HB   PRO  30          2HB       PRO  30  -8.071   3.656   1.718
  252   2HB   PRO  30          1HB       PRO  30  -8.041   5.289   2.410
  253   1HG   PRO  30          2HG       PRO  30 -10.276   3.808   1.153
  254   2HG   PRO  30          1HG       PRO  30 -10.299   4.991   2.468
  255   1HD   PRO  30          2HD       PRO  30 -10.996   5.508  -0.167
  256   2HD   PRO  30          1HD       PRO  30 -10.556   6.734   1.041
  257    H    SER  31           H        SER  31  -5.805   4.706  -1.137
  258    HA   SER  31           HA       SER  31  -7.091   2.338  -2.464
  259   1HB   SER  31          2HB       SER  31  -6.303   3.151  -4.455
  260   2HB   SER  31          1HB       SER  31  -6.242   4.683  -3.587
  261    HG   SER  31           HG       SER  31  -4.181   2.847  -4.159
  262    H    CYS  32           H        CYS  32  -6.209   0.537  -1.480
  263    HA   CYS  32           HA       CYS  32  -3.415   0.602  -0.503
  264   1HB   CYS  32          2HB       CYS  32  -4.064  -1.493   0.563
  265   2HB   CYS  32          1HB       CYS  32  -5.351  -0.312   0.805
  266    H    VAL  33           H        VAL  33  -1.859  -0.999  -1.180
  267    HA   VAL  33           HA       VAL  33  -2.460  -2.579  -3.624
  268    HB   VAL  33           HB       VAL  33  -0.342  -0.416  -3.382
  269   1HG1  VAL  33          1HG1      VAL  33   0.731  -1.310  -5.165
  270   2HG1  VAL  33          2HG1      VAL  33  -0.783  -1.649  -6.005
  271   3HG1  VAL  33          3HG1      VAL  33  -0.163  -2.788  -4.809
  272   1HG2  VAL  33          1HG2      VAL  33  -1.723   0.247  -5.563
  273   2HG2  VAL  33          2HG2      VAL  33  -2.266   0.741  -3.959
  274   3HG2  VAL  33          3HG2      VAL  33  -2.997  -0.659  -4.745
  275    H    CYS  34           H        CYS  34  -1.637  -4.579  -3.167
  276    HA   CYS  34           HA       CYS  34   0.533  -4.854  -1.163
  277   1HB   CYS  34          2HB       CYS  34  -0.981  -7.009  -2.654
  278   2HB   CYS  34          1HB       CYS  34  -0.191  -7.131  -1.083
  279    H    ASP  35           H        ASP  35   2.451  -6.142  -1.659
  280    HA   ASP  35           HA       ASP  35   3.782  -5.520  -4.071
  281   1HB   ASP  35          2HB       ASP  35   4.119  -7.182  -1.707
  282   2HB   ASP  35          1HB       ASP  35   4.813  -7.961  -3.131
  283    H    GLU  36           H        GLU  36   3.458  -6.282  -6.127
  284    HA   GLU  36           HA       GLU  36   1.478  -8.047  -6.975
  285   1HB   GLU  36          2HB       GLU  36   2.807  -6.604  -8.440
  286   2HB   GLU  36          1HB       GLU  36   4.254  -7.555  -8.103
  287   1HG   GLU  36          2HG       GLU  36   2.387  -9.453  -8.922
  288   2HG   GLU  36          1HG       GLU  36   2.096  -8.083  -9.994
  289    H    GLY  37           H        GLY  37   4.802  -8.850  -5.972
  290   1HA   GLY  37          2HA       GLY  37   4.295 -11.725  -6.427
  291   2HA   GLY  37          1HA       GLY  37   5.826 -11.013  -5.917
  292    H    TYR  38           H        TYR  38   2.617 -10.546  -4.450
  293    HA   TYR  38           HA       TYR  38   3.749 -11.699  -1.926
  294   1HB   TYR  38          2HB       TYR  38   2.788  -9.931  -0.801
  295   2HB   TYR  38          1HB       TYR  38   2.980  -9.159  -2.371
  296    HD1  TYR  38           HD1      TYR  38   0.776  -9.340   0.186
  297    HD2  TYR  38           HD2      TYR  38   0.872 -10.119  -4.037
  298    HE1  TYR  38           HE1      TYR  38  -1.681  -9.008   0.066
  299    HE2  TYR  38           HE2      TYR  38  -1.581  -9.785  -4.156
  300    HH   TYR  38           HH       TYR  38  -3.323  -8.246  -2.197
  301    H    ILE  39           H        ILE  39   1.850 -12.473  -0.431
  302    HA   ILE  39           HA       ILE  39  -0.409 -13.662  -1.952
  303    HB   ILE  39           HB       ILE  39   1.809 -15.150  -0.527
  304   1HG1  ILE  39          2HG1      ILE  39   2.021 -14.572  -2.976
  305   2HG1  ILE  39          1HG1      ILE  39   2.035 -16.304  -2.646
  306   1HG2  ILE  39          1HG2      ILE  39   0.478 -17.178  -0.727
  307   2HG2  ILE  39          2HG2      ILE  39  -0.831 -16.282  -1.499
  308   3HG2  ILE  39          3HG2      ILE  39  -0.438 -15.985   0.195
  309   1HD1  ILE  39          1HD1      ILE  39   0.402 -15.113  -4.488
  310   2HD1  ILE  39          2HD1      ILE  39  -0.652 -15.157  -3.074
  311   3HD1  ILE  39          3HD1      ILE  39   0.048 -16.650  -3.699
  312    H    GLY  40           H        GLY  40  -2.180 -14.187  -0.571
  313   1HA   GLY  40          2HA       GLY  40  -3.079 -14.621   1.683
  314   2HA   GLY  40          1HA       GLY  40  -1.796 -13.599   2.333
  315    H    ALA  41           H        ALA  41  -4.608 -13.220   2.836
  316    HA   ALA  41           HA       ALA  41  -5.611 -11.060   1.152
  317   1HB   ALA  41          1HB       ALA  41  -7.170 -10.948   3.292
  318   2HB   ALA  41          2HB       ALA  41  -6.360 -12.460   3.700
  319   3HB   ALA  41          3HB       ALA  41  -7.271 -12.327   2.196
  320    H    ARG  42           H        ARG  42  -3.961 -11.283   4.299
  321    HA   ARG  42           HA       ARG  42  -4.019  -8.332   4.607
  322   1HB   ARG  42          2HB       ARG  42  -3.919 -10.651   6.274
  323   2HB   ARG  42          1HB       ARG  42  -2.463  -9.705   6.583
  324   1HG   ARG  42          2HG       ARG  42  -3.829  -7.694   6.954
  325   2HG   ARG  42          1HG       ARG  42  -5.294  -8.617   6.615
  326   1HD   ARG  42          2HD       ARG  42  -5.105  -9.883   8.600
  327   2HD   ARG  42          1HD       ARG  42  -3.385  -9.486   8.793
  328    HE   ARG  42           HE       ARG  42  -4.008  -7.284   9.543
  329   1HH1  ARG  42          1HH2      ARG  42  -6.166  -9.170  10.774
  330   2HH1  ARG  42          2HH2      ARG  42  -7.579  -8.195  10.539
  331   1HH2  ARG  42          1HH1      ARG  42  -6.047  -6.046   8.289
  332   2HH2  ARG  42          2HH1      ARG  42  -7.512  -6.429   9.130
  333    H    CYS  43           H        CYS  43  -2.242 -10.286   2.745
  334    HA   CYS  43           HA       CYS  43  -0.129 -10.002   1.717
  335   1HB   CYS  43          2HB       CYS  43   0.196  -7.582   3.499
  336   2HB   CYS  43          1HB       CYS  43   0.821  -7.830   1.872
  337    H    GLU  44           H        GLU  44  -0.340 -11.720   3.971
  338    HA   GLU  44           HA       GLU  44   2.015 -11.125   5.684
  339   1HB   GLU  44          2HB       GLU  44  -0.057 -11.856   6.737
  340   2HB   GLU  44          1HB       GLU  44  -0.131 -13.270   5.686
  341   1HG   GLU  44          2HG       GLU  44   1.939 -14.142   6.663
  342   2HG   GLU  44          1HG       GLU  44   2.087 -12.705   7.675
  343    H    ARG  45           H        ARG  45   0.920 -13.442   3.222
  344    HA   ARG  45           HA       ARG  45   3.478 -14.944   3.443
  345   1HB   ARG  45          2HB       ARG  45   0.742 -15.463   2.722
  346   2HB   ARG  45          1HB       ARG  45   1.786 -15.908   1.370
  347   1HG   ARG  45          2HG       ARG  45   2.464 -17.752   2.462
  348   2HG   ARG  45          1HG       ARG  45   3.018 -16.769   3.817
  349   1HD   ARG  45          2HD       ARG  45   1.379 -17.859   4.985
  350   2HD   ARG  45          1HD       ARG  45   0.278 -16.733   4.167
  351    HE   ARG  45           HE       ARG  45   0.752 -18.812   2.337
  352   1HH1  ARG  45          1HH1      ARG  45  -0.765 -18.207   5.370
  353   2HH1  ARG  45          2HH1      ARG  45  -1.768 -19.618   5.301
  354   1HH2  ARG  45          1HH2      ARG  45  -0.454 -20.733   2.293
  355   2HH2  ARG  45          2HH2      ARG  45  -1.592 -21.046   3.560
  356    H    VAL  46           H        VAL  46   4.210 -15.671   1.043
  357    HA   VAL  46           HA       VAL  46   4.101 -13.371  -0.843
  358    HB   VAL  46           HB       VAL  46   5.976 -13.106   0.844
  359   1HG1  VAL  46          1HG1      VAL  46   6.324 -15.810   0.396
  360   2HG1  VAL  46          2HG1      VAL  46   7.494 -14.754   1.187
  361   3HG1  VAL  46          3HG1      VAL  46   7.638 -15.093  -0.537
  362   1HG2  VAL  46          1HG2      VAL  46   6.784 -13.536  -2.051
  363   2HG2  VAL  46          2HG2      VAL  46   7.669 -12.569  -0.871
  364   3HG2  VAL  46          3HG2      VAL  46   6.065 -12.063  -1.398
  365    H    ASP  47           H        ASP  47   4.866 -13.973  -2.994
  366    HA   ASP  47           HA       ASP  47   4.750 -16.927  -3.470
  367   1HB   ASP  47          2HB       ASP  47   3.306 -14.793  -4.485
  368   2HB   ASP  47          1HB       ASP  47   4.501 -15.087  -5.749
  369    H    LEU  48           H        LEU  48   7.228 -16.187  -2.630
  370    HA   LEU  48           HA       LEU  48   8.840 -15.791  -5.128
  371   1HB   LEU  48          2HB       LEU  48   8.961 -14.832  -2.344
  372   2HB   LEU  48          1HB       LEU  48  10.512 -15.395  -2.970
  373    HG   LEU  48           HG       LEU  48  10.019 -12.942  -3.390
  374   1HD1  LEU  48          1HD1      LEU  48  11.647 -14.254  -4.734
  375   2HD1  LEU  48          2HD1      LEU  48  10.844 -13.016  -5.699
  376   3HD1  LEU  48          3HD1      LEU  48  10.347 -14.703  -5.840
  377   1HD2  LEU  48          1HD2      LEU  48   8.399 -12.375  -5.099
  378   2HD2  LEU  48          2HD2      LEU  48   7.576 -13.349  -3.882
  379   3HD2  LEU  48          3HD2      LEU  48   8.063 -14.078  -5.411
  380    H    PHE  49           H        PHE  49  11.265 -16.759  -4.265
  381    HA   PHE  49           HA       PHE  49  10.780 -19.667  -4.226
  382   1HB   PHE  49          2HB       PHE  49  12.760 -17.795  -5.137
  383   2HB   PHE  49          1HB       PHE  49  13.541 -18.984  -4.093
  384    HD1  PHE  49           HD1      PHE  49  12.308 -18.342  -7.370
  385    HD2  PHE  49           HD2      PHE  49  12.899 -21.489  -4.506
  386    HE1  PHE  49           HE1      PHE  49  12.194 -20.020  -9.192
  387    HE2  PHE  49           HE2      PHE  49  12.786 -23.168  -6.328
  388    HZ   PHE  49           HZ       PHE  49  12.433 -22.433  -8.671
  389    H    TYR  50           H        TYR  50  11.729 -17.155  -1.993
  390    HA   TYR  50           HA       TYR  50  13.258 -18.466  -0.069
  391   1HB   TYR  50          2HB       TYR  50  12.390 -16.076  -0.147
  392   2HB   TYR  50          1HB       TYR  50  10.870 -16.690   0.505
  393    HD1  TYR  50           HD1      TYR  50  10.771 -17.674   2.769
  394    HD2  TYR  50           HD2      TYR  50  14.388 -15.954   1.217
  395    HE1  TYR  50           HE1      TYR  50  11.728 -17.621   5.057
  396    HE2  TYR  50           HE2      TYR  50  15.344 -15.899   3.504
  397    HH   TYR  50           HH       TYR  50  14.937 -16.207   5.674
  Start of MODEL   35
    1   1H    ARG   1          H1        ARG   1   3.807  13.252 -12.217
    2   2H    ARG   1          H2        ARG   1   3.544  13.882 -10.661
    3   3H    ARG   1          H3        ARG   1   5.120  13.795 -11.291
    4    HA   ARG   1           HA       ARG   1   4.253  16.076 -11.383
    5   1HB   ARG   1          2HB       ARG   1   5.895  15.021 -12.990
    6   2HB   ARG   1          1HB       ARG   1   4.540  14.712 -14.077
    7   1HG   ARG   1          2HG       ARG   1   4.033  17.237 -13.849
    8   2HG   ARG   1          1HG       ARG   1   5.666  17.368 -13.197
    9   1HD   ARG   1          2HD       ARG   1   5.527  15.766 -15.666
   10   2HD   ARG   1          1HD       ARG   1   5.064  17.466 -15.884
   11    HE   ARG   1           HE       ARG   1   7.398  17.284 -14.208
   12   1HH1  ARG   1          1HH1      ARG   1   7.111  19.290 -16.383
   13   2HH1  ARG   1          2HH1      ARG   1   8.261  18.741 -17.555
   14   1HH2  ARG   1          1HH2      ARG   1   8.542  15.569 -16.183
   15   2HH2  ARG   1          2HH2      ARG   1   9.072  16.633 -17.443
   16    H    LYS   2           H        LYS   2   1.987  13.713 -12.013
   17    HA   LYS   2           HA       LYS   2   0.131  15.626 -13.388
   18   1HB   LYS   2          2HB       LYS   2   0.670  12.710 -13.486
   19   2HB   LYS   2          1HB       LYS   2  -1.031  13.168 -13.575
   20   1HG   LYS   2          2HG       LYS   2  -0.753  13.726 -15.735
   21   2HG   LYS   2          1HG       LYS   2   0.412  14.959 -15.251
   22   1HD   LYS   2          2HD       LYS   2   2.007  12.819 -15.045
   23   2HD   LYS   2          1HD       LYS   2   0.890  12.193 -16.259
   24   1HE   LYS   2          2HE       LYS   2   1.339  14.072 -17.734
   25   2HE   LYS   2          1HE       LYS   2   2.325  14.862 -16.488
   26   1HZ   LYS   2          1HZ       LYS   2   2.858  12.162 -17.611
   27   2HZ   LYS   2          2HZ       LYS   2   3.820  12.994 -16.485
   28   3HZ   LYS   2          3HZ       LYS   2   3.676  13.573 -18.076
   29    H    GLY   3           H        GLY   3   0.864  14.437 -10.363
   30   1HA   GLY   3          2HA       GLY   3  -1.615  15.369  -9.211
   31   2HA   GLY   3          1HA       GLY   3  -1.542  13.607  -9.196
   32    H    HIS   4           H        HIS   4  -1.517  13.868  -6.805
   33    HA   HIS   4           HA       HIS   4   1.136  13.615  -5.724
   34   1HB   HIS   4          2HB       HIS   4   1.126  15.771  -4.444
   35   2HB   HIS   4          1HB       HIS   4   1.198  16.013  -6.189
   36    HD1  HIS   4           HD1      HIS   4  -1.059  16.739  -7.380
   37    HD2  HIS   4           HD2      HIS   4  -1.188  16.785  -3.214
   38    HE1  HIS   4           HE1      HIS   4  -3.123  18.058  -6.742
   39    H    PHE   5           H        PHE   5   0.217  11.842  -4.591
   40    HA   PHE   5           HA       PHE   5  -1.998  12.459  -2.675
   41   1HB   PHE   5          2HB       PHE   5  -0.882   9.800  -3.621
   42   2HB   PHE   5          1HB       PHE   5  -2.393  10.059  -2.750
   43    HD1  PHE   5           HD1      PHE   5  -3.816  12.127  -3.954
   44    HD2  PHE   5           HD2      PHE   5  -1.187   9.327  -5.877
   45    HE1  PHE   5           HE1      PHE   5  -4.997  12.496  -6.104
   46    HE2  PHE   5           HE2      PHE   5  -2.368   9.694  -8.027
   47    HZ   PHE   5           HZ       PHE   5  -4.273  11.279  -8.140
   48    H    SER   6           H        SER   6  -1.204   9.942  -1.206
   49    HA   SER   6           HA       SER   6   1.379  10.728   0.039
   50   1HB   SER   6          2HB       SER   6  -1.124  11.563   0.991
   51   2HB   SER   6          1HB       SER   6  -0.671  10.224   2.042
   52    HG   SER   6           HG       SER   6   0.924  12.489   1.396
   53    H    ARG   7           H        ARG   7   2.451   8.947   0.884
   54    HA   ARG   7           HA       ARG   7   1.131   6.298   0.538
   55   1HB   ARG   7          2HB       ARG   7   3.929   7.385   0.657
   56   2HB   ARG   7          1HB       ARG   7   3.659   5.674   0.982
   57   1HG   ARG   7          2HG       ARG   7   2.520   5.423  -1.181
   58   2HG   ARG   7          1HG       ARG   7   2.739   7.144  -1.506
   59   1HD   ARG   7          2HD       ARG   7   5.176   6.876  -1.496
   60   2HD   ARG   7          1HD       ARG   7   5.003   5.161  -1.073
   61    HE   ARG   7           HE       ARG   7   3.412   5.493  -3.339
   62   1HH1  ARG   7          1HH1      ARG   7   5.553   7.569  -3.985
   63   2HH1  ARG   7          2HH1      ARG   7   6.671   6.620  -4.907
   64   1HH2  ARG   7          1HH2      ARG   7   5.350   3.583  -3.878
   65   2HH2  ARG   7          2HH2      ARG   7   6.555   4.363  -4.847
   66    H    CYS   8           H        CYS   8   0.278   5.386   2.365
   67    HA   CYS   8           HA       CYS   8   0.541   6.357   5.006
   68   1HB   CYS   8          2HB       CYS   8  -0.750   4.290   3.597
   69   2HB   CYS   8          1HB       CYS   8   0.159   3.481   4.873
   70    HA   PRO   9           HA       PRO   9   4.637   5.002   5.996
   71   1HB   PRO   9          2HB       PRO   9   4.511   5.448   8.693
   72   2HB   PRO   9          1HB       PRO   9   4.691   6.755   7.504
   73   1HG   PRO   9          2HG       PRO   9   2.267   5.847   8.966
   74   2HG   PRO   9          1HG       PRO   9   2.771   7.484   8.522
   75   1HD   PRO   9          2HD       PRO   9   0.864   6.054   7.175
   76   2HD   PRO   9          1HD       PRO   9   1.842   7.342   6.440
   77    H    LYS  10           H        LYS  10   5.637   3.385   7.626
   78    HA   LYS  10           HA       LYS  10   4.287   0.865   7.476
   79   1HB   LYS  10          2HB       LYS  10   6.748   1.281   7.637
   80   2HB   LYS  10          1HB       LYS  10   6.524   1.778   9.315
   81   1HG   LYS  10          2HG       LYS  10   5.394  -0.509   9.661
   82   2HG   LYS  10          1HG       LYS  10   6.094  -0.955   8.105
   83   1HD   LYS  10          2HD       LYS  10   7.923  -1.544   9.311
   84   2HD   LYS  10          1HD       LYS  10   8.241   0.188   9.394
   85   1HE   LYS  10          2HE       LYS  10   6.414  -1.116  11.413
   86   2HE   LYS  10          1HE       LYS  10   8.174  -1.128  11.639
   87   1HZ   LYS  10          1HZ       LYS  10   8.083   1.320  11.114
   88   2HZ   LYS  10          2HZ       LYS  10   7.421   0.868  12.613
   89   3HZ   LYS  10          3HZ       LYS  10   6.400   1.223  11.301
   90    H    GLN  11           H        GLN  11   4.589   3.247  10.108
   91    HA   GLN  11           HA       GLN  11   3.385   1.677  12.178
   92   1HB   GLN  11          2HB       GLN  11   4.691   3.940  12.168
   93   2HB   GLN  11          1HB       GLN  11   3.107   4.665  11.896
   94   1HG   GLN  11          2HG       GLN  11   3.628   2.715  14.148
   95   2HG   GLN  11          1HG       GLN  11   3.834   4.456  14.339
   96   1HE2  GLN  11          1HE2      GLN  11   1.758   5.705  13.325
   97   2HE2  GLN  11          2HE2      GLN  11   0.263   5.081  13.833
   98    H    TYR  12           H        TYR  12   2.034   3.266   9.406
   99    HA   TYR  12           HA       TYR  12  -0.723   3.071  10.557
  100   1HB   TYR  12          2HB       TYR  12   0.723   4.820   8.667
  101   2HB   TYR  12          1HB       TYR  12  -0.912   4.394   8.159
  102    HD1  TYR  12           HD1      TYR  12   1.033   6.565  10.196
  103    HD2  TYR  12           HD2      TYR  12  -2.777   4.591   9.995
  104    HE1  TYR  12           HE1      TYR  12   0.102   8.196  11.815
  105    HE2  TYR  12           HE2      TYR  12  -3.708   6.223  11.614
  106    HH   TYR  12           HH       TYR  12  -2.998   7.757  13.287
  107    H    LYS  13           H        LYS  13   1.398   1.311   8.671
  108    HA   LYS  13           HA       LYS  13  -0.586   0.364   6.692
  109   1HB   LYS  13          2HB       LYS  13   2.283   0.447   7.054
  110   2HB   LYS  13          1HB       LYS  13   1.771  -1.197   6.673
  111   1HG   LYS  13          2HG       LYS  13   1.468  -0.624   4.521
  112   2HG   LYS  13          1HG       LYS  13   0.312   0.618   5.003
  113   1HD   LYS  13          2HD       LYS  13   1.801   2.180   4.369
  114   2HD   LYS  13          1HD       LYS  13   2.866   1.632   5.663
  115   1HE   LYS  13          2HE       LYS  13   2.891  -0.089   3.256
  116   2HE   LYS  13          1HE       LYS  13   3.549   1.542   3.017
  117   1HZ   LYS  13          1HZ       LYS  13   5.342   0.369   3.886
  118   2HZ   LYS  13          2HZ       LYS  13   4.377  -0.512   4.972
  119   3HZ   LYS  13          3HZ       LYS  13   4.693   1.133   5.255
  120    H    HIS  14           H        HIS  14  -1.673  -0.238   9.097
  121    HA   HIS  14           HA       HIS  14  -0.789  -2.894  10.025
  122   1HB   HIS  14          2HB       HIS  14  -2.973  -0.920  10.721
  123   2HB   HIS  14          1HB       HIS  14  -2.907  -2.517  11.464
  124    HD1  HIS  14           HD1      HIS  14   0.183  -0.528  10.618
  125    HD2  HIS  14           HD2      HIS  14  -2.017  -1.610  13.989
  126    HE1  HIS  14           HE1      HIS  14   1.577   0.134  12.627
  127    H    TYR  15           H        TYR  15  -2.912  -1.577   7.680
  128    HA   TYR  15           HA       TYR  15  -4.655  -3.969   7.580
  129   1HB   TYR  15          2HB       TYR  15  -5.631  -2.618   5.635
  130   2HB   TYR  15          1HB       TYR  15  -5.723  -1.849   7.218
  131    HD1  TYR  15           HD1      TYR  15  -5.035   0.362   7.391
  132    HD2  TYR  15           HD2      TYR  15  -3.337  -2.123   4.325
  133    HE1  TYR  15           HE1      TYR  15  -3.749   2.300   6.533
  134    HE2  TYR  15           HE2      TYR  15  -2.050  -0.182   3.467
  135    HH   TYR  15           HH       TYR  15  -2.655   3.044   4.546
  136    H    CYS  16           H        CYS  16  -1.568  -3.325   6.629
  137    HA   CYS  16           HA       CYS  16  -1.627  -5.433   4.573
  138   1HB   CYS  16          2HB       CYS  16  -1.414  -2.516   4.010
  139   2HB   CYS  16          1HB       CYS  16  -0.323  -3.571   3.111
  140    H    ILE  17           H        ILE  17   0.006  -6.618   5.562
  141    HA   ILE  17           HA       ILE  17   2.231  -5.521   6.990
  142    HB   ILE  17           HB       ILE  17   1.588  -8.155   5.659
  143   1HG1  ILE  17          2HG1      ILE  17   0.440  -7.350   7.789
  144   2HG1  ILE  17          1HG1      ILE  17   1.256  -8.910   7.913
  145   1HG2  ILE  17          1HG2      ILE  17   3.797  -8.640   5.657
  146   2HG2  ILE  17          2HG2      ILE  17   3.695  -8.628   7.418
  147   3HG2  ILE  17          3HG2      ILE  17   4.191  -7.173   6.554
  148   1HD1  ILE  17          1HD1      ILE  17   1.649  -7.081   9.767
  149   2HD1  ILE  17          2HD1      ILE  17   2.772  -6.408   8.584
  150   3HD1  ILE  17          3HD1      ILE  17   3.006  -8.049   9.188
  151    H    LYS  18           H        LYS  18   2.580  -7.394   3.969
  152    HA   LYS  18           HA       LYS  18   4.888  -5.668   3.231
  153   1HB   LYS  18          2HB       LYS  18   5.370  -7.518   1.684
  154   2HB   LYS  18          1HB       LYS  18   5.059  -8.152   3.300
  155   1HG   LYS  18          2HG       LYS  18   2.535  -8.118   2.251
  156   2HG   LYS  18          1HG       LYS  18   3.495  -8.479   0.818
  157   1HD   LYS  18          2HD       LYS  18   3.659  -9.978   3.451
  158   2HD   LYS  18          1HD       LYS  18   2.823 -10.549   2.007
  159   1HE   LYS  18          2HE       LYS  18   4.770 -11.163   0.983
  160   2HE   LYS  18          1HE       LYS  18   5.627  -9.716   1.551
  161   1HZ   LYS  18          1HZ       LYS  18   6.567 -11.377   2.834
  162   2HZ   LYS  18          2HZ       LYS  18   5.113 -12.244   2.981
  163   3HZ   LYS  18          3HZ       LYS  18   5.340 -10.806   3.855
  164    H    GLY  19           H        GLY  19   2.898  -4.029   2.836
  165   1HA   GLY  19          2HA       GLY  19   2.625  -3.857  -0.071
  166   2HA   GLY  19          1HA       GLY  19   1.097  -4.119   0.770
  167    H    ARG  20           H        ARG  20   1.829  -1.740  -0.721
  168    HA   ARG  20           HA       ARG  20   2.210   0.306   1.422
  169   1HB   ARG  20          2HB       ARG  20   2.160   0.537  -1.606
  170   2HB   ARG  20          1HB       ARG  20   2.696   1.778  -0.474
  171   1HG   ARG  20          2HG       ARG  20   4.666   0.665   0.034
  172   2HG   ARG  20          1HG       ARG  20   3.989  -0.920  -0.345
  173   1HD   ARG  20          2HD       ARG  20   3.993  -0.330  -2.764
  174   2HD   ARG  20          1HD       ARG  20   4.745   1.227  -2.361
  175    HE   ARG  20           HE       ARG  20   6.270  -0.812  -1.105
  176   1HH1  ARG  20          1HH2      ARG  20   6.230   1.228  -3.747
  177   2HH1  ARG  20          2HH2      ARG  20   7.338   0.308  -4.709
  178   1HH2  ARG  20          1HH1      ARG  20   7.362  -2.411  -2.557
  179   2HH2  ARG  20          2HH1      ARG  20   7.979  -1.752  -4.035
  180    H    CYS  21           H        CYS  21   0.818   2.416   0.738
  181    HA   CYS  21           HA       CYS  21  -1.893   1.689  -0.211
  182   1HB   CYS  21          2HB       CYS  21  -2.046   1.087   2.096
  183   2HB   CYS  21          1HB       CYS  21  -1.161   2.525   2.604
  184    H    ARG  22           H        ARG  22  -2.638   3.388  -1.410
  185    HA   ARG  22           HA       ARG  22  -1.309   6.044  -1.100
  186   1HB   ARG  22          2HB       ARG  22  -1.484   4.634  -3.278
  187   2HB   ARG  22          1HB       ARG  22  -3.170   5.154  -3.305
  188   1HG   ARG  22          2HG       ARG  22  -2.528   7.479  -3.375
  189   2HG   ARG  22          1HG       ARG  22  -0.834   7.073  -3.097
  190   1HD   ARG  22          2HD       ARG  22  -0.984   7.437  -5.453
  191   2HD   ARG  22          1HD       ARG  22  -1.028   5.670  -5.282
  192    HE   ARG  22           HE       ARG  22  -3.586   7.209  -5.344
  193   1HH1  ARG  22          1HH2      ARG  22  -3.303   4.154  -5.264
  194   2HH1  ARG  22          2HH2      ARG  22  -3.630   3.755  -6.917
  195   1HH2  ARG  22          1HH1      ARG  22  -3.202   7.000  -8.061
  196   2HH2  ARG  22          2HH1      ARG  22  -3.573   5.366  -8.501
  197    H    PHE  23           H        PHE  23  -2.478   7.198   0.441
  198    HA   PHE  23           HA       PHE  23  -5.455   7.080   0.384
  199   1HB   PHE  23          2HB       PHE  23  -3.818   6.879   2.430
  200   2HB   PHE  23          1HB       PHE  23  -3.758   8.638   2.319
  201    HD1  PHE  23           HD1      PHE  23  -6.289   9.631   1.762
  202    HD2  PHE  23           HD2      PHE  23  -5.342   6.088   3.996
  203    HE1  PHE  23           HE1      PHE  23  -8.472   9.780   2.926
  204    HE2  PHE  23           HE2      PHE  23  -7.525   6.238   5.162
  205    HZ   PHE  23           HZ       PHE  23  -9.091   8.085   4.626
  206    H    VAL  24           H        VAL  24  -6.413   8.582  -0.943
  207    HA   VAL  24           HA       VAL  24  -5.007  11.101  -1.603
  208    HB   VAL  24           HB       VAL  24  -7.696   9.984  -2.458
  209   1HG1  VAL  24          1HG1      VAL  24  -7.874  12.087  -3.305
  210   2HG1  VAL  24          2HG1      VAL  24  -6.715  11.521  -4.509
  211   3HG1  VAL  24          3HG1      VAL  24  -6.153  12.415  -3.096
  212   1HG2  VAL  24          1HG2      VAL  24  -5.266   8.822  -2.917
  213   2HG2  VAL  24          2HG2      VAL  24  -5.378   9.918  -4.296
  214   3HG2  VAL  24          3HG2      VAL  24  -6.633   8.710  -4.026
  215    H    VAL  25           H        VAL  25  -5.278  12.817  -0.247
  216    HA   VAL  25           HA       VAL  25  -7.425  12.970   1.711
  217    HB   VAL  25           HB       VAL  25  -5.390  15.005   0.739
  218   1HG1  VAL  25          1HG1      VAL  25  -7.549  15.156   2.640
  219   2HG1  VAL  25          2HG1      VAL  25  -6.394  16.407   2.184
  220   3HG1  VAL  25          3HG1      VAL  25  -6.011  15.287   3.492
  221   1HG2  VAL  25          1HG2      VAL  25  -4.722  13.893   3.266
  222   2HG2  VAL  25          2HG2      VAL  25  -3.859  13.689   1.742
  223   3HG2  VAL  25          3HG2      VAL  25  -5.113  12.540   2.204
  224    H    ALA  26           H        ALA  26  -6.539  15.231  -0.943
  225    HA   ALA  26           HA       ALA  26  -8.751  16.876  -1.022
  226   1HB   ALA  26          1HB       ALA  26  -7.333  17.428  -2.724
  227   2HB   ALA  26          2HB       ALA  26  -8.309  16.323  -3.694
  228   3HB   ALA  26          3HB       ALA  26  -6.817  15.756  -2.945
  229    H    GLU  27           H        GLU  27  -8.549  13.878  -2.971
  230    HA   GLU  27           HA       GLU  27 -11.530  13.761  -3.020
  231   1HB   GLU  27          2HB       GLU  27  -9.270  12.508  -4.601
  232   2HB   GLU  27          1HB       GLU  27 -10.939  11.965  -4.778
  233   1HG   GLU  27          2HG       GLU  27 -11.659  14.093  -5.564
  234   2HG   GLU  27          1HG       GLU  27 -10.166  14.874  -5.046
  235    H    GLN  28           H        GLN  28 -11.825  12.929  -0.863
  236    HA   GLN  28           HA       GLN  28 -10.598  11.041   0.638
  237   1HB   GLN  28          2HB       GLN  28 -12.981  10.225   1.172
  238   2HB   GLN  28          1HB       GLN  28 -12.683  11.957   1.329
  239   1HG   GLN  28          2HG       GLN  28 -13.512  11.088  -1.369
  240   2HG   GLN  28          1HG       GLN  28 -14.739  10.889  -0.118
  241   1HE2  GLN  28          1HE2      GLN  28 -15.527  12.762  -1.831
  242   2HE2  GLN  28          2HE2      GLN  28 -15.225  14.339  -1.282
  243    H    THR  29           H        THR  29  -9.362   9.532  -0.633
  244    HA   THR  29           HA       THR  29 -10.977   7.213  -1.590
  245    HB   THR  29           HB       THR  29  -8.905   8.764  -3.173
  246    HG1  THR  29           1HG      THR  29 -11.648   8.170  -3.573
  247   1HG2  THR  29          1HG2      THR  29 -10.133   6.737  -4.732
  248   2HG2  THR  29          2HG2      THR  29  -9.567   5.971  -3.247
  249   3HG2  THR  29          3HG2      THR  29  -8.437   6.861  -4.267
  250    HA   PRO  30           HA       PRO  30  -7.286   5.944   0.826
  251   1HB   PRO  30          2HB       PRO  30  -8.595   4.064   2.318
  252   2HB   PRO  30          1HB       PRO  30  -8.537   5.780   2.766
  253   1HG   PRO  30          2HG       PRO  30 -10.729   4.223   1.509
  254   2HG   PRO  30          1HG       PRO  30 -10.810   5.558   2.667
  255   1HD   PRO  30          2HD       PRO  30 -11.273   5.798  -0.041
  256   2HD   PRO  30          1HD       PRO  30 -10.802   7.136   1.029
  257    H    SER  31           H        SER  31  -6.297   4.868  -0.944
  258    HA   SER  31           HA       SER  31  -7.467   2.256  -1.803
  259   1HB   SER  31          2HB       SER  31  -6.335   4.456  -3.128
  260   2HB   SER  31          1HB       SER  31  -5.102   3.202  -3.217
  261    HG   SER  31           HG       SER  31  -7.829   2.708  -3.795
  262    H    CYS  32           H        CYS  32  -6.277   0.341  -1.541
  263    HA   CYS  32           HA       CYS  32  -3.679   0.580  -0.056
  264   1HB   CYS  32          2HB       CYS  32  -4.425  -1.461   1.141
  265   2HB   CYS  32          1HB       CYS  32  -5.581  -0.144   1.340
  266    H    VAL  33           H        VAL  33  -2.047  -0.177  -1.341
  267    HA   VAL  33           HA       VAL  33  -2.667  -2.356  -3.304
  268    HB   VAL  33           HB       VAL  33  -0.695  -0.066  -3.212
  269   1HG1  VAL  33          1HG1      VAL  33  -0.723  -2.460  -5.073
  270   2HG1  VAL  33          2HG1      VAL  33   0.569  -2.004  -3.963
  271   3HG1  VAL  33          3HG1      VAL  33   0.207  -0.989  -5.360
  272   1HG2  VAL  33          1HG2      VAL  33  -1.934   0.810  -4.945
  273   2HG2  VAL  33          2HG2      VAL  33  -3.207  -0.139  -4.178
  274   3HG2  VAL  33          3HG2      VAL  33  -2.356  -0.780  -5.583
  275    H    CYS  34           H        CYS  34  -1.273  -4.174  -3.353
  276    HA   CYS  34           HA       CYS  34   0.624  -4.389  -1.037
  277   1HB   CYS  34          2HB       CYS  34  -0.834  -6.617  -2.481
  278   2HB   CYS  34          1HB       CYS  34  -0.050  -6.691  -0.903
  279    H    ASP  35           H        ASP  35   2.525  -5.817  -1.456
  280    HA   ASP  35           HA       ASP  35   3.987  -5.161  -3.776
  281   1HB   ASP  35          2HB       ASP  35   4.358  -6.543  -1.409
  282   2HB   ASP  35          1HB       ASP  35   4.561  -7.804  -2.626
  283    H    GLU  36           H        GLU  36   3.489  -5.693  -5.863
  284    HA   GLU  36           HA       GLU  36   1.589  -7.442  -6.846
  285   1HB   GLU  36          2HB       GLU  36   3.041  -7.487  -8.889
  286   2HB   GLU  36          1HB       GLU  36   2.887  -5.870  -8.198
  287   1HG   GLU  36          2HG       GLU  36   5.045  -6.619  -6.838
  288   2HG   GLU  36          1HG       GLU  36   5.247  -7.710  -8.210
  289    H    GLY  37           H        GLY  37   4.911  -8.266  -5.866
  290   1HA   GLY  37          2HA       GLY  37   4.467 -11.102  -6.569
  291   2HA   GLY  37          1HA       GLY  37   5.975 -10.410  -5.972
  292    H    TYR  38           H        TYR  38   2.676 -10.274  -4.606
  293    HA   TYR  38           HA       TYR  38   3.776 -11.624  -2.164
  294   1HB   TYR  38          2HB       TYR  38   2.927  -9.921  -0.862
  295   2HB   TYR  38          1HB       TYR  38   3.169  -9.009  -2.346
  296    HD1  TYR  38           HD1      TYR  38   0.950  -9.315   0.191
  297    HD2  TYR  38           HD2      TYR  38   1.013  -9.656  -4.090
  298    HE1  TYR  38           HE1      TYR  38  -1.478  -8.819   0.115
  299    HE2  TYR  38           HE2      TYR  38  -1.415  -9.160  -4.165
  300    HH   TYR  38           HH       TYR  38  -3.363  -9.080  -1.300
  301    H    ILE  39           H        ILE  39   1.864 -12.478  -0.762
  302    HA   ILE  39           HA       ILE  39  -0.499 -13.306  -2.360
  303    HB   ILE  39           HB       ILE  39   1.562 -15.171  -1.141
  304   1HG1  ILE  39          2HG1      ILE  39   0.614 -14.710  -3.987
  305   2HG1  ILE  39          1HG1      ILE  39   2.197 -14.286  -3.334
  306   1HG2  ILE  39          1HG2      ILE  39   0.120 -16.997  -1.839
  307   2HG2  ILE  39          2HG2      ILE  39  -1.036 -15.865  -2.541
  308   3HG2  ILE  39          3HG2      ILE  39  -0.806 -15.921  -0.793
  309   1HD1  ILE  39          1HD1      ILE  39   1.050 -17.041  -3.799
  310   2HD1  ILE  39          2HD1      ILE  39   2.432 -16.776  -2.736
  311   3HD1  ILE  39          3HD1      ILE  39   2.541 -16.356  -4.446
  312    H    GLY  40           H        GLY  40  -2.289 -13.744  -1.025
  313   1HA   GLY  40          2HA       GLY  40  -3.027 -14.567   1.258
  314   2HA   GLY  40          1HA       GLY  40  -1.807 -13.477   1.917
  315    H    ALA  41           H        ALA  41  -4.393 -13.150   2.776
  316    HA   ALA  41           HA       ALA  41  -5.746 -11.101   1.149
  317   1HB   ALA  41          1HB       ALA  41  -6.815 -11.294   3.770
  318   2HB   ALA  41          2HB       ALA  41  -6.314 -12.923   3.314
  319   3HB   ALA  41          3HB       ALA  41  -7.451 -12.033   2.301
  320    H    ARG  42           H        ARG  42  -3.929 -11.273   4.212
  321    HA   ARG  42           HA       ARG  42  -4.092  -8.318   4.504
  322   1HB   ARG  42          2HB       ARG  42  -3.006 -10.559   6.241
  323   2HB   ARG  42          1HB       ARG  42  -3.064  -8.862   6.722
  324   1HG   ARG  42          2HG       ARG  42  -5.264  -8.982   7.220
  325   2HG   ARG  42          1HG       ARG  42  -5.632  -9.793   5.697
  326   1HD   ARG  42          2HD       ARG  42  -5.756 -11.806   6.730
  327   2HD   ARG  42          1HD       ARG  42  -4.177 -11.562   7.502
  328    HE   ARG  42           HE       ARG  42  -5.445 -10.069   9.157
  329   1HH1  ARG  42          1HH2      ARG  42  -7.710 -11.391   7.122
  330   2HH1  ARG  42          2HH2      ARG  42  -8.654 -12.159   8.356
  331   1HH2  ARG  42          1HH1      ARG  42  -6.337 -11.575  10.868
  332   2HH2  ARG  42          2HH1      ARG  42  -7.877 -12.263  10.474
  333    H    CYS  43           H        CYS  43  -2.292 -10.154   2.612
  334    HA   CYS  43           HA       CYS  43  -0.174  -9.811   1.609
  335   1HB   CYS  43          2HB       CYS  43   0.161  -7.502   3.531
  336   2HB   CYS  43          1HB       CYS  43   0.774  -7.654   1.887
  337    H    GLU  44           H        GLU  44  -0.275 -11.753   3.562
  338    HA   GLU  44           HA       GLU  44   1.998 -11.229   5.422
  339   1HB   GLU  44          2HB       GLU  44  -0.451 -12.313   5.808
  340   2HB   GLU  44          1HB       GLU  44   0.462 -13.776   5.438
  341   1HG   GLU  44          2HG       GLU  44   2.120 -13.162   7.178
  342   2HG   GLU  44          1HG       GLU  44   1.157 -11.738   7.574
  343    H    ARG  45           H        ARG  45   0.944 -13.504   2.877
  344    HA   ARG  45           HA       ARG  45   3.465 -15.010   3.004
  345   1HB   ARG  45          2HB       ARG  45   0.804 -15.311   2.014
  346   2HB   ARG  45          1HB       ARG  45   1.908 -15.517   0.653
  347   1HG   ARG  45          2HG       ARG  45   3.209 -16.948   2.571
  348   2HG   ARG  45          1HG       ARG  45   1.531 -17.214   3.047
  349   1HD   ARG  45          2HD       ARG  45   1.686 -17.455   0.193
  350   2HD   ARG  45          1HD       ARG  45   2.946 -18.475   0.913
  351    HE   ARG  45           HE       ARG  45   0.674 -18.869   2.503
  352   1HH1  ARG  45          1HH2      ARG  45   1.438 -19.098  -0.854
  353   2HH1  ARG  45          2HH2      ARG  45   0.420 -20.471  -1.126
  354   1HH2  ARG  45          1HH1      ARG  45  -0.595 -20.712   2.180
  355   2HH2  ARG  45          2HH1      ARG  45  -0.731 -21.385   0.589
  356    H    VAL  46           H        VAL  46   4.787 -15.263   0.971
  357    HA   VAL  46           HA       VAL  46   4.705 -12.922  -0.868
  358    HB   VAL  46           HB       VAL  46   6.127 -12.438   1.159
  359   1HG1  VAL  46          1HG1      VAL  46   8.413 -13.976   0.393
  360   2HG1  VAL  46          2HG1      VAL  46   7.051 -15.080   0.580
  361   3HG1  VAL  46          3HG1      VAL  46   7.525 -14.030   1.915
  362   1HG2  VAL  46          1HG2      VAL  46   6.533 -11.479  -1.166
  363   2HG2  VAL  46          2HG2      VAL  46   7.771 -12.718  -1.370
  364   3HG2  VAL  46          3HG2      VAL  46   7.942 -11.500  -0.106
  365    H    ASP  47           H        ASP  47   5.939 -13.317  -2.835
  366    HA   ASP  47           HA       ASP  47   6.904 -16.124  -3.209
  367   1HB   ASP  47          2HB       ASP  47   4.433 -15.169  -4.022
  368   2HB   ASP  47          1HB       ASP  47   5.419 -14.986  -5.474
  369    H    LEU  48           H        LEU  48   8.784 -14.251  -2.891
  370    HA   LEU  48           HA       LEU  48   9.952 -13.964  -5.581
  371   1HB   LEU  48          2HB       LEU  48   8.488 -12.009  -5.395
  372   2HB   LEU  48          1HB       LEU  48   9.197 -11.601  -3.831
  373    HG   LEU  48           HG       LEU  48  11.360 -11.891  -5.634
  374   1HD1  LEU  48          1HD1      LEU  48   9.713  -9.742  -6.805
  375   2HD1  LEU  48          2HD1      LEU  48   9.145 -11.373  -7.165
  376   3HD1  LEU  48          3HD1      LEU  48  10.788 -10.895  -7.596
  377   1HD2  LEU  48          1HD2      LEU  48  11.952  -9.925  -4.652
  378   2HD2  LEU  48          2HD2      LEU  48  10.534 -10.190  -3.637
  379   3HD2  LEU  48          3HD2      LEU  48  10.419  -9.156  -5.061
  380    H    PHE  49           H        PHE  49  10.794 -15.459  -3.303
  381    HA   PHE  49           HA       PHE  49  12.913 -13.893  -1.960
  382   1HB   PHE  49          2HB       PHE  49  11.399 -16.353  -1.585
  383   2HB   PHE  49          1HB       PHE  49  13.123 -16.617  -1.326
  384    HD1  PHE  49           HD1      PHE  49  14.135 -15.957   0.690
  385    HD2  PHE  49           HD2      PHE  49  10.329 -14.300  -0.415
  386    HE1  PHE  49           HE1      PHE  49  13.976 -14.848   2.902
  387    HE2  PHE  49           HE2      PHE  49  10.170 -13.191   1.798
  388    HZ   PHE  49           HZ       PHE  49  11.994 -13.465   3.457
  389    H    TYR  50           H        TYR  50  13.116 -17.176  -3.326
  390    HA   TYR  50           HA       TYR  50  15.868 -17.009  -4.015
  391   1HB   TYR  50          2HB       TYR  50  15.487 -19.111  -5.039
  392   2HB   TYR  50          1HB       TYR  50  14.239 -19.023  -3.802
  393    HD1  TYR  50           HD1      TYR  50  12.202 -17.285  -4.937
  394    HD2  TYR  50           HD2      TYR  50  14.625 -20.254  -6.879
  395    HE1  TYR  50           HE1      TYR  50  10.471 -17.554  -6.689
  396    HE2  TYR  50           HE2      TYR  50  12.892 -20.522  -8.631
  397    HH   TYR  50           HH       TYR  50  11.022 -19.062  -9.602
  Start of MODEL   36
    1   1H    ARG   1          H1        ARG   1   1.430  22.570  -7.633
    2   2H    ARG   1          H2        ARG   1   1.579  21.456  -8.907
    3   3H    ARG   1          H3        ARG   1   0.759  21.019  -7.483
    4    HA   ARG   1           HA       ARG   1  -0.815  22.962  -8.045
    5   1HB   ARG   1          2HB       ARG   1   0.996  22.618 -10.393
    6   2HB   ARG   1          1HB       ARG   1  -0.699  22.978 -10.729
    7   1HG   ARG   1          2HG       ARG   1   0.152  25.128 -10.529
    8   2HG   ARG   1          1HG       ARG   1  -0.338  24.823  -8.862
    9   1HD   ARG   1          2HD       ARG   1   1.810  24.910  -8.129
   10   2HD   ARG   1          1HD       ARG   1   2.365  23.833  -9.427
   11    HE   ARG   1           HE       ARG   1   2.064  25.970 -10.911
   12   1HH1  ARG   1          1HH2      ARG   1   1.519  27.432  -8.193
   13   2HH1  ARG   1          2HH2      ARG   1   3.038  28.240  -7.989
   14   1HH2  ARG   1          1HH1      ARG   1   4.666  26.356 -10.402
   15   2HH2  ARG   1          2HH1      ARG   1   4.819  27.631  -9.241
   16    H    LYS   2           H        LYS   2  -1.806  20.897  -7.193
   17    HA   LYS   2           HA       LYS   2  -3.323  19.108  -7.491
   18   1HB   LYS   2          2HB       LYS   2  -3.524  20.926  -9.718
   19   2HB   LYS   2          1HB       LYS   2  -3.790  19.278 -10.289
   20   1HG   LYS   2          2HG       LYS   2  -5.805  19.170  -9.283
   21   2HG   LYS   2          1HG       LYS   2  -5.140  19.749  -7.756
   22   1HD   LYS   2          2HD       LYS   2  -5.999  21.800  -8.102
   23   2HD   LYS   2          1HD       LYS   2  -5.203  21.906  -9.674
   24   1HE   LYS   2          2HE       LYS   2  -7.220  20.176 -10.280
   25   2HE   LYS   2          1HE       LYS   2  -8.003  21.169  -9.033
   26   1HZ   LYS   2          1HZ       LYS   2  -7.216  23.155 -10.187
   27   2HZ   LYS   2          2HZ       LYS   2  -8.212  22.220 -11.198
   28   3HZ   LYS   2          3HZ       LYS   2  -6.525  22.193 -11.401
   29    H    GLY   3           H        GLY   3  -2.056  17.261  -7.222
   30   1HA   GLY   3          2HA       GLY   3  -1.634  15.242  -8.837
   31   2HA   GLY   3          1HA       GLY   3  -0.441  16.331  -9.546
   32    H    HIS   4           H        HIS   4  -1.369  15.009  -6.353
   33    HA   HIS   4           HA       HIS   4   1.270  14.010  -5.788
   34   1HB   HIS   4          2HB       HIS   4   1.529  16.559  -5.807
   35   2HB   HIS   4          1HB       HIS   4   0.534  16.572  -4.350
   36    HD1  HIS   4           HD1      HIS   4   3.581  17.407  -4.380
   37    HD2  HIS   4           HD2      HIS   4   2.135  13.660  -3.266
   38    HE1  HIS   4           HE1      HIS   4   5.349  16.370  -2.893
   39    H    PHE   5           H        PHE   5   0.223  12.227  -4.838
   40    HA   PHE   5           HA       PHE   5  -1.833  12.680  -2.755
   41   1HB   PHE   5          2HB       PHE   5  -0.602  10.134  -3.858
   42   2HB   PHE   5          1HB       PHE   5  -2.101  10.259  -2.935
   43    HD1  PHE   5           HD1      PHE   5  -3.691  12.278  -3.974
   44    HD2  PHE   5           HD2      PHE   5  -0.920   9.809  -6.138
   45    HE1  PHE   5           HE1      PHE   5  -4.949  12.702  -6.068
   46    HE2  PHE   5           HE2      PHE   5  -2.179  10.233  -8.232
   47    HZ   PHE   5           HZ       PHE   5  -4.193  11.679  -8.198
   48    H    SER   6           H        SER   6  -1.123  10.314  -1.224
   49    HA   SER   6           HA       SER   6   1.534  10.993  -0.054
   50   1HB   SER   6          2HB       SER   6  -1.097  10.898   1.456
   51   2HB   SER   6          1HB       SER   6   0.485  11.192   2.170
   52    HG   SER   6           HG       SER   6   0.531  13.149   1.292
   53    H    ARG   7           H        ARG   7   2.581   9.153   0.655
   54    HA   ARG   7           HA       ARG   7   1.272   6.552   0.258
   55   1HB   ARG   7          2HB       ARG   7   4.028   7.395   1.217
   56   2HB   ARG   7          1HB       ARG   7   3.569   5.744   0.798
   57   1HG   ARG   7          2HG       ARG   7   4.258   6.276  -1.295
   58   2HG   ARG   7          1HG       ARG   7   2.738   7.162  -1.416
   59   1HD   ARG   7          2HD       ARG   7   3.803   9.171  -1.398
   60   2HD   ARG   7          1HD       ARG   7   4.837   8.690  -0.037
   61    HE   ARG   7           HE       ARG   7   5.380   7.626  -2.777
   62   1HH1  ARG   7          1HH1      ARG   7   7.088   6.975  -0.356
   63   2HH1  ARG   7          2HH1      ARG   7   8.410   8.072  -0.564
   64   1HH2  ARG   7          1HH2      ARG   7   6.746  10.059  -2.867
   65   2HH2  ARG   7          2HH2      ARG   7   8.218   9.819  -1.986
   66    H    CYS   8           H        CYS   8   0.131   5.583   1.884
   67    HA   CYS   8           HA       CYS   8  -0.261   6.480   4.488
   68   1HB   CYS   8          2HB       CYS   8  -0.824   4.207   2.895
   69   2HB   CYS   8          1HB       CYS   8  -0.169   3.593   4.412
   70    HA   PRO   9           HA       PRO   9   3.682   5.783   6.379
   71   1HB   PRO   9          2HB       PRO   9   2.910   6.247   8.963
   72   2HB   PRO   9          1HB       PRO   9   3.154   7.547   7.779
   73   1HG   PRO   9          2HG       PRO   9   0.627   6.312   8.741
   74   2HG   PRO   9          1HG       PRO   9   0.976   7.997   8.324
   75   1HD   PRO   9          2HD       PRO   9  -0.368   6.252   6.688
   76   2HD   PRO   9          1HD       PRO   9   0.533   7.671   6.109
   77    H    LYS  10           H        LYS  10   4.494   4.386   8.320
   78    HA   LYS  10           HA       LYS  10   3.610   1.679   7.981
   79   1HB   LYS  10          2HB       LYS  10   5.463   3.231   9.740
   80   2HB   LYS  10          1HB       LYS  10   5.055   1.588  10.234
   81   1HG   LYS  10          2HG       LYS  10   5.773   0.730   8.049
   82   2HG   LYS  10          1HG       LYS  10   6.139   2.370   7.512
   83   1HD   LYS  10          2HD       LYS  10   8.220   1.405   8.217
   84   2HD   LYS  10          1HD       LYS  10   7.737   2.536   9.480
   85   1HE   LYS  10          2HE       LYS  10   8.357   0.578  10.680
   86   2HE   LYS  10          1HE       LYS  10   6.589   0.461  10.579
   87   1HZ   LYS  10          1HZ       LYS  10   6.706  -1.007   8.791
   88   2HZ   LYS  10          2HZ       LYS  10   7.940  -1.556   9.824
   89   3HZ   LYS  10          3HZ       LYS  10   8.325  -0.632   8.451
   90    H    GLN  11           H        GLN  11   2.778   4.189  10.327
   91    HA   GLN  11           HA       GLN  11   1.487   2.495  12.259
   92   1HB   GLN  11          2HB       GLN  11   1.483   5.397  11.484
   93   2HB   GLN  11          1HB       GLN  11   0.299   4.826  12.660
   94   1HG   GLN  11          2HG       GLN  11   1.871   4.855  14.266
   95   2HG   GLN  11          1HG       GLN  11   2.834   3.698  13.346
   96   1HE2  GLN  11          1HE2      GLN  11   4.798   4.902  14.078
   97   2HE2  GLN  11          2HE2      GLN  11   5.224   6.358  13.315
   98    H    TYR  12           H        TYR  12   0.627   3.260   9.063
   99    HA   TYR  12           HA       TYR  12  -2.260   2.654   9.622
  100   1HB   TYR  12          2HB       TYR  12  -0.852   4.685   8.074
  101   2HB   TYR  12          1HB       TYR  12  -2.019   3.808   7.084
  102    HD1  TYR  12           HD1      TYR  12  -1.748   6.680   8.878
  103    HD2  TYR  12           HD2      TYR  12  -4.235   3.181   8.723
  104    HE1  TYR  12           HE1      TYR  12  -3.601   7.951   9.927
  105    HE2  TYR  12           HE2      TYR  12  -6.088   4.452   9.774
  106    HH   TYR  12           HH       TYR  12  -6.453   7.474   9.810
  107    H    LYS  13           H        LYS  13   0.554   1.324   8.420
  108    HA   LYS  13           HA       LYS  13  -0.673  -0.108   6.139
  109   1HB   LYS  13          2HB       LYS  13   1.983   0.499   7.228
  110   2HB   LYS  13          1HB       LYS  13   1.845  -1.163   6.652
  111   1HG   LYS  13          2HG       LYS  13   1.392  -0.510   4.461
  112   2HG   LYS  13          1HG       LYS  13   0.785   1.073   4.951
  113   1HD   LYS  13          2HD       LYS  13   2.958   1.386   3.923
  114   2HD   LYS  13          1HD       LYS  13   3.120   1.679   5.655
  115   1HE   LYS  13          2HE       LYS  13   4.002  -0.594   5.986
  116   2HE   LYS  13          1HE       LYS  13   3.799  -0.935   4.256
  117   1HZ   LYS  13          1HZ       LYS  13   5.331   1.401   5.242
  118   2HZ   LYS  13          2HZ       LYS  13   5.329   0.731   3.680
  119   3HZ   LYS  13          3HZ       LYS  13   6.067  -0.102   4.964
  120    H    HIS  14           H        HIS  14  -1.873  -0.639   8.735
  121    HA   HIS  14           HA       HIS  14  -0.787  -3.220   9.659
  122   1HB   HIS  14          2HB       HIS  14  -2.904  -1.255  10.420
  123   2HB   HIS  14          1HB       HIS  14  -3.125  -2.920  10.959
  124    HD1  HIS  14           HD1      HIS  14  -0.295  -3.769  11.613
  125    HD2  HIS  14           HD2      HIS  14  -1.790  -0.014  12.632
  126    HE1  HIS  14           HE1      HIS  14   1.137  -2.924  13.523
  127    H    TYR  15           H        TYR  15  -3.164  -2.047   7.420
  128    HA   TYR  15           HA       TYR  15  -4.562  -4.654   7.280
  129   1HB   TYR  15          2HB       TYR  15  -5.860  -3.382   5.507
  130   2HB   TYR  15          1HB       TYR  15  -5.896  -2.640   7.106
  131    HD1  TYR  15           HD1      TYR  15  -5.461  -0.365   7.252
  132    HD2  TYR  15           HD2      TYR  15  -3.765  -2.613   4.008
  133    HE1  TYR  15           HE1      TYR  15  -4.496   1.717   6.313
  134    HE2  TYR  15           HE2      TYR  15  -2.800  -0.530   3.070
  135    HH   TYR  15           HH       TYR  15  -2.510   2.296   4.791
  136    H    CYS  16           H        CYS  16  -1.669  -3.456   6.186
  137    HA   CYS  16           HA       CYS  16  -1.497  -5.481   4.057
  138   1HB   CYS  16          2HB       CYS  16  -1.815  -2.550   3.598
  139   2HB   CYS  16          1HB       CYS  16  -0.659  -3.399   2.571
  140    H    ILE  17           H        ILE  17   0.267  -6.290   5.343
  141    HA   ILE  17           HA       ILE  17   2.473  -4.577   6.177
  142    HB   ILE  17           HB       ILE  17   2.015  -7.566   5.969
  143   1HG1  ILE  17          2HG1      ILE  17   2.205  -5.720   8.369
  144   2HG1  ILE  17          1HG1      ILE  17   0.686  -6.237   7.636
  145   1HG2  ILE  17          1HG2      ILE  17   4.048  -7.745   7.433
  146   2HG2  ILE  17          2HG2      ILE  17   4.364  -6.037   7.125
  147   3HG2  ILE  17          3HG2      ILE  17   4.407  -7.196   5.796
  148   1HD1  ILE  17          1HD1      ILE  17   2.622  -7.791   9.275
  149   2HD1  ILE  17          2HD1      ILE  17   1.845  -8.646   7.944
  150   3HD1  ILE  17          3HD1      ILE  17   0.864  -7.902   9.206
  151    H    LYS  18           H        LYS  18   2.242  -7.213   3.757
  152    HA   LYS  18           HA       LYS  18   4.738  -6.303   2.463
  153   1HB   LYS  18          2HB       LYS  18   3.233  -8.709   2.794
  154   2HB   LYS  18          1HB       LYS  18   3.342  -8.383   1.063
  155   1HG   LYS  18          2HG       LYS  18   5.568  -8.800   1.005
  156   2HG   LYS  18          1HG       LYS  18   5.860  -7.930   2.513
  157   1HD   LYS  18          2HD       LYS  18   4.521 -10.065   3.485
  158   2HD   LYS  18          1HD       LYS  18   5.273 -10.809   2.072
  159   1HE   LYS  18          2HE       LYS  18   7.008 -11.088   3.585
  160   2HE   LYS  18          1HE       LYS  18   7.408  -9.450   3.029
  161   1HZ   LYS  18          1HZ       LYS  18   5.763 -10.185   5.391
  162   2HZ   LYS  18          2HZ       LYS  18   5.903  -8.602   4.791
  163   3HZ   LYS  18          3HZ       LYS  18   7.270  -9.406   5.402
  164    H    GLY  19           H        GLY  19   2.613  -4.393   2.301
  165   1HA   GLY  19          2HA       GLY  19   2.369  -4.197  -0.624
  166   2HA   GLY  19          1HA       GLY  19   0.840  -4.321   0.247
  167    H    ARG  20           H        ARG  20   0.935  -2.049  -1.023
  168    HA   ARG  20           HA       ARG  20   1.646  -0.026   1.066
  169   1HB   ARG  20          2HB       ARG  20   2.581   1.388  -0.709
  170   2HB   ARG  20          1HB       ARG  20   3.389  -0.181  -0.718
  171   1HG   ARG  20          2HG       ARG  20   1.109  -0.449  -2.374
  172   2HG   ARG  20          1HG       ARG  20   1.876   1.074  -2.825
  173   1HD   ARG  20          2HD       ARG  20   3.396  -1.540  -2.543
  174   2HD   ARG  20          1HD       ARG  20   2.794  -0.907  -4.088
  175    HE   ARG  20           HE       ARG  20   4.581   0.751  -2.353
  176   1HH1  ARG  20          1HH2      ARG  20   3.291   1.427  -5.128
  177   2HH1  ARG  20          2HH2      ARG  20   4.691   1.292  -6.138
  178   1HH2  ARG  20          1HH1      ARG  20   6.584  -0.354  -3.744
  179   2HH2  ARG  20          2HH1      ARG  20   6.557   0.282  -5.354
  180    H    CYS  21           H        CYS  21   0.158   1.707   1.176
  181    HA   CYS  21           HA       CYS  21  -2.190   1.530  -0.687
  182   1HB   CYS  21          2HB       CYS  21  -2.783   0.637   1.466
  183   2HB   CYS  21          1HB       CYS  21  -1.995   1.975   2.300
  184    H    ARG  22           H        ARG  22  -2.491   3.413  -1.794
  185    HA   ARG  22           HA       ARG  22  -1.079   5.870  -0.943
  186   1HB   ARG  22          2HB       ARG  22  -2.725   5.058  -3.360
  187   2HB   ARG  22          1HB       ARG  22  -1.952   6.634  -3.190
  188   1HG   ARG  22          2HG       ARG  22   0.243   5.603  -3.054
  189   2HG   ARG  22          1HG       ARG  22  -0.474   3.992  -3.044
  190   1HD   ARG  22          2HD       ARG  22  -0.700   5.988  -5.328
  191   2HD   ARG  22          1HD       ARG  22   0.347   4.554  -5.310
  192    HE   ARG  22           HE       ARG  22  -1.810   3.224  -4.952
  193   1HH1  ARG  22          1HH1      ARG  22  -2.708   6.394  -5.319
  194   2HH1  ARG  22          2HH1      ARG  22  -3.754   6.146  -6.677
  195   1HH2  ARG  22          1HH2      ARG  22  -2.754   2.865  -7.184
  196   2HH2  ARG  22          2HH2      ARG  22  -3.780   4.148  -7.734
  197    H    PHE  23           H        PHE  23  -2.169   7.120   0.544
  198    HA   PHE  23           HA       PHE  23  -5.140   7.115   0.572
  199   1HB   PHE  23          2HB       PHE  23  -3.418   6.891   2.555
  200   2HB   PHE  23          1HB       PHE  23  -3.350   8.650   2.437
  201    HD1  PHE  23           HD1      PHE  23  -5.891   9.664   1.973
  202    HD2  PHE  23           HD2      PHE  23  -4.892   6.114   4.177
  203    HE1  PHE  23           HE1      PHE  23  -8.030   9.834   3.214
  204    HE2  PHE  23           HE2      PHE  23  -7.033   6.284   5.419
  205    HZ   PHE  23           HZ       PHE  23  -8.602   8.144   4.937
  206    H    VAL  24           H        VAL  24  -6.125   8.636  -0.695
  207    HA   VAL  24           HA       VAL  24  -4.706  11.065  -1.556
  208    HB   VAL  24           HB       VAL  24  -7.544  10.062  -1.955
  209   1HG1  VAL  24          1HG1      VAL  24  -7.936  11.980  -3.064
  210   2HG1  VAL  24          2HG1      VAL  24  -6.512  11.717  -4.072
  211   3HG1  VAL  24          3HG1      VAL  24  -6.361  12.575  -2.538
  212   1HG2  VAL  24          1HG2      VAL  24  -5.003   9.761  -3.580
  213   2HG2  VAL  24          2HG2      VAL  24  -6.610   9.419  -4.222
  214   3HG2  VAL  24          3HG2      VAL  24  -5.979   8.473  -2.874
  215    H    VAL  25           H        VAL  25  -4.639  12.805  -0.195
  216    HA   VAL  25           HA       VAL  25  -6.530  13.133   2.013
  217    HB   VAL  25           HB       VAL  25  -4.379  14.964   0.901
  218   1HG1  VAL  25          1HG1      VAL  25  -5.739  14.775   3.606
  219   2HG1  VAL  25          2HG1      VAL  25  -5.860  16.108   2.459
  220   3HG1  VAL  25          3HG1      VAL  25  -4.329  15.780   3.271
  221   1HG2  VAL  25          1HG2      VAL  25  -4.120  12.377   1.984
  222   2HG2  VAL  25          2HG2      VAL  25  -3.696  13.475   3.297
  223   3HG2  VAL  25          3HG2      VAL  25  -2.833  13.562   1.762
  224    H    ALA  26           H        ALA  26  -5.648  15.271  -0.750
  225    HA   ALA  26           HA       ALA  26  -7.581  17.233  -0.568
  226   1HB   ALA  26          1HB       ALA  26  -5.802  16.884  -2.337
  227   2HB   ALA  26          2HB       ALA  26  -7.356  17.420  -2.980
  228   3HB   ALA  26          3HB       ALA  26  -6.884  15.725  -3.109
  229    H    GLU  27           H        GLU  27  -8.035  14.027  -2.063
  230    HA   GLU  27           HA       GLU  27 -11.001  14.391  -1.776
  231   1HB   GLU  27          2HB       GLU  27  -9.201  13.399  -3.915
  232   2HB   GLU  27          1HB       GLU  27 -10.643  12.420  -3.643
  233   1HG   GLU  27          2HG       GLU  27 -11.713  14.928  -3.572
  234   2HG   GLU  27          1HG       GLU  27 -10.406  15.157  -4.733
  235    H    GLN  28           H        GLN  28 -11.129  13.414   0.301
  236    HA   GLN  28           HA       GLN  28  -9.860  11.350   1.516
  237   1HB   GLN  28          2HB       GLN  28 -11.889  12.579   2.300
  238   2HB   GLN  28          1HB       GLN  28 -12.873  11.571   1.238
  239   1HG   GLN  28          2HG       GLN  28 -12.229   9.569   2.437
  240   2HG   GLN  28          1HG       GLN  28 -11.061  10.471   3.403
  241   1HE2  GLN  28          1HE2      GLN  28 -12.018  10.290   5.482
  242   2HE2  GLN  28          2HE2      GLN  28 -13.576  10.857   5.848
  243    H    THR  29           H        THR  29  -8.954   9.825   0.000
  244    HA   THR  29           HA       THR  29 -10.875   7.690  -0.786
  245    HB   THR  29           HB       THR  29  -9.087   9.289  -2.631
  246    HG1  THR  29           1HG      THR  29 -11.176  10.063  -2.349
  247   1HG2  THR  29          1HG2      THR  29  -9.925   6.476  -2.782
  248   2HG2  THR  29          2HG2      THR  29  -8.663   7.323  -3.676
  249   3HG2  THR  29          3HG2      THR  29 -10.341   7.420  -4.211
  250    HA   PRO  30           HA       PRO  30  -6.939   6.007   0.841
  251   1HB   PRO  30          2HB       PRO  30  -8.114   4.045   2.337
  252   2HB   PRO  30          1HB       PRO  30  -7.894   5.703   2.927
  253   1HG   PRO  30          2HG       PRO  30 -10.333   4.375   1.881
  254   2HG   PRO  30          1HG       PRO  30 -10.164   5.583   3.163
  255   1HD   PRO  30          2HD       PRO  30 -11.014   6.128   0.599
  256   2HD   PRO  30          1HD       PRO  30 -10.305   7.324   1.705
  257    H    SER  31           H        SER  31  -5.967   4.716  -0.687
  258    HA   SER  31           HA       SER  31  -7.531   2.394  -1.776
  259   1HB   SER  31          2HB       SER  31  -5.694   4.433  -3.010
  260   2HB   SER  31          1HB       SER  31  -5.866   2.849  -3.761
  261    HG   SER  31           HG       SER  31  -8.204   3.282  -3.602
  262    H    CYS  32           H        CYS  32  -6.653   0.539  -0.916
  263    HA   CYS  32           HA       CYS  32  -3.770   0.504  -0.180
  264   1HB   CYS  32          2HB       CYS  32  -4.419  -1.434   1.133
  265   2HB   CYS  32          1HB       CYS  32  -5.622  -0.171   1.388
  266    H    VAL  33           H        VAL  33  -2.395  -1.227  -0.917
  267    HA   VAL  33           HA       VAL  33  -3.399  -2.931  -3.140
  268    HB   VAL  33           HB       VAL  33  -1.222  -0.831  -3.271
  269   1HG1  VAL  33          1HG1      VAL  33  -0.810  -1.792  -5.592
  270   2HG1  VAL  33          2HG1      VAL  33  -1.728  -3.208  -5.077
  271   3HG1  VAL  33          3HG1      VAL  33  -0.228  -2.782  -4.253
  272   1HG2  VAL  33          1HG2      VAL  33  -3.938  -1.182  -4.320
  273   2HG2  VAL  33          2HG2      VAL  33  -2.766  -0.786  -5.577
  274   3HG2  VAL  33          3HG2      VAL  33  -2.968   0.285  -4.191
  275    H    CYS  34           H        CYS  34  -1.857  -4.702  -3.617
  276    HA   CYS  34           HA       CYS  34   0.039  -5.208  -1.342
  277   1HB   CYS  34          2HB       CYS  34  -1.497  -7.250  -2.973
  278   2HB   CYS  34          1HB       CYS  34  -0.671  -7.504  -1.436
  279    H    ASP  35           H        ASP  35   1.952  -6.478  -1.914
  280    HA   ASP  35           HA       ASP  35   3.173  -5.727  -4.409
  281   1HB   ASP  35          2HB       ASP  35   3.767  -7.568  -2.107
  282   2HB   ASP  35          1HB       ASP  35   4.801  -7.612  -3.536
  283    H    GLU  36           H        GLU  36   2.874  -6.682  -6.386
  284    HA   GLU  36           HA       GLU  36   1.138  -8.801  -6.970
  285   1HB   GLU  36          2HB       GLU  36   3.649  -7.768  -8.312
  286   2HB   GLU  36          1HB       GLU  36   2.581  -8.945  -9.078
  287   1HG   GLU  36          2HG       GLU  36   1.058  -6.729  -7.988
  288   2HG   GLU  36          1HG       GLU  36   2.290  -6.154  -9.112
  289    H    GLY  37           H        GLY  37   4.630  -8.954  -6.249
  290   1HA   GLY  37          2HA       GLY  37   4.610 -11.894  -6.507
  291   2HA   GLY  37          1HA       GLY  37   6.020 -10.898  -6.144
  292    H    TYR  38           H        TYR  38   2.877 -10.905  -4.487
  293    HA   TYR  38           HA       TYR  38   4.328 -11.723  -1.995
  294   1HB   TYR  38          2HB       TYR  38   3.229 -10.020  -0.895
  295   2HB   TYR  38          1HB       TYR  38   3.214  -9.329  -2.514
  296    HD1  TYR  38           HD1      TYR  38   1.231  -9.579   0.196
  297    HD2  TYR  38           HD2      TYR  38   1.135 -10.686  -3.951
  298    HE1  TYR  38           HE1      TYR  38  -1.249  -9.557   0.247
  299    HE2  TYR  38           HE2      TYR  38  -1.342 -10.663  -3.902
  300    HH   TYR  38           HH       TYR  38  -3.150 -10.207  -2.698
  301    H    ILE  39           H        ILE  39   2.581 -12.584  -0.318
  302    HA   ILE  39           HA       ILE  39   0.467 -14.197  -1.660
  303    HB   ILE  39           HB       ILE  39   2.547 -15.413   0.175
  304   1HG1  ILE  39          2HG1      ILE  39   2.503 -15.311  -2.860
  305   2HG1  ILE  39          1HG1      ILE  39   3.696 -14.542  -1.812
  306   1HG2  ILE  39          1HG2      ILE  39   0.690 -16.660  -1.873
  307   2HG2  ILE  39          2HG2      ILE  39   0.334 -16.561  -0.148
  308   3HG2  ILE  39          3HG2      ILE  39   1.708 -17.511  -0.712
  309   1HD1  ILE  39          1HD1      ILE  39   3.329 -17.415  -1.289
  310   2HD1  ILE  39          2HD1      ILE  39   4.817 -16.484  -1.466
  311   3HD1  ILE  39          3HD1      ILE  39   3.958 -17.056  -2.896
  312    H    GLY  40           H        GLY  40  -1.334 -13.764  -0.445
  313   1HA   GLY  40          2HA       GLY  40  -2.156 -14.440   1.948
  314   2HA   GLY  40          1HA       GLY  40  -0.989 -13.222   2.466
  315    H    ALA  41           H        ALA  41  -3.932 -13.206   2.786
  316    HA   ALA  41           HA       ALA  41  -5.149 -11.375   0.933
  317   1HB   ALA  41          1HB       ALA  41  -6.717 -11.085   2.957
  318   2HB   ALA  41          2HB       ALA  41  -5.652 -12.214   3.796
  319   3HB   ALA  41          3HB       ALA  41  -6.514 -12.728   2.346
  320    H    ARG  42           H        ARG  42  -3.781 -10.837   4.205
  321    HA   ARG  42           HA       ARG  42  -3.812  -7.905   3.749
  322   1HB   ARG  42          2HB       ARG  42  -2.964  -9.604   6.120
  323   2HB   ARG  42          1HB       ARG  42  -3.237  -7.862   6.140
  324   1HG   ARG  42          2HG       ARG  42  -5.585  -8.813   5.048
  325   2HG   ARG  42          1HG       ARG  42  -5.186 -10.058   6.231
  326   1HD   ARG  42          2HD       ARG  42  -5.976  -8.691   7.855
  327   2HD   ARG  42          1HD       ARG  42  -4.672  -7.548   7.477
  328    HE   ARG  42           HE       ARG  42  -6.253  -6.732   5.603
  329   1HH1  ARG  42          1HH1      ARG  42  -7.024  -7.471   8.832
  330   2HH1  ARG  42          2HH1      ARG  42  -8.694  -7.032   8.696
  331   1HH2  ARG  42          1HH2      ARG  42  -8.546  -6.479   5.277
  332   2HH2  ARG  42          2HH2      ARG  42  -9.556  -6.471   6.684
  333    H    CYS  43           H        CYS  43  -1.898 -10.054   2.501
  334    HA   CYS  43           HA       CYS  43   0.348 -10.018   1.773
  335   1HB   CYS  43          2HB       CYS  43   0.488  -7.344   3.183
  336   2HB   CYS  43          1HB       CYS  43   1.385  -7.864   1.757
  337    H    GLU  44           H        GLU  44   0.655 -11.755   3.448
  338    HA   GLU  44           HA       GLU  44   2.194 -10.780   5.832
  339   1HB   GLU  44          2HB       GLU  44   0.416 -13.149   5.261
  340   2HB   GLU  44          1HB       GLU  44   1.556 -13.185   6.608
  341   1HG   GLU  44          2HG       GLU  44   0.551 -11.191   7.575
  342   2HG   GLU  44          1HG       GLU  44  -0.516 -11.013   6.180
  343    H    ARG  45           H        ARG  45   2.134 -13.190   3.209
  344    HA   ARG  45           HA       ARG  45   4.950 -13.939   3.874
  345   1HB   ARG  45          2HB       ARG  45   2.556 -15.253   2.830
  346   2HB   ARG  45          1HB       ARG  45   3.979 -15.586   1.842
  347   1HG   ARG  45          2HG       ARG  45   5.220 -16.212   3.920
  348   2HG   ARG  45          1HG       ARG  45   3.726 -16.003   4.834
  349   1HD   ARG  45          2HD       ARG  45   3.516 -17.743   2.433
  350   2HD   ARG  45          1HD       ARG  45   4.468 -18.393   3.784
  351    HE   ARG  45           HE       ARG  45   2.082 -17.205   4.822
  352   1HH1  ARG  45          1HH2      ARG  45   1.253 -18.852   2.325
  353   2HH1  ARG  45          2HH2      ARG  45   0.815 -20.349   3.079
  354   1HH2  ARG  45          1HH1      ARG  45   2.355 -19.588   6.091
  355   2HH2  ARG  45          2HH1      ARG  45   1.439 -20.766   5.211
  356    H    VAL  46           H        VAL  46   6.446 -14.166   1.999
  357    HA   VAL  46           HA       VAL  46   5.746 -12.362  -0.293
  358    HB   VAL  46           HB       VAL  46   7.133 -11.230   1.419
  359   1HG1  VAL  46          1HG1      VAL  46   9.564 -12.181   1.541
  360   2HG1  VAL  46          2HG1      VAL  46   8.821 -13.689   1.011
  361   3HG1  VAL  46          3HG1      VAL  46   8.308 -12.935   2.522
  362   1HG2  VAL  46          1HG2      VAL  46   7.566 -10.458  -0.783
  363   2HG2  VAL  46          2HG2      VAL  46   8.402 -11.946  -1.227
  364   3HG2  VAL  46          3HG2      VAL  46   9.165 -10.803  -0.121
  365    H    ASP  47           H        ASP  47   6.885 -12.897  -2.282
  366    HA   ASP  47           HA       ASP  47   8.273 -15.555  -2.267
  367   1HB   ASP  47          2HB       ASP  47   5.786 -15.524  -2.924
  368   2HB   ASP  47          1HB       ASP  47   6.294 -14.639  -4.363
  369    H    LEU  48           H        LEU  48   9.616 -13.045  -2.345
  370    HA   LEU  48           HA       LEU  48  10.158 -12.317  -5.127
  371   1HB   LEU  48          2HB       LEU  48  11.451 -10.612  -4.153
  372   2HB   LEU  48          1HB       LEU  48  10.233 -10.914  -2.918
  373    HG   LEU  48           HG       LEU  48  12.257 -12.745  -2.326
  374   1HD1  LEU  48          1HD1      LEU  48  13.742 -11.548  -3.906
  375   2HD1  LEU  48          2HD1      LEU  48  14.298 -11.372  -2.243
  376   3HD1  LEU  48          3HD1      LEU  48  13.448 -10.045  -3.032
  377   1HD2  LEU  48          1HD2      LEU  48  11.364 -11.772  -0.454
  378   2HD2  LEU  48          2HD2      LEU  48  11.186 -10.200  -1.233
  379   3HD2  LEU  48          3HD2      LEU  48  12.758 -10.703  -0.611
  380    H    PHE  49           H        PHE  49  12.605 -12.283  -5.784
  381    HA   PHE  49           HA       PHE  49  13.585 -15.060  -5.631
  382   1HB   PHE  49          2HB       PHE  49  14.591 -12.580  -7.055
  383   2HB   PHE  49          1HB       PHE  49  15.120 -14.232  -7.379
  384    HD1  PHE  49           HD1      PHE  49  13.146 -11.768  -8.694
  385    HD2  PHE  49           HD2      PHE  49  12.862 -15.887  -7.507
  386    HE1  PHE  49           HE1      PHE  49  11.231 -12.083 -10.238
  387    HE2  PHE  49           HE2      PHE  49  10.948 -16.201  -9.051
  388    HZ   PHE  49           HZ       PHE  49  10.133 -14.299 -10.417
  389    H    TYR  50           H        TYR  50  13.748 -13.441  -3.171
  390    HA   TYR  50           HA       TYR  50  16.136 -12.227  -2.511
  391   1HB   TYR  50          2HB       TYR  50  15.731 -13.095  -0.271
  392   2HB   TYR  50          1HB       TYR  50  14.173 -12.773  -1.031
  393    HD1  TYR  50           HD1      TYR  50  16.666 -15.491  -0.422
  394    HD2  TYR  50           HD2      TYR  50  12.577 -14.489  -1.271
  395    HE1  TYR  50           HE1      TYR  50  16.018 -17.865  -0.104
  396    HE2  TYR  50           HE2      TYR  50  11.928 -16.861  -0.952
  397    HH   TYR  50           HH       TYR  50  14.129 -19.207   0.355
  Start of MODEL   37
    1   1H    ARG   1          H1        ARG   1   4.857  12.592 -13.489
    2   2H    ARG   1          H2        ARG   1   3.503  11.568 -13.441
    3   3H    ARG   1          H3        ARG   1   4.698  11.457 -12.239
    4    HA   ARG   1           HA       ARG   1   3.988  13.324 -11.136
    5   1HB   ARG   1          2HB       ARG   1   4.376  14.617 -13.260
    6   2HB   ARG   1          1HB       ARG   1   2.747  14.177 -13.771
    7   1HG   ARG   1          2HG       ARG   1   1.807  15.744 -12.442
    8   2HG   ARG   1          1HG       ARG   1   2.789  15.260 -11.060
    9   1HD   ARG   1          2HD       ARG   1   3.400  17.541 -11.598
   10   2HD   ARG   1          1HD       ARG   1   4.731  16.511 -12.163
   11    HE   ARG   1           HE       ARG   1   2.545  17.134 -14.079
   12   1HH1  ARG   1          1HH1      ARG   1   5.334  15.903 -14.619
   13   2HH1  ARG   1          2HH1      ARG   1   6.117  17.239 -15.394
   14   1HH2  ARG   1          1HH2      ARG   1   3.747  19.558 -14.379
   15   2HH2  ARG   1          2HH2      ARG   1   5.219  19.308 -15.256
   16    H    LYS   2           H        LYS   2   2.704  11.464 -10.243
   17    HA   LYS   2           HA       LYS   2   0.120  10.723 -11.227
   18   1HB   LYS   2          2HB       LYS   2   1.624  10.587  -8.628
   19   2HB   LYS   2          1HB       LYS   2  -0.073  10.108  -8.666
   20   1HG   LYS   2          2HG       LYS   2   2.070   9.000 -10.504
   21   2HG   LYS   2          1HG       LYS   2   1.470   8.187  -9.058
   22   1HD   LYS   2          2HD       LYS   2  -0.730   9.056 -10.737
   23   2HD   LYS   2          1HD       LYS   2   0.381   8.026 -11.640
   24   1HE   LYS   2          2HE       LYS   2  -0.198   6.171 -10.446
   25   2HE   LYS   2          1HE       LYS   2  -0.200   7.060  -8.909
   26   1HZ   LYS   2          1HZ       LYS   2  -2.277   7.381 -11.006
   27   2HZ   LYS   2          2HZ       LYS   2  -2.295   8.030  -9.436
   28   3HZ   LYS   2          3HZ       LYS   2  -2.450   6.355  -9.667
   29    H    GLY   3           H        GLY   3   1.215  13.415  -9.241
   30   1HA   GLY   3          2HA       GLY   3  -0.567  15.328  -9.564
   31   2HA   GLY   3          1HA       GLY   3  -1.601  14.197  -8.690
   32    H    HIS   4           H        HIS   4  -1.670  14.532  -6.529
   33    HA   HIS   4           HA       HIS   4   0.785  15.215  -5.039
   34   1HB   HIS   4          2HB       HIS   4  -0.850  17.218  -6.095
   35   2HB   HIS   4          1HB       HIS   4  -1.358  17.099  -4.410
   36    HD1  HIS   4           HD1      HIS   4   0.060  18.347  -2.784
   37    HD2  HIS   4           HD2      HIS   4   2.163  17.438  -6.268
   38    HE1  HIS   4           HE1      HIS   4   2.339  19.429  -2.549
   39    H    PHE   5           H        PHE   5   0.306  13.221  -3.913
   40    HA   PHE   5           HA       PHE   5  -2.010  13.443  -2.021
   41   1HB   PHE   5          2HB       PHE   5  -1.011  10.888  -3.304
   42   2HB   PHE   5          1HB       PHE   5  -2.526  11.138  -2.438
   43    HD1  PHE   5           HD1      PHE   5  -4.127  12.970  -3.423
   44    HD2  PHE   5           HD2      PHE   5  -0.978  11.066  -5.638
   45    HE1  PHE   5           HE1      PHE   5  -5.238  13.605  -5.548
   46    HE2  PHE   5           HE2      PHE   5  -2.090  11.700  -7.762
   47    HZ   PHE   5           HZ       PHE   5  -4.220  12.970  -7.717
   48    H    SER   6           H        SER   6  -1.378  10.996  -0.674
   49    HA   SER   6           HA       SER   6   1.408  11.424   0.319
   50   1HB   SER   6          2HB       SER   6  -1.169  11.399   1.916
   51   2HB   SER   6          1HB       SER   6   0.433  11.323   2.645
   52    HG   SER   6           HG       SER   6   0.879  13.315   1.534
   53    H    ARG   7           H        ARG   7   2.401   9.505   0.970
   54    HA   ARG   7           HA       ARG   7   1.075   6.988   0.261
   55   1HB   ARG   7          2HB       ARG   7   3.696   8.053   0.522
   56   2HB   ARG   7          1HB       ARG   7   3.584   6.700   1.649
   57   1HG   ARG   7          2HG       ARG   7   3.142   5.152  -0.040
   58   2HG   ARG   7          1HG       ARG   7   2.526   6.384  -1.143
   59   1HD   ARG   7          2HD       ARG   7   4.577   6.549  -2.086
   60   2HD   ARG   7          1HD       ARG   7   5.256   7.022  -0.515
   61    HE   ARG   7           HE       ARG   7   4.874   4.164  -1.331
   62   1HH1  ARG   7          1HH2      ARG   7   5.378   4.658   1.562
   63   2HH1  ARG   7          2HH2      ARG   7   7.101   4.537   1.667
   64   1HH2  ARG   7          1HH1      ARG   7   7.600   4.892  -1.746
   65   2HH2  ARG   7          2HH1      ARG   7   8.361   4.670  -0.206
   66    H    CYS   8           H        CYS   8   1.096   5.135   1.856
   67    HA   CYS   8           HA       CYS   8   0.025   6.040   4.459
   68   1HB   CYS   8          2HB       CYS   8  -0.521   4.015   2.633
   69   2HB   CYS   8          1HB       CYS   8   0.267   3.165   3.962
   70    HA   PRO   9           HA       PRO   9   3.989   5.246   6.334
   71   1HB   PRO   9          2HB       PRO   9   3.223   5.800   8.902
   72   2HB   PRO   9          1HB       PRO   9   3.552   7.065   7.701
   73   1HG   PRO   9          2HG       PRO   9   0.949   5.990   8.654
   74   2HG   PRO   9          1HG       PRO   9   1.398   7.647   8.221
   75   1HD   PRO   9          2HD       PRO   9  -0.029   5.969   6.592
   76   2HD   PRO   9          1HD       PRO   9   0.964   7.320   6.005
   77    H    LYS  10           H        LYS  10   4.778   3.717   8.085
   78    HA   LYS  10           HA       LYS  10   3.527   1.140   7.878
   79   1HB   LYS  10          2HB       LYS  10   5.838   2.434   9.159
   80   2HB   LYS  10          1HB       LYS  10   5.221   1.049  10.060
   81   1HG   LYS  10          2HG       LYS  10   5.520  -0.422   8.220
   82   2HG   LYS  10          1HG       LYS  10   5.717   0.912   7.084
   83   1HD   LYS  10          2HD       LYS  10   7.921   0.116   7.460
   84   2HD   LYS  10          1HD       LYS  10   7.790   1.560   8.464
   85   1HE   LYS  10          2HE       LYS  10   8.754  -0.078   9.905
   86   2HE   LYS  10          1HE       LYS  10   7.035  -0.079  10.346
   87   1HZ   LYS  10          1HZ       LYS  10   6.633  -1.995   9.167
   88   2HZ   LYS  10          2HZ       LYS  10   8.203  -2.307   9.737
   89   3HZ   LYS  10          3HZ       LYS  10   7.965  -1.785   8.138
   90    H    GLN  11           H        GLN  11   3.435   3.671  10.369
   91    HA   GLN  11           HA       GLN  11   2.151   2.184  12.437
   92   1HB   GLN  11          2HB       GLN  11   3.008   4.821  11.871
   93   2HB   GLN  11          1HB       GLN  11   1.306   4.946  12.315
   94   1HG   GLN  11          2HG       GLN  11   3.390   3.452  13.932
   95   2HG   GLN  11          1HG       GLN  11   2.833   5.087  14.289
   96   1HE2  GLN  11          1HE2      GLN  11   2.325   1.939  15.210
   97   2HE2  GLN  11          2HE2      GLN  11   0.709   2.047  15.716
   98    H    TYR  12           H        TYR  12   0.962   3.163   9.376
   99    HA   TYR  12           HA       TYR  12  -1.863   2.794  10.322
  100   1HB   TYR  12          2HB       TYR  12  -0.491   4.728   8.555
  101   2HB   TYR  12          1HB       TYR  12  -2.028   4.124   7.935
  102    HD1  TYR  12           HD1      TYR  12  -0.575   6.615   9.918
  103    HD2  TYR  12           HD2      TYR  12  -3.934   3.938   9.838
  104    HE1  TYR  12           HE1      TYR  12  -1.794   8.098  11.489
  105    HE2  TYR  12           HE2      TYR  12  -5.153   5.422  11.408
  106    HH   TYR  12           HH       TYR  12  -3.592   8.053  13.035
  107    H    LYS  13           H        LYS  13   0.634   1.421   8.519
  108    HA   LYS  13           HA       LYS  13  -1.101   0.193   6.459
  109   1HB   LYS  13          2HB       LYS  13   1.662   0.828   6.853
  110   2HB   LYS  13          1HB       LYS  13   1.535  -0.911   6.585
  111   1HG   LYS  13          2HG       LYS  13   0.636  -0.658   4.458
  112   2HG   LYS  13          1HG       LYS  13  -0.024   0.939   4.815
  113   1HD   LYS  13          2HD       LYS  13   1.893   1.165   3.313
  114   2HD   LYS  13          1HD       LYS  13   2.294   1.846   4.890
  115   1HE   LYS  13          2HE       LYS  13   3.034  -0.810   5.179
  116   2HE   LYS  13          1HE       LYS  13   3.497  -0.444   3.505
  117   1HZ   LYS  13          1HZ       LYS  13   4.166   1.173   5.908
  118   2HZ   LYS  13          2HZ       LYS  13   4.526   1.616   4.309
  119   3HZ   LYS  13          3HZ       LYS  13   5.252   0.243   4.996
  120    H    HIS  14           H        HIS  14  -2.065  -0.604   8.918
  121    HA   HIS  14           HA       HIS  14  -0.778  -3.132   9.727
  122   1HB   HIS  14          2HB       HIS  14  -3.099  -1.422  10.581
  123   2HB   HIS  14          1HB       HIS  14  -2.997  -3.084  11.163
  124    HD1  HIS  14           HD1      HIS  14  -0.462  -0.242  10.776
  125    HD2  HIS  14           HD2      HIS  14  -1.649  -3.110  13.560
  126    HE1  HIS  14           HE1      HIS  14   1.028   0.066  12.801
  127    H    TYR  15           H        TYR  15  -3.184  -2.067   7.506
  128    HA   TYR  15           HA       TYR  15  -4.511  -4.711   7.362
  129   1HB   TYR  15          2HB       TYR  15  -5.823  -3.481   5.572
  130   2HB   TYR  15          1HB       TYR  15  -5.890  -2.730   7.165
  131    HD1  TYR  15           HD1      TYR  15  -5.508  -0.443   7.301
  132    HD2  TYR  15           HD2      TYR  15  -3.737  -2.673   4.083
  133    HE1  TYR  15           HE1      TYR  15  -4.589   1.655   6.353
  134    HE2  TYR  15           HE2      TYR  15  -2.818  -0.574   3.136
  135    HH   TYR  15           HH       TYR  15  -3.872   2.379   3.851
  136    H    CYS  16           H        CYS  16  -1.632  -3.473   6.307
  137    HA   CYS  16           HA       CYS  16  -1.411  -5.483   4.163
  138   1HB   CYS  16          2HB       CYS  16  -1.762  -2.557   3.737
  139   2HB   CYS  16          1HB       CYS  16  -0.544  -3.352   2.740
  140    H    ILE  17           H        ILE  17   0.401  -6.361   5.240
  141    HA   ILE  17           HA       ILE  17   2.523  -4.725   6.358
  142    HB   ILE  17           HB       ILE  17   2.322  -7.650   5.575
  143   1HG1  ILE  17          2HG1      ILE  17   0.692  -6.892   7.280
  144   2HG1  ILE  17          1HG1      ILE  17   1.895  -7.975   7.982
  145   1HG2  ILE  17          1HG2      ILE  17   4.402  -6.095   7.119
  146   2HG2  ILE  17          2HG2      ILE  17   4.647  -7.175   5.746
  147   3HG2  ILE  17          3HG2      ILE  17   4.198  -7.835   7.319
  148   1HD1  ILE  17          1HD1      ILE  17   1.882  -6.238   9.539
  149   2HD1  ILE  17          2HD1      ILE  17   1.605  -5.004   8.308
  150   3HD1  ILE  17          3HD1      ILE  17   3.198  -5.741   8.474
  151    H    LYS  18           H        LYS  18   2.839  -7.140   3.730
  152    HA   LYS  18           HA       LYS  18   5.038  -5.546   2.556
  153   1HB   LYS  18          2HB       LYS  18   5.363  -7.565   1.218
  154   2HB   LYS  18          1HB       LYS  18   5.111  -8.026   2.901
  155   1HG   LYS  18          2HG       LYS  18   2.649  -8.312   2.333
  156   2HG   LYS  18          1HG       LYS  18   3.101  -8.131   0.640
  157   1HD   LYS  18          2HD       LYS  18   2.942 -10.525   1.520
  158   2HD   LYS  18          1HD       LYS  18   4.436 -10.103   0.683
  159   1HE   LYS  18          2HE       LYS  18   4.356  -9.657   3.641
  160   2HE   LYS  18          1HE       LYS  18   4.490 -11.330   3.062
  161   1HZ   LYS  18          1HZ       LYS  18   6.511 -10.961   2.189
  162   2HZ   LYS  18          2HZ       LYS  18   6.567  -9.631   3.244
  163   3HZ   LYS  18          3HZ       LYS  18   6.109  -9.412   1.623
  164    H    GLY  19           H        GLY  19   2.665  -4.127   2.323
  165   1HA   GLY  19          2HA       GLY  19   2.225  -4.233  -0.615
  166   2HA   GLY  19          1HA       GLY  19   0.813  -4.245   0.443
  167    H    ARG  20           H        ARG  20   2.206  -2.194  -1.499
  168    HA   ARG  20           HA       ARG  20   2.536   0.105   0.342
  169   1HB   ARG  20          2HB       ARG  20   4.118  -0.267  -1.498
  170   2HB   ARG  20          1HB       ARG  20   2.792  -0.261  -2.662
  171   1HG   ARG  20          2HG       ARG  20   2.514   2.103  -1.146
  172   2HG   ARG  20          1HG       ARG  20   4.226   1.979  -1.552
  173   1HD   ARG  20          2HD       ARG  20   2.164   1.464  -3.687
  174   2HD   ARG  20          1HD       ARG  20   2.611   3.131  -3.273
  175    HE   ARG  20           HE       ARG  20   4.923   1.382  -3.614
  176   1HH1  ARG  20          1HH2      ARG  20   2.443   2.632  -5.570
  177   2HH1  ARG  20          2HH2      ARG  20   3.507   3.334  -6.742
  178   1HH2  ARG  20          1HH1      ARG  20   6.386   2.625  -4.944
  179   2HH2  ARG  20          2HH1      ARG  20   5.740   3.329  -6.389
  180    H    CYS  21           H        CYS  21   0.835   1.465   0.748
  181    HA   CYS  21           HA       CYS  21  -1.440   1.496  -1.210
  182   1HB   CYS  21          2HB       CYS  21  -2.834   1.813   0.918
  183   2HB   CYS  21          1HB       CYS  21  -2.111   0.219   0.702
  184    H    ARG  22           H        ARG  22  -2.380   3.531  -1.572
  185    HA   ARG  22           HA       ARG  22  -0.935   5.864  -0.362
  186   1HB   ARG  22          2HB       ARG  22  -2.466   5.627  -2.975
  187   2HB   ARG  22          1HB       ARG  22  -1.461   6.986  -2.469
  188   1HG   ARG  22          2HG       ARG  22   0.452   5.261  -2.282
  189   2HG   ARG  22          1HG       ARG  22  -0.591   4.197  -3.224
  190   1HD   ARG  22          2HD       ARG  22   0.022   5.262  -5.124
  191   2HD   ARG  22          1HD       ARG  22  -0.551   6.804  -4.458
  192    HE   ARG  22           HE       ARG  22   1.703   6.869  -3.229
  193   1HH1  ARG  22          1HH1      ARG  22   1.587   7.126  -6.388
  194   2HH1  ARG  22          2HH1      ARG  22   3.062   6.308  -6.780
  195   1HH2  ARG  22          1HH2      ARG  22   3.451   4.938  -3.619
  196   2HH2  ARG  22          2HH2      ARG  22   4.117   5.068  -5.212
  197    H    PHE  23           H        PHE  23  -2.314   7.776   0.079
  198    HA   PHE  23           HA       PHE  23  -5.232   7.160   0.336
  199   1HB   PHE  23          2HB       PHE  23  -3.659   6.791   2.413
  200   2HB   PHE  23          1HB       PHE  23  -3.696   8.551   2.517
  201    HD1  PHE  23           HD1      PHE  23  -6.286   9.439   1.927
  202    HD2  PHE  23           HD2      PHE  23  -5.165   5.772   3.863
  203    HE1  PHE  23           HE1      PHE  23  -8.512   9.332   3.013
  204    HE2  PHE  23           HE2      PHE  23  -7.392   5.665   4.949
  205    HZ   PHE  23           HZ       PHE  23  -9.064   7.445   4.524
  206    H    VAL  24           H        VAL  24  -6.087   8.734  -1.008
  207    HA   VAL  24           HA       VAL  24  -4.834  11.370  -1.288
  208    HB   VAL  24           HB       VAL  24  -7.559  10.434  -2.212
  209   1HG1  VAL  24          1HG1      VAL  24  -5.991  12.007  -4.063
  210   2HG1  VAL  24          2HG1      VAL  24  -6.112  12.836  -2.512
  211   3HG1  VAL  24          3HG1      VAL  24  -7.575  12.361  -3.374
  212   1HG2  VAL  24          1HG2      VAL  24  -5.013   9.279  -2.801
  213   2HG2  VAL  24          2HG2      VAL  24  -5.552  10.150  -4.237
  214   3HG2  VAL  24          3HG2      VAL  24  -6.570   8.895  -3.532
  215    H    VAL  25           H        VAL  25  -5.120  12.893   0.286
  216    HA   VAL  25           HA       VAL  25  -7.334  12.774   2.193
  217    HB   VAL  25           HB       VAL  25  -5.349  15.009   1.702
  218   1HG1  VAL  25          1HG1      VAL  25  -5.563  14.879   4.339
  219   2HG1  VAL  25          2HG1      VAL  25  -7.094  14.089   3.959
  220   3HG1  VAL  25          3HG1      VAL  25  -6.781  15.727   3.386
  221   1HG2  VAL  25          1HG2      VAL  25  -4.380  13.308   3.727
  222   2HG2  VAL  25          2HG2      VAL  25  -3.693  13.533   2.118
  223   3HG2  VAL  25          3HG2      VAL  25  -4.854  12.238   2.408
  224    H    ALA  26           H        ALA  26  -6.262  15.437   0.030
  225    HA   ALA  26           HA       ALA  26  -8.492  17.074   0.094
  226   1HB   ALA  26          1HB       ALA  26  -6.563  17.664  -1.196
  227   2HB   ALA  26          2HB       ALA  26  -7.871  17.500  -2.368
  228   3HB   ALA  26          3HB       ALA  26  -6.689  16.205  -2.179
  229    H    GLU  27           H        GLU  27  -8.077  14.133  -1.864
  230    HA   GLU  27           HA       GLU  27 -11.024  14.158  -2.428
  231   1HB   GLU  27          2HB       GLU  27  -8.614  13.767  -4.030
  232   2HB   GLU  27          1HB       GLU  27  -9.717  12.399  -4.185
  233   1HG   GLU  27          2HG       GLU  27 -10.249  14.104  -5.869
  234   2HG   GLU  27          1HG       GLU  27 -11.567  13.971  -4.703
  235    H    GLN  28           H        GLN  28 -11.476  13.017  -0.433
  236    HA   GLN  28           HA       GLN  28 -10.358  10.903   0.837
  237   1HB   GLN  28          2HB       GLN  28 -13.084  11.784   0.203
  238   2HB   GLN  28          1HB       GLN  28 -12.990  10.072   0.616
  239   1HG   GLN  28          2HG       GLN  28 -12.521  10.508   2.789
  240   2HG   GLN  28          1HG       GLN  28 -11.365  11.775   2.371
  241   1HE2  GLN  28          1HE2      GLN  28 -12.355  13.130   4.106
  242   2HE2  GLN  28          2HE2      GLN  28 -13.829  13.920   3.821
  243    H    THR  29           H        THR  29  -9.049   9.588  -0.566
  244    HA   THR  29           HA       THR  29 -10.597   7.455  -1.955
  245    HB   THR  29           HB       THR  29  -8.381   9.116  -3.197
  246    HG1  THR  29           1HG      THR  29 -11.078   8.854  -3.994
  247   1HG2  THR  29          1HG2      THR  29  -9.956   6.739  -4.205
  248   2HG2  THR  29          2HG2      THR  29  -8.208   6.853  -3.993
  249   3HG2  THR  29          3HG2      THR  29  -9.007   7.791  -5.255
  250    HA   PRO  30           HA       PRO  30  -6.989   5.870   0.415
  251   1HB   PRO  30          2HB       PRO  30  -8.372   3.957   1.789
  252   2HB   PRO  30          1HB       PRO  30  -8.241   5.636   2.346
  253   1HG   PRO  30          2HG       PRO  30 -10.510   4.245   1.053
  254   2HG   PRO  30          1HG       PRO  30 -10.513   5.555   2.242
  255   1HD   PRO  30          2HD       PRO  30 -10.957   5.844  -0.490
  256   2HD   PRO  30          1HD       PRO  30 -10.530   7.150   0.635
  257    H    SER  31           H        SER  31  -5.921   4.729  -1.212
  258    HA   SER  31           HA       SER  31  -7.245   2.252  -2.266
  259   1HB   SER  31          2HB       SER  31  -6.259   4.468  -3.576
  260   2HB   SER  31          1HB       SER  31  -4.897   3.355  -3.665
  261    HG   SER  31           HG       SER  31  -6.023   2.586  -5.282
  262    H    CYS  32           H        CYS  32  -6.178   0.310  -1.921
  263    HA   CYS  32           HA       CYS  32  -3.448   0.455  -0.680
  264   1HB   CYS  32          2HB       CYS  32  -4.142  -1.445   0.669
  265   2HB   CYS  32          1HB       CYS  32  -5.392  -0.206   0.787
  266    H    VAL  33           H        VAL  33  -1.878  -0.629  -1.803
  267    HA   VAL  33           HA       VAL  33  -2.740  -2.714  -3.783
  268    HB   VAL  33           HB       VAL  33  -0.751  -0.442  -3.950
  269   1HG1  VAL  33          1HG1      VAL  33  -0.211  -1.479  -6.235
  270   2HG1  VAL  33          2HG1      VAL  33  -0.941  -2.959  -5.614
  271   3HG1  VAL  33          3HG1      VAL  33   0.485  -2.281  -4.827
  272   1HG2  VAL  33          1HG2      VAL  33  -2.057   0.243  -5.825
  273   2HG2  VAL  33          2HG2      VAL  33  -3.229  -0.218  -4.590
  274   3HG2  VAL  33          3HG2      VAL  33  -2.871  -1.318  -5.922
  275    H    CYS  34           H        CYS  34  -1.957  -4.656  -3.075
  276    HA   CYS  34           HA       CYS  34   0.406  -4.772  -1.302
  277   1HB   CYS  34          2HB       CYS  34  -1.291  -7.017  -2.428
  278   2HB   CYS  34          1HB       CYS  34  -0.330  -7.033  -0.948
  279    H    ASP  35           H        ASP  35   2.329  -5.938  -1.862
  280    HA   ASP  35           HA       ASP  35   3.451  -5.649  -4.386
  281   1HB   ASP  35          2HB       ASP  35   3.798  -7.562  -2.102
  282   2HB   ASP  35          1HB       ASP  35   4.716  -7.848  -3.581
  283    H    GLU  36           H        GLU  36   2.904  -6.490  -6.360
  284    HA   GLU  36           HA       GLU  36   0.810  -8.285  -6.885
  285   1HB   GLU  36          2HB       GLU  36   1.748  -8.350  -9.101
  286   2HB   GLU  36          1HB       GLU  36   2.136  -6.760  -8.441
  287   1HG   GLU  36          2HG       GLU  36   4.364  -7.674  -7.721
  288   2HG   GLU  36          1HG       GLU  36   3.972  -9.167  -8.576
  289    H    GLY  37           H        GLY  37   4.252  -8.992  -6.303
  290   1HA   GLY  37          2HA       GLY  37   3.767 -11.888  -6.642
  291   2HA   GLY  37          1HA       GLY  37   5.330 -11.131  -6.335
  292    H    TYR  38           H        TYR  38   2.352 -10.607  -4.486
  293    HA   TYR  38           HA       TYR  38   3.792 -11.671  -2.087
  294   1HB   TYR  38          2HB       TYR  38   2.851  -9.918  -0.916
  295   2HB   TYR  38          1HB       TYR  38   2.846  -9.194  -2.519
  296    HD1  TYR  38           HD1      TYR  38   0.905  -9.541   0.278
  297    HD2  TYR  38           HD2      TYR  38   0.647 -10.165  -3.963
  298    HE1  TYR  38           HE1      TYR  38  -1.563  -9.335   0.396
  299    HE2  TYR  38           HE2      TYR  38  -1.820  -9.957  -3.844
  300    HH   TYR  38           HH       TYR  38  -3.536  -9.209  -2.505
  301    H    ILE  39           H        ILE  39   2.150 -12.524  -0.372
  302    HA   ILE  39           HA       ILE  39  -0.184 -13.899  -1.616
  303    HB   ILE  39           HB       ILE  39   2.141 -15.204  -0.164
  304   1HG1  ILE  39          2HG1      ILE  39   2.459 -14.639  -2.589
  305   2HG1  ILE  39          1HG1      ILE  39   2.490 -16.374  -2.271
  306   1HG2  ILE  39          1HG2      ILE  39   0.939 -17.270  -0.289
  307   2HG2  ILE  39          2HG2      ILE  39  -0.316 -16.557  -1.303
  308   3HG2  ILE  39          3HG2      ILE  39  -0.185 -16.096   0.395
  309   1HD1  ILE  39          1HD1      ILE  39   0.165 -14.762  -3.361
  310   2HD1  ILE  39          2HD1      ILE  39   0.044 -16.451  -2.865
  311   3HD1  ILE  39          3HD1      ILE  39   1.091 -16.000  -4.211
  312    H    GLY  40           H        GLY  40  -1.867 -14.192  -0.142
  313   1HA   GLY  40          2HA       GLY  40  -2.605 -14.582   2.194
  314   2HA   GLY  40          1HA       GLY  40  -1.293 -13.525   2.715
  315    H    ALA  41           H        ALA  41  -4.279 -13.323   3.097
  316    HA   ALA  41           HA       ALA  41  -5.285 -11.153   1.489
  317   1HB   ALA  41          1HB       ALA  41  -6.129 -12.905   3.549
  318   2HB   ALA  41          2HB       ALA  41  -7.130 -11.779   2.631
  319   3HB   ALA  41          3HB       ALA  41  -6.398 -11.269   4.152
  320    H    ARG  42           H        ARG  42  -3.581 -11.289   4.613
  321    HA   ARG  42           HA       ARG  42  -3.702  -8.347   4.908
  322   1HB   ARG  42          2HB       ARG  42  -2.297 -10.480   6.549
  323   2HB   ARG  42          1HB       ARG  42  -2.680  -8.838   7.066
  324   1HG   ARG  42          2HG       ARG  42  -5.146  -9.669   6.319
  325   2HG   ARG  42          1HG       ARG  42  -4.451 -11.206   6.835
  326   1HD   ARG  42          2HD       ARG  42  -3.772  -9.098   8.719
  327   2HD   ARG  42          1HD       ARG  42  -5.531  -9.239   8.521
  328    HE   ARG  42           HE       ARG  42  -3.726 -11.383   9.481
  329   1HH1  ARG  42          1HH2      ARG  42  -5.837 -12.313   7.458
  330   2HH1  ARG  42          2HH2      ARG  42  -7.112 -12.806   8.523
  331   1HH2  ARG  42          1HH1      ARG  42  -5.796 -11.166  11.282
  332   2HH2  ARG  42          2HH1      ARG  42  -7.089 -12.154  10.688
  333    H    CYS  43           H        CYS  43  -1.882 -10.358   3.051
  334    HA   CYS  43           HA       CYS  43   0.169 -10.015   1.923
  335   1HB   CYS  43          2HB       CYS  43   0.395  -7.437   3.485
  336   2HB   CYS  43          1HB       CYS  43   0.948  -7.775   1.848
  337    H    GLU  44           H        GLU  44   0.269 -11.661   4.118
  338    HA   GLU  44           HA       GLU  44   2.510 -10.730   5.845
  339   1HB   GLU  44          2HB       GLU  44   0.461 -11.694   6.838
  340   2HB   GLU  44          1HB       GLU  44   0.714 -13.177   5.917
  341   1HG   GLU  44          2HG       GLU  44   2.723 -13.687   7.108
  342   2HG   GLU  44          1HG       GLU  44   2.784 -12.078   7.830
  343    H    ARG  45           H        ARG  45   1.728 -13.137   3.371
  344    HA   ARG  45           HA       ARG  45   4.480 -14.282   3.622
  345   1HB   ARG  45          2HB       ARG  45   1.828 -15.191   2.524
  346   2HB   ARG  45          1HB       ARG  45   3.316 -15.987   2.010
  347   1HG   ARG  45          2HG       ARG  45   3.853 -16.640   4.244
  348   2HG   ARG  45          1HG       ARG  45   2.619 -15.580   4.924
  349   1HD   ARG  45          2HD       ARG  45   0.886 -16.970   3.679
  350   2HD   ARG  45          1HD       ARG  45   2.188 -18.126   3.333
  351    HE   ARG  45           HE       ARG  45   2.273 -17.492   6.110
  352   1HH1  ARG  45          1HH1      ARG  45   2.076 -20.233   4.669
  353   2HH1  ARG  45          2HH1      ARG  45   0.634 -20.859   5.397
  354   1HH2  ARG  45          1HH2      ARG  45  -0.364 -17.794   6.677
  355   2HH2  ARG  45          2HH2      ARG  45  -0.747 -19.477   6.535
  356    H    VAL  46           H        VAL  46   5.380 -14.959   1.359
  357    HA   VAL  46           HA       VAL  46   4.662 -13.023  -0.787
  358    HB   VAL  46           HB       VAL  46   6.341 -11.903   0.572
  359   1HG1  VAL  46          1HG1      VAL  46   7.285 -13.779   1.760
  360   2HG1  VAL  46          2HG1      VAL  46   8.594 -13.016   0.857
  361   3HG1  VAL  46          3HG1      VAL  46   7.861 -14.505   0.260
  362   1HG2  VAL  46          1HG2      VAL  46   8.215 -12.796  -1.484
  363   2HG2  VAL  46          2HG2      VAL  46   7.475 -11.211  -1.260
  364   3HG2  VAL  46          3HG2      VAL  46   6.613 -12.470  -2.143
  365    H    ASP  47           H        ASP  47   5.206 -13.804  -2.865
  366    HA   ASP  47           HA       ASP  47   6.138 -16.647  -2.948
  367   1HB   ASP  47          2HB       ASP  47   3.933 -15.300  -4.001
  368   2HB   ASP  47          1HB       ASP  47   5.012 -15.485  -5.383
  369    H    LEU  48           H        LEU  48   8.047 -14.462  -2.699
  370    HA   LEU  48           HA       LEU  48   9.231 -14.287  -5.437
  371   1HB   LEU  48          2HB       LEU  48   8.763 -12.419  -3.485
  372   2HB   LEU  48          1HB       LEU  48  10.444 -12.845  -3.157
  373    HG   LEU  48           HG       LEU  48  10.346 -12.637  -5.932
  374   1HD1  LEU  48          1HD1      LEU  48   8.766 -11.153  -6.541
  375   2HD1  LEU  48          2HD1      LEU  48   9.314 -10.012  -5.313
  376   3HD1  LEU  48          3HD1      LEU  48   8.114 -11.239  -4.904
  377   1HD2  LEU  48          1HD2      LEU  48  11.223 -10.762  -3.728
  378   2HD2  LEU  48          2HD2      LEU  48  11.520 -10.401  -5.429
  379   3HD2  LEU  48          3HD2      LEU  48  12.221 -11.846  -4.699
  380    H    PHE  49           H        PHE  49  11.008 -15.526  -5.896
  381    HA   PHE  49           HA       PHE  49  12.139 -17.300  -3.864
  382   1HB   PHE  49          2HB       PHE  49  12.895 -16.707  -6.745
  383   2HB   PHE  49          1HB       PHE  49  13.455 -18.091  -5.806
  384    HD1  PHE  49           HD1      PHE  49  10.558 -16.539  -7.477
  385    HD2  PHE  49           HD2      PHE  49  11.966 -19.941  -5.264
  386    HE1  PHE  49           HE1      PHE  49   8.510 -17.792  -8.098
  387    HE2  PHE  49           HE2      PHE  49   9.918 -21.193  -5.887
  388    HZ   PHE  49           HZ       PHE  49   8.189 -20.118  -7.302
  389    H    TYR  50           H        TYR  50  13.329 -14.529  -5.789
  390    HA   TYR  50           HA       TYR  50  15.912 -14.520  -4.380
  391   1HB   TYR  50          2HB       TYR  50  14.546 -12.883  -6.518
  392   2HB   TYR  50          1HB       TYR  50  16.089 -12.374  -5.833
  393    HD1  TYR  50           HD1      TYR  50  14.404 -14.734  -8.037
  394    HD2  TYR  50           HD2      TYR  50  18.091 -13.865  -6.012
  395    HE1  TYR  50           HE1      TYR  50  15.592 -16.333  -9.514
  396    HE2  TYR  50           HE2      TYR  50  19.279 -15.464  -7.489
  397    HH   TYR  50           HH       TYR  50  18.207 -17.739  -8.972
  Start of MODEL   38
    1   1H    ARG   1          H1        ARG   1  -5.483  16.966 -14.344
    2   2H    ARG   1          H2        ARG   1  -4.620  15.529 -14.615
    3   3H    ARG   1          H3        ARG   1  -5.489  16.254 -15.882
    4    HA   ARG   1           HA       ARG   1  -3.341  16.923 -16.372
    5   1HB   ARG   1          2HB       ARG   1  -5.221  18.730 -15.137
    6   2HB   ARG   1          1HB       ARG   1  -3.579  19.291 -14.827
    7   1HG   ARG   1          2HG       ARG   1  -4.026  18.350 -17.582
    8   2HG   ARG   1          1HG       ARG   1  -4.972  19.772 -17.143
    9   1HD   ARG   1          2HD       ARG   1  -2.785  20.463 -18.056
   10   2HD   ARG   1          1HD       ARG   1  -2.865  20.867 -16.329
   11    HE   ARG   1           HE       ARG   1  -1.837  18.184 -16.790
   12   1HH1  ARG   1          1HH1      ARG   1  -1.180  20.863 -15.071
   13   2HH1  ARG   1          2HH1      ARG   1   0.521  20.929 -15.391
   14   1HH2  ARG   1          1HH2      ARG   1   0.408  18.549 -17.911
   15   2HH2  ARG   1          2HH2      ARG   1   1.420  19.618 -16.999
   16    H    LYS   2           H        LYS   2  -3.947  16.537 -12.960
   17    HA   LYS   2           HA       LYS   2  -1.045  16.201 -12.479
   18   1HB   LYS   2          2HB       LYS   2  -1.101  17.876 -10.647
   19   2HB   LYS   2          1HB       LYS   2  -1.495  18.614 -12.200
   20   1HG   LYS   2          2HG       LYS   2  -3.960  17.744 -11.261
   21   2HG   LYS   2          1HG       LYS   2  -3.153  18.332  -9.807
   22   1HD   LYS   2          2HD       LYS   2  -2.594  20.189 -11.889
   23   2HD   LYS   2          1HD       LYS   2  -4.327  19.862 -11.931
   24   1HE   LYS   2          2HE       LYS   2  -4.053  21.662 -10.365
   25   2HE   LYS   2          1HE       LYS   2  -4.274  20.209  -9.368
   26   1HZ   LYS   2          1HZ       LYS   2  -2.104  20.156  -8.784
   27   2HZ   LYS   2          2HZ       LYS   2  -2.191  21.825  -9.088
   28   3HZ   LYS   2          3HZ       LYS   2  -1.563  20.774 -10.267
   29    H    GLY   3           H        GLY   3  -1.309  16.282  -9.615
   30   1HA   GLY   3          2HA       GLY   3  -3.314  15.060  -8.272
   31   2HA   GLY   3          1HA       GLY   3  -2.681  13.706  -9.210
   32    H    HIS   4           H        HIS   4  -0.943  12.625  -8.385
   33    HA   HIS   4           HA       HIS   4   0.915  12.148  -6.998
   34   1HB   HIS   4          2HB       HIS   4   0.986  14.913  -7.690
   35   2HB   HIS   4          1HB       HIS   4   1.429  14.787  -5.988
   36    HD1  HIS   4           HD1      HIS   4   3.280  12.742  -5.534
   37    HD2  HIS   4           HD2      HIS   4   3.119  14.393  -9.359
   38    HE1  HIS   4           HE1      HIS   4   5.463  12.139  -6.667
   39    H    PHE   5           H        PHE   5  -0.206  11.033  -5.345
   40    HA   PHE   5           HA       PHE   5  -1.468  12.628  -3.172
   41   1HB   PHE   5          2HB       PHE   5  -1.342   9.629  -3.613
   42   2HB   PHE   5          1HB       PHE   5  -2.469  10.502  -2.576
   43    HD1  PHE   5           HD1      PHE   5  -4.116  12.120  -3.634
   44    HD2  PHE   5           HD2      PHE   5  -1.777   9.346  -5.932
   45    HE1  PHE   5           HE1      PHE   5  -5.668  12.398  -5.549
   46    HE2  PHE   5           HE2      PHE   5  -3.327   9.624  -7.847
   47    HZ   PHE   5           HZ       PHE   5  -5.273  11.150  -7.655
   48    H    SER   6           H        SER   6  -0.978  10.337  -1.300
   49    HA   SER   6           HA       SER   6   1.957  10.649  -0.805
   50   1HB   SER   6          2HB       SER   6  -0.391  11.253   0.999
   51   2HB   SER   6          1HB       SER   6   1.219  10.958   1.648
   52    HG   SER   6           HG       SER   6   1.686  12.922   1.105
   53    H    ARG   7           H        ARG   7   2.894   8.840   0.245
   54    HA   ARG   7           HA       ARG   7   1.349   6.343   0.104
   55   1HB   ARG   7          2HB       ARG   7   4.133   7.266   0.253
   56   2HB   ARG   7          1HB       ARG   7   3.838   5.817   1.217
   57   1HG   ARG   7          2HG       ARG   7   4.318   4.894  -0.873
   58   2HG   ARG   7          1HG       ARG   7   2.557   4.995  -0.928
   59   1HD   ARG   7          2HD       ARG   7   2.867   7.307  -2.007
   60   2HD   ARG   7          1HD       ARG   7   4.566   6.846  -2.233
   61    HE   ARG   7           HE       ARG   7   2.285   5.690  -3.651
   62   1HH1  ARG   7          1HH2      ARG   7   3.676   3.368  -2.367
   63   2HH1  ARG   7          2HH2      ARG   7   4.867   2.956  -3.555
   64   1HH2  ARG   7          1HH1      ARG   7   4.609   5.973  -5.245
   65   2HH2  ARG   7          2HH1      ARG   7   5.396   4.431  -5.184
   66    H    CYS   8           H        CYS   8   0.933   4.978   1.928
   67    HA   CYS   8           HA       CYS   8   0.491   6.415   4.452
   68   1HB   CYS   8          2HB       CYS   8  -0.743   4.395   3.051
   69   2HB   CYS   8          1HB       CYS   8   0.088   3.496   4.320
   70    HA   PRO   9           HA       PRO   9   4.395   5.058   6.089
   71   1HB   PRO   9          2HB       PRO   9   4.012   5.992   8.633
   72   2HB   PRO   9          1HB       PRO   9   4.432   7.047   7.268
   73   1HG   PRO   9          2HG       PRO   9   1.794   6.580   8.558
   74   2HG   PRO   9          1HG       PRO   9   2.482   8.072   7.896
   75   1HD   PRO   9          2HD       PRO   9   0.616   6.537   6.603
   76   2HD   PRO   9          1HD       PRO   9   1.768   7.611   5.779
   77    H    LYS  10           H        LYS  10   5.063   3.718   8.102
   78    HA   LYS  10           HA       LYS  10   3.548   1.292   8.219
   79   1HB   LYS  10          2HB       LYS  10   5.201   0.719   9.949
   80   2HB   LYS  10          1HB       LYS  10   5.992   1.568   8.621
   81   1HG   LYS  10          2HG       LYS  10   5.313   3.683  10.163
   82   2HG   LYS  10          1HG       LYS  10   5.509   2.456  11.415
   83   1HD   LYS  10          2HD       LYS  10   7.758   1.929  10.569
   84   2HD   LYS  10          1HD       LYS  10   7.566   3.129   9.290
   85   1HE   LYS  10          2HE       LYS  10   6.964   4.629  11.507
   86   2HE   LYS  10          1HE       LYS  10   8.203   3.529  12.146
   87   1HZ   LYS  10          1HZ       LYS  10   8.421   5.097   9.630
   88   2HZ   LYS  10          2HZ       LYS  10   9.599   4.038  10.245
   89   3HZ   LYS  10          3HZ       LYS  10   9.214   5.463  11.083
   90    H    GLN  11           H        GLN  11   3.413   4.244  10.097
   91    HA   GLN  11           HA       GLN  11   2.144   3.274  12.464
   92   1HB   GLN  11          2HB       GLN  11   3.125   5.486  12.271
   93   2HB   GLN  11          1HB       GLN  11   2.017   5.907  10.964
   94   1HG   GLN  11          2HG       GLN  11   0.176   6.066  12.395
   95   2HG   GLN  11          1HG       GLN  11   0.920   5.044  13.626
   96   1HE2  GLN  11          1HE2      GLN  11   2.400   6.041  15.132
   97   2HE2  GLN  11          2HE2      GLN  11   2.615   7.723  15.211
   98    H    TYR  12           H        TYR  12   0.985   3.359   9.254
   99    HA   TYR  12           HA       TYR  12  -1.823   3.006  10.247
  100   1HB   TYR  12          2HB       TYR  12  -0.629   4.797   8.179
  101   2HB   TYR  12          1HB       TYR  12  -2.203   4.090   7.812
  102    HD1  TYR  12           HD1      TYR  12  -0.438   6.616   9.680
  103    HD2  TYR  12           HD2      TYR  12  -4.080   4.344   9.532
  104    HE1  TYR  12           HE1      TYR  12  -1.532   8.272  11.167
  105    HE2  TYR  12           HE2      TYR  12  -5.174   6.000  11.019
  106    HH   TYR  12           HH       TYR  12  -4.240   7.725  12.844
  107    H    LYS  13           H        LYS  13   0.730   1.479   8.845
  108    HA   LYS  13           HA       LYS  13  -0.692   0.111   6.657
  109   1HB   LYS  13          2HB       LYS  13   2.038   0.120   7.906
  110   2HB   LYS  13          1HB       LYS  13   1.585  -1.221   6.853
  111   1HG   LYS  13          2HG       LYS  13   1.001   0.386   5.066
  112   2HG   LYS  13          1HG       LYS  13   1.485   1.719   6.115
  113   1HD   LYS  13          2HD       LYS  13   3.389   1.314   4.763
  114   2HD   LYS  13          1HD       LYS  13   3.759   0.519   6.294
  115   1HE   LYS  13          2HE       LYS  13   3.923  -1.487   5.257
  116   2HE   LYS  13          1HE       LYS  13   2.307  -1.292   4.550
  117   1HZ   LYS  13          1HZ       LYS  13   3.235   0.141   2.858
  118   2HZ   LYS  13          2HZ       LYS  13   4.044  -1.353   2.839
  119   3HZ   LYS  13          3HZ       LYS  13   4.783   0.006   3.539
  120    H    HIS  14           H        HIS  14  -2.041  -0.263   9.143
  121    HA   HIS  14           HA       HIS  14  -1.217  -2.863  10.256
  122   1HB   HIS  14          2HB       HIS  14  -3.676  -1.130  10.670
  123   2HB   HIS  14          1HB       HIS  14  -3.172  -2.464  11.705
  124    HD1  HIS  14           HD1      HIS  14  -3.232   0.913  12.059
  125    HD2  HIS  14           HD2      HIS  14  -0.014  -1.736  12.120
  126    HE1  HIS  14           HE1      HIS  14  -1.365   2.083  13.308
  127    H    TYR  15           H        TYR  15  -3.449  -1.617   7.880
  128    HA   TYR  15           HA       TYR  15  -5.064  -4.057   7.744
  129   1HB   TYR  15          2HB       TYR  15  -5.889  -2.862   5.634
  130   2HB   TYR  15          1HB       TYR  15  -6.094  -1.975   7.143
  131    HD1  TYR  15           HD1      TYR  15  -5.174   0.168   7.396
  132    HD2  TYR  15           HD2      TYR  15  -3.741  -2.395   4.265
  133    HE1  TYR  15           HE1      TYR  15  -3.816   2.035   6.491
  134    HE2  TYR  15           HE2      TYR  15  -2.382  -0.529   3.359
  135    HH   TYR  15           HH       TYR  15  -2.700   2.736   4.580
  136    H    CYS  16           H        CYS  16  -1.932  -3.243   6.759
  137    HA   CYS  16           HA       CYS  16  -1.765  -5.657   5.078
  138   1HB   CYS  16          2HB       CYS  16  -1.841  -2.863   4.033
  139   2HB   CYS  16          1HB       CYS  16  -0.698  -3.973   3.276
  140    H    ILE  17           H        ILE  17   0.314  -6.489   5.171
  141    HA   ILE  17           HA       ILE  17   2.319  -4.956   6.737
  142    HB   ILE  17           HB       ILE  17   1.969  -7.820   5.828
  143   1HG1  ILE  17          2HG1      ILE  17   2.437  -6.995   8.654
  144   2HG1  ILE  17          1HG1      ILE  17   0.889  -6.539   7.942
  145   1HG2  ILE  17          1HG2      ILE  17   4.288  -6.700   7.428
  146   2HG2  ILE  17          2HG2      ILE  17   4.383  -7.113   5.716
  147   3HG2  ILE  17          3HG2      ILE  17   4.066  -8.370   6.911
  148   1HD1  ILE  17          1HD1      ILE  17   1.109  -8.871   9.116
  149   2HD1  ILE  17          2HD1      ILE  17   1.912  -9.348   7.620
  150   3HD1  ILE  17          3HD1      ILE  17   0.249  -8.762   7.581
  151    H    LYS  18           H        LYS  18   2.722  -7.213   3.993
  152    HA   LYS  18           HA       LYS  18   4.910  -5.519   2.945
  153   1HB   LYS  18          2HB       LYS  18   5.318  -7.469   1.524
  154   2HB   LYS  18          1HB       LYS  18   5.054  -8.007   3.182
  155   1HG   LYS  18          2HG       LYS  18   2.544  -8.186   2.426
  156   2HG   LYS  18          1HG       LYS  18   3.234  -8.243   0.804
  157   1HD   LYS  18          2HD       LYS  18   3.770 -10.132   3.106
  158   2HD   LYS  18          1HD       LYS  18   3.053 -10.516   1.540
  159   1HE   LYS  18          2HE       LYS  18   5.132 -11.007   0.787
  160   2HE   LYS  18          1HE       LYS  18   5.556  -9.295   0.988
  161   1HZ   LYS  18          1HZ       LYS  18   5.736  -9.920   3.464
  162   2HZ   LYS  18          2HZ       LYS  18   7.013 -10.346   2.429
  163   3HZ   LYS  18          3HZ       LYS  18   5.876 -11.515   2.906
  164    H    GLY  19           H        GLY  19   2.927  -3.891   2.566
  165   1HA   GLY  19          2HA       GLY  19   2.456  -3.901  -0.318
  166   2HA   GLY  19          1HA       GLY  19   0.985  -4.089   0.637
  167    H    ARG  20           H        ARG  20   2.180  -1.792  -1.049
  168    HA   ARG  20           HA       ARG  20   2.286   0.336   1.042
  169   1HB   ARG  20          2HB       ARG  20   3.516  -0.185  -1.511
  170   2HB   ARG  20          1HB       ARG  20   2.645   1.345  -1.594
  171   1HG   ARG  20          2HG       ARG  20   4.408   2.280  -0.544
  172   2HG   ARG  20          1HG       ARG  20   3.900   1.405   0.901
  173   1HD   ARG  20          2HD       ARG  20   5.272  -0.558   0.132
  174   2HD   ARG  20          1HD       ARG  20   5.882   0.451  -1.194
  175    HE   ARG  20           HE       ARG  20   6.172   1.929   1.214
  176   1HH1  ARG  20          1HH1      ARG  20   6.964  -0.947   1.997
  177   2HH1  ARG  20          2HH1      ARG  20   8.678  -0.879   1.752
  178   1HH2  ARG  20          1HH2      ARG  20   8.563   2.044  -0.108
  179   2HH2  ARG  20          2HH2      ARG  20   9.583   0.814   0.561
  180    H    CYS  21           H        CYS  21   0.446   1.509   1.419
  181    HA   CYS  21           HA       CYS  21  -1.727   1.419  -0.642
  182   1HB   CYS  21          2HB       CYS  21  -2.388   0.407   1.414
  183   2HB   CYS  21          1HB       CYS  21  -1.645   1.689   2.367
  184    H    ARG  22           H        ARG  22  -2.246   3.332  -1.625
  185    HA   ARG  22           HA       ARG  22  -0.949   5.832  -0.710
  186   1HB   ARG  22          2HB       ARG  22  -1.120   4.879  -3.115
  187   2HB   ARG  22          1HB       ARG  22  -2.795   5.432  -3.069
  188   1HG   ARG  22          2HG       ARG  22  -2.197   7.604  -3.293
  189   2HG   ARG  22          1HG       ARG  22  -0.893   7.450  -2.116
  190   1HD   ARG  22          2HD       ARG  22   0.172   7.932  -4.220
  191   2HD   ARG  22          1HD       ARG  22   0.402   6.191  -3.958
  192    HE   ARG  22           HE       ARG  22  -1.934   7.182  -5.539
  193   1HH1  ARG  22          1HH1      ARG  22   1.206   5.886  -5.656
  194   2HH1  ARG  22          2HH1      ARG  22   0.841   4.703  -6.866
  195   1HH2  ARG  22          1HH2      ARG  22  -2.560   5.379  -6.881
  196   2HH2  ARG  22          2HH2      ARG  22  -1.290   4.416  -7.561
  197    H    PHE  23           H        PHE  23  -2.062   7.353   0.465
  198    HA   PHE  23           HA       PHE  23  -5.014   6.986   0.787
  199   1HB   PHE  23          2HB       PHE  23  -3.170   7.014   2.671
  200   2HB   PHE  23          1HB       PHE  23  -3.267   8.764   2.469
  201    HD1  PHE  23           HD1      PHE  23  -5.917   9.519   2.107
  202    HD2  PHE  23           HD2      PHE  23  -4.468   6.203   4.419
  203    HE1  PHE  23           HE1      PHE  23  -7.989   9.563   3.467
  204    HE2  PHE  23           HE2      PHE  23  -6.541   6.247   5.781
  205    HZ   PHE  23           HZ       PHE  23  -8.302   7.928   5.305
  206    H    VAL  24           H        VAL  24  -6.100   8.296  -0.654
  207    HA   VAL  24           HA       VAL  24  -4.970  10.826  -1.606
  208    HB   VAL  24           HB       VAL  24  -7.732   9.602  -1.905
  209   1HG1  VAL  24          1HG1      VAL  24  -8.039  11.694  -2.799
  210   2HG1  VAL  24          2HG1      VAL  24  -7.266  10.947  -4.198
  211   3HG1  VAL  24          3HG1      VAL  24  -6.316  11.936  -3.090
  212   1HG2  VAL  24          1HG2      VAL  24  -6.325   9.184  -4.255
  213   2HG2  VAL  24          2HG2      VAL  24  -6.611   7.967  -3.010
  214   3HG2  VAL  24          3HG2      VAL  24  -5.108   8.889  -3.014
  215    H    VAL  25           H        VAL  25  -5.028  12.595  -0.280
  216    HA   VAL  25           HA       VAL  25  -6.906  12.850   1.936
  217    HB   VAL  25           HB       VAL  25  -4.995  14.833   0.659
  218   1HG1  VAL  25          1HG1      VAL  25  -6.481  15.988   2.145
  219   2HG1  VAL  25          2HG1      VAL  25  -4.986  15.733   3.045
  220   3HG1  VAL  25          3HG1      VAL  25  -6.384  14.701   3.346
  221   1HG2  VAL  25          1HG2      VAL  25  -3.754  12.863   1.270
  222   2HG2  VAL  25          2HG2      VAL  25  -4.615  12.726   2.804
  223   3HG2  VAL  25          3HG2      VAL  25  -3.482  14.052   2.544
  224    H    ALA  26           H        ALA  26  -6.298  15.068  -0.826
  225    HA   ALA  26           HA       ALA  26  -8.519  16.700  -0.695
  226   1HB   ALA  26          1HB       ALA  26  -7.117  17.189  -2.466
  227   2HB   ALA  26          2HB       ALA  26  -8.365  16.321  -3.360
  228   3HB   ALA  26          3HB       ALA  26  -6.884  15.491  -2.881
  229    H    GLU  27           H        GLU  27  -8.414  13.498  -2.269
  230    HA   GLU  27           HA       GLU  27 -11.410  13.425  -2.172
  231   1HB   GLU  27          2HB       GLU  27  -9.973  13.312  -4.366
  232   2HB   GLU  27          1HB       GLU  27  -9.638  11.658  -3.854
  233   1HG   GLU  27          2HG       GLU  27 -11.557  11.226  -5.029
  234   2HG   GLU  27          1HG       GLU  27 -12.314  11.690  -3.505
  235    H    GLN  28           H        GLN  28 -11.372  12.637   0.045
  236    HA   GLN  28           HA       GLN  28  -9.975  10.738   1.367
  237   1HB   GLN  28          2HB       GLN  28 -12.127  10.079   2.410
  238   2HB   GLN  28          1HB       GLN  28 -12.043  11.821   2.153
  239   1HG   GLN  28          2HG       GLN  28 -13.100  10.608  -0.218
  240   2HG   GLN  28          1HG       GLN  28 -14.005  10.004   1.171
  241   1HE2  GLN  28          1HE2      GLN  28 -13.848  12.580  -1.007
  242   2HE2  GLN  28          2HE2      GLN  28 -14.710  13.731  -0.104
  243    H    THR  29           H        THR  29  -8.952   9.212  -0.064
  244    HA   THR  29           HA       THR  29 -10.683   6.882  -0.723
  245    HB   THR  29           HB       THR  29  -9.079   8.563  -2.658
  246    HG1  THR  29           1HG      THR  29 -11.610   7.457  -3.093
  247   1HG2  THR  29          1HG2      THR  29  -8.393   6.613  -3.587
  248   2HG2  THR  29          2HG2      THR  29 -10.061   6.472  -4.144
  249   3HG2  THR  29          3HG2      THR  29  -9.554   5.661  -2.662
  250    HA   PRO  30           HA       PRO  30  -6.598   5.643   0.932
  251   1HB   PRO  30          2HB       PRO  30  -7.577   3.695   2.581
  252   2HB   PRO  30          1HB       PRO  30  -7.487   5.403   3.054
  253   1HG   PRO  30          2HG       PRO  30  -9.824   3.805   2.179
  254   2HG   PRO  30          1HG       PRO  30  -9.733   5.128   3.348
  255   1HD   PRO  30          2HD       PRO  30 -10.664   5.364   0.755
  256   2HD   PRO  30          1HD       PRO  30 -10.082   6.710   1.758
  257    H    SER  31           H        SER  31  -6.094   4.718  -1.171
  258    HA   SER  31           HA       SER  31  -7.280   2.081  -1.847
  259   1HB   SER  31          2HB       SER  31  -6.631   2.632  -3.984
  260   2HB   SER  31          1HB       SER  31  -6.581   4.258  -3.309
  261    HG   SER  31           HG       SER  31  -4.584   2.785  -4.291
  262    H    CYS  32           H        CYS  32  -6.244   0.220  -1.217
  263    HA   CYS  32           HA       CYS  32  -3.436   0.420  -0.237
  264   1HB   CYS  32          2HB       CYS  32  -4.956  -0.554   1.322
  265   2HB   CYS  32          1HB       CYS  32  -5.716  -1.544   0.076
  266    H    VAL  33           H        VAL  33  -1.789  -0.424  -1.443
  267    HA   VAL  33           HA       VAL  33  -2.488  -2.269  -3.706
  268    HB   VAL  33           HB       VAL  33  -0.314  -0.175  -3.384
  269   1HG1  VAL  33          1HG1      VAL  33   0.130  -0.747  -5.821
  270   2HG1  VAL  33          2HG1      VAL  33  -0.869  -2.181  -5.584
  271   3HG1  VAL  33          3HG1      VAL  33   0.621  -1.982  -4.662
  272   1HG2  VAL  33          1HG2      VAL  33  -2.035   0.052  -5.702
  273   2HG2  VAL  33          2HG2      VAL  33  -1.749   1.226  -4.417
  274   3HG2  VAL  33          3HG2      VAL  33  -3.001  -0.001  -4.228
  275    H    CYS  34           H        CYS  34  -1.929  -4.304  -2.989
  276    HA   CYS  34           HA       CYS  34   0.240  -4.745  -1.078
  277   1HB   CYS  34          2HB       CYS  34  -1.240  -6.776  -2.767
  278   2HB   CYS  34          1HB       CYS  34  -0.529  -7.007  -1.170
  279    H    ASP  35           H        ASP  35   2.186  -5.958  -1.539
  280    HA   ASP  35           HA       ASP  35   3.672  -5.258  -3.804
  281   1HB   ASP  35          2HB       ASP  35   3.722  -7.344  -1.696
  282   2HB   ASP  35          1HB       ASP  35   4.702  -7.691  -3.120
  283    H    GLU  36           H        GLU  36   3.221  -5.691  -5.927
  284    HA   GLU  36           HA       GLU  36   1.320  -7.338  -7.049
  285   1HB   GLU  36          2HB       GLU  36   3.698  -5.958  -7.836
  286   2HB   GLU  36          1HB       GLU  36   3.696  -7.528  -8.638
  287   1HG   GLU  36          2HG       GLU  36   1.150  -6.916  -9.085
  288   2HG   GLU  36          1HG       GLU  36   1.749  -5.269  -8.890
  289    H    GLY  37           H        GLY  37   4.672  -8.340  -6.268
  290   1HA   GLY  37          2HA       GLY  37   3.984 -11.145  -6.889
  291   2HA   GLY  37          1HA       GLY  37   5.587 -10.544  -6.467
  292    H    TYR  38           H        TYR  38   2.431 -10.324  -4.783
  293    HA   TYR  38           HA       TYR  38   3.770 -11.598  -2.419
  294   1HB   TYR  38          2HB       TYR  38   2.927  -9.916  -1.085
  295   2HB   TYR  38          1HB       TYR  38   3.025  -9.022  -2.597
  296    HD1  TYR  38           HD1      TYR  38   0.980  -9.529   0.101
  297    HD2  TYR  38           HD2      TYR  38   0.809  -9.653  -4.189
  298    HE1  TYR  38           HE1      TYR  38  -1.468  -9.148   0.187
  299    HE2  TYR  38           HE2      TYR  38  -1.638  -9.271  -4.104
  300    HH   TYR  38           HH       TYR  38  -3.495  -9.609  -2.489
  301    H    ILE  39           H        ILE  39   2.004 -12.503  -0.856
  302    HA   ILE  39           HA       ILE  39  -0.367 -13.559  -2.325
  303    HB   ILE  39           HB       ILE  39   1.581 -15.284  -0.769
  304   1HG1  ILE  39          2HG1      ILE  39   1.373 -14.771  -3.752
  305   2HG1  ILE  39          1HG1      ILE  39   2.751 -14.403  -2.714
  306   1HG2  ILE  39          1HG2      ILE  39  -0.960 -15.856  -1.290
  307   2HG2  ILE  39          2HG2      ILE  39   0.292 -17.090  -1.448
  308   3HG2  ILE  39          3HG2      ILE  39  -0.309 -16.254  -2.880
  309   1HD1  ILE  39          1HD1      ILE  39   3.535 -16.444  -3.299
  310   2HD1  ILE  39          2HD1      ILE  39   1.970 -16.949  -3.939
  311   3HD1  ILE  39          3HD1      ILE  39   2.304 -17.089  -2.212
  312    H    GLY  40           H        GLY  40  -2.129 -13.948  -0.942
  313   1HA   GLY  40          2HA       GLY  40  -2.881 -14.542   1.382
  314   2HA   GLY  40          1HA       GLY  40  -1.652 -13.418   1.965
  315    H    ALA  41           H        ALA  41  -4.202 -12.976   2.822
  316    HA   ALA  41           HA       ALA  41  -5.538 -11.040   1.038
  317   1HB   ALA  41          1HB       ALA  41  -6.109 -11.901   3.892
  318   2HB   ALA  41          2HB       ALA  41  -6.727 -12.723   2.459
  319   3HB   ALA  41          3HB       ALA  41  -7.225 -11.067   2.810
  320    H    ARG  42           H        ARG  42  -3.943 -11.011   4.245
  321    HA   ARG  42           HA       ARG  42  -4.022  -8.051   4.297
  322   1HB   ARG  42          2HB       ARG  42  -3.081 -10.220   6.195
  323   2HB   ARG  42          1HB       ARG  42  -2.980  -8.498   6.566
  324   1HG   ARG  42          2HG       ARG  42  -5.612  -8.965   5.625
  325   2HG   ARG  42          1HG       ARG  42  -5.256 -10.250   6.779
  326   1HD   ARG  42          2HD       ARG  42  -6.148  -8.405   8.059
  327   2HD   ARG  42          1HD       ARG  42  -4.396  -8.405   8.348
  328    HE   ARG  42           HE       ARG  42  -4.179  -6.526   6.835
  329   1HH1  ARG  42          1HH1      ARG  42  -6.561  -5.695   8.523
  330   2HH1  ARG  42          2HH1      ARG  42  -7.672  -5.162   7.306
  331   1HH2  ARG  42          1HH2      ARG  42  -5.969  -6.693   4.702
  332   2HH2  ARG  42          2HH2      ARG  42  -7.337  -5.727   5.142
  333    H    CYS  43           H        CYS  43  -2.179 -10.053   2.609
  334    HA   CYS  43           HA       CYS  43  -0.034  -9.813   1.643
  335   1HB   CYS  43          2HB       CYS  43   0.220  -7.317   3.332
  336   2HB   CYS  43          1HB       CYS  43   0.920  -7.636   1.747
  337    H    GLU  44           H        GLU  44   0.103 -11.684   3.438
  338    HA   GLU  44           HA       GLU  44   2.253 -10.934   5.393
  339   1HB   GLU  44          2HB       GLU  44   0.148 -13.122   5.417
  340   2HB   GLU  44          1HB       GLU  44   1.370 -12.896   6.668
  341   1HG   GLU  44          2HG       GLU  44   0.443 -10.444   6.755
  342   2HG   GLU  44          1HG       GLU  44  -0.979 -11.150   5.987
  343    H    ARG  45           H        ARG  45   1.491 -12.785   2.600
  344    HA   ARG  45           HA       ARG  45   3.946 -14.468   2.995
  345   1HB   ARG  45          2HB       ARG  45   1.227 -14.911   1.832
  346   2HB   ARG  45          1HB       ARG  45   2.578 -15.784   1.107
  347   1HG   ARG  45          2HG       ARG  45   3.221 -16.501   3.467
  348   2HG   ARG  45          1HG       ARG  45   1.657 -15.869   3.987
  349   1HD   ARG  45          2HD       ARG  45   0.726 -17.363   2.014
  350   2HD   ARG  45          1HD       ARG  45   2.248 -18.245   2.247
  351    HE   ARG  45           HE       ARG  45   0.444 -17.661   4.563
  352   1HH1  ARG  45          1HH1      ARG  45   0.414 -20.153   2.560
  353   2HH1  ARG  45          2HH1      ARG  45   1.095 -21.342   3.620
  354   1HH2  ARG  45          1HH2      ARG  45   2.160 -19.022   5.967
  355   2HH2  ARG  45          2HH2      ARG  45   2.083 -20.700   5.550
  356    H    VAL  46           H        VAL  46   4.824 -15.143   0.698
  357    HA   VAL  46           HA       VAL  46   4.613 -12.884  -1.245
  358    HB   VAL  46           HB       VAL  46   6.491 -12.520   0.364
  359   1HG1  VAL  46          1HG1      VAL  46   8.375 -14.060   0.383
  360   2HG1  VAL  46          2HG1      VAL  46   7.607 -15.067  -0.845
  361   3HG1  VAL  46          3HG1      VAL  46   6.905 -14.956   0.770
  362   1HG2  VAL  46          1HG2      VAL  46   8.204 -12.120  -1.330
  363   2HG2  VAL  46          2HG2      VAL  46   6.623 -11.747  -2.013
  364   3HG2  VAL  46          3HG2      VAL  46   7.427 -13.261  -2.427
  365    H    ASP  47           H        ASP  47   5.503 -13.504  -3.394
  366    HA   ASP  47           HA       ASP  47   5.353 -16.469  -3.832
  367   1HB   ASP  47          2HB       ASP  47   3.718 -14.582  -4.796
  368   2HB   ASP  47          1HB       ASP  47   4.989 -14.455  -6.013
  369    H    LEU  48           H        LEU  48   7.836 -15.492  -3.042
  370    HA   LEU  48           HA       LEU  48   9.385 -15.362  -5.611
  371   1HB   LEU  48          2HB       LEU  48   9.503 -13.958  -2.999
  372   2HB   LEU  48          1HB       LEU  48  11.064 -14.411  -3.689
  373    HG   LEU  48           HG       LEU  48  10.272 -12.136  -4.405
  374   1HD1  LEU  48          1HD1      LEU  48  10.447 -14.194  -6.629
  375   2HD1  LEU  48          2HD1      LEU  48  11.832 -13.504  -5.782
  376   3HD1  LEU  48          3HD1      LEU  48  10.800 -12.472  -6.772
  377   1HD2  LEU  48          1HD2      LEU  48   8.332 -13.400  -6.275
  378   2HD2  LEU  48          2HD2      LEU  48   8.274 -11.820  -5.493
  379   3HD2  LEU  48          3HD2      LEU  48   7.821 -13.267  -4.592
  380    H    PHE  49           H        PHE  49   9.315 -16.678  -2.299
  381    HA   PHE  49           HA       PHE  49  11.625 -18.433  -2.832
  382   1HB   PHE  49          2HB       PHE  49  10.401 -17.226  -0.620
  383   2HB   PHE  49          1HB       PHE  49  10.058 -18.946  -0.427
  384    HD1  PHE  49           HD1      PHE  49  11.658 -20.267   0.631
  385    HD2  PHE  49           HD2      PHE  49  12.902 -16.696  -1.406
  386    HE1  PHE  49           HE1      PHE  49  13.989 -20.648   1.388
  387    HE2  PHE  49           HE2      PHE  49  15.234 -17.077  -0.649
  388    HZ   PHE  49           HZ       PHE  49  15.777 -19.052   0.747
  389    H    TYR  50           H        TYR  50   8.245 -19.003  -1.763
  390    HA   TYR  50           HA       TYR  50   8.397 -21.788  -2.753
  391   1HB   TYR  50          2HB       TYR  50   7.206 -20.508  -0.620
  392   2HB   TYR  50          1HB       TYR  50   5.848 -20.727  -1.724
  393    HD1  TYR  50           HD1      TYR  50   8.731 -22.581  -0.216
  394    HD2  TYR  50           HD2      TYR  50   4.767 -22.805  -1.856
  395    HE1  TYR  50           HE1      TYR  50   8.607 -24.977   0.411
  396    HE2  TYR  50           HE2      TYR  50   4.644 -25.202  -1.230
  397    HH   TYR  50           HH       TYR  50   6.492 -27.092  -0.828
  Start of MODEL   39
    1   1H    ARG   1          H1        ARG   1  -4.232  16.215  -8.090
    2   2H    ARG   1          H2        ARG   1  -4.878  16.050  -9.653
    3   3H    ARG   1          H3        ARG   1  -4.852  17.571  -8.898
    4    HA   ARG   1           HA       ARG   1  -3.004  17.863 -10.161
    5   1HB   ARG   1          2HB       ARG   1  -2.642  17.056  -7.488
    6   2HB   ARG   1          1HB       ARG   1  -1.365  16.242  -8.394
    7   1HG   ARG   1          2HG       ARG   1  -0.609  18.344  -9.335
    8   2HG   ARG   1          1HG       ARG   1  -1.975  19.201  -8.621
    9   1HD   ARG   1          2HD       ARG   1  -0.981  19.313  -6.567
   10   2HD   ARG   1          1HD       ARG   1  -0.349  17.658  -6.686
   11    HE   ARG   1           HE       ARG   1   1.005  19.267  -8.608
   12   1HH1  ARG   1          1HH1      ARG   1   0.576  20.533  -5.641
   13   2HH1  ARG   1          2HH1      ARG   1   2.207  20.360  -5.083
   14   1HH2  ARG   1          1HH2      ARG   1   3.169  18.310  -7.708
   15   2HH2  ARG   1          2HH2      ARG   1   3.675  19.103  -6.255
   16    H    LYS   2           H        LYS   2  -0.641  16.177 -10.231
   17    HA   LYS   2           HA       LYS   2  -1.634  13.830 -11.816
   18   1HB   LYS   2          2HB       LYS   2  -0.367  16.206 -12.699
   19   2HB   LYS   2          1HB       LYS   2   0.846  14.931 -12.812
   20   1HG   LYS   2          2HG       LYS   2  -0.597  13.572 -14.181
   21   2HG   LYS   2          1HG       LYS   2  -1.967  14.648 -13.901
   22   1HD   LYS   2          2HD       LYS   2   0.596  15.488 -15.285
   23   2HD   LYS   2          1HD       LYS   2  -0.871  14.996 -16.132
   24   1HE   LYS   2          2HE       LYS   2  -2.014  16.827 -14.600
   25   2HE   LYS   2          1HE       LYS   2  -0.365  17.478 -14.520
   26   1HZ   LYS   2          1HZ       LYS   2  -1.811  18.188 -16.487
   27   2HZ   LYS   2          2HZ       LYS   2  -1.557  16.619 -17.084
   28   3HZ   LYS   2          3HZ       LYS   2  -0.237  17.657 -16.824
   29    H    GLY   3           H        GLY   3  -1.057  12.972  -9.469
   30   1HA   GLY   3          2HA       GLY   3   0.413  11.226  -8.667
   31   2HA   GLY   3          1HA       GLY   3   1.715  11.918  -9.634
   32    H    HIS   4           H        HIS   4  -0.379  12.729  -6.850
   33    HA   HIS   4           HA       HIS   4   1.909  13.532  -5.242
   34   1HB   HIS   4          2HB       HIS   4   0.588  15.416  -7.025
   35   2HB   HIS   4          1HB       HIS   4   0.492  15.952  -5.347
   36    HD1  HIS   4           HD1      HIS   4   2.871  15.478  -8.157
   37    HD2  HIS   4           HD2      HIS   4   3.080  16.312  -4.078
   38    HE1  HIS   4           HE1      HIS   4   5.234  16.272  -7.708
   39    H    PHE   5           H        PHE   5   0.578  11.909  -3.987
   40    HA   PHE   5           HA       PHE   5  -1.726  13.242  -2.597
   41   1HB   PHE   5          2HB       PHE   5  -1.232  10.297  -3.155
   42   2HB   PHE   5          1HB       PHE   5  -2.679  10.986  -2.417
   43    HD1  PHE   5           HD1      PHE   5  -4.151  12.520  -3.742
   44    HD2  PHE   5           HD2      PHE   5  -0.908  10.344  -5.530
   45    HE1  PHE   5           HE1      PHE   5  -5.117  12.925  -5.989
   46    HE2  PHE   5           HE2      PHE   5  -1.874  10.751  -7.777
   47    HZ   PHE   5           HZ       PHE   5  -3.979  12.041  -8.007
   48    H    SER   6           H        SER   6  -1.620  10.690  -0.843
   49    HA   SER   6           HA       SER   6   0.753  11.480   0.816
   50   1HB   SER   6          2HB       SER   6  -2.115  10.884   1.587
   51   2HB   SER   6          1HB       SER   6  -0.809  11.012   2.761
   52    HG   SER   6           HG       SER   6  -0.745  13.111   2.466
   53    H    ARG   7           H        ARG   7   2.098   9.743   1.031
   54    HA   ARG   7           HA       ARG   7   1.144   7.014   0.475
   55   1HB   ARG   7          2HB       ARG   7   3.543   8.503   0.321
   56   2HB   ARG   7          1HB       ARG   7   3.836   7.239   1.515
   57   1HG   ARG   7          2HG       ARG   7   3.374   5.510  -0.017
   58   2HG   ARG   7          1HG       ARG   7   2.522   6.592  -1.118
   59   1HD   ARG   7          2HD       ARG   7   5.175   7.612  -0.805
   60   2HD   ARG   7          1HD       ARG   7   5.293   5.878  -1.170
   61    HE   ARG   7           HE       ARG   7   3.283   7.006  -2.845
   62   1HH1  ARG   7          1HH2      ARG   7   6.367   5.796  -2.911
   63   2HH1  ARG   7          2HH2      ARG   7   6.905   6.701  -4.287
   64   1HH2  ARG   7          1HH1      ARG   7   4.102   8.740  -4.374
   65   2HH2  ARG   7          2HH1      ARG   7   5.621   8.367  -5.116
   66    H    CYS   8           H        CYS   8   0.526   5.585   2.059
   67    HA   CYS   8           HA       CYS   8   0.479   6.401   4.856
   68   1HB   CYS   8          2HB       CYS   8  -0.708   4.463   3.096
   69   2HB   CYS   8          1HB       CYS   8  -0.071   3.628   4.512
   70    HA   PRO   9           HA       PRO   9   4.486   4.720   5.772
   71   1HB   PRO   9          2HB       PRO   9   4.346   5.013   8.489
   72   2HB   PRO   9          1HB       PRO   9   4.648   6.370   7.386
   73   1HG   PRO   9          2HG       PRO   9   2.136   5.570   8.760
   74   2HG   PRO   9          1HG       PRO   9   2.773   7.185   8.419
   75   1HD   PRO   9          2HD       PRO   9   0.783   5.986   6.966
   76   2HD   PRO   9          1HD       PRO   9   1.867   7.240   6.324
   77    H    LYS  10           H        LYS  10   5.341   2.815   6.941
   78    HA   LYS  10           HA       LYS  10   3.603   0.533   6.867
   79   1HB   LYS  10          2HB       LYS  10   6.378   1.211   7.752
   80   2HB   LYS  10          1HB       LYS  10   5.708  -0.337   8.268
   81   1HG   LYS  10          2HG       LYS  10   5.008  -0.175   5.577
   82   2HG   LYS  10          1HG       LYS  10   6.645   0.481   5.629
   83   1HD   LYS  10          2HD       LYS  10   7.344  -1.532   6.959
   84   2HD   LYS  10          1HD       LYS  10   5.733  -2.204   6.699
   85   1HE   LYS  10          2HE       LYS  10   7.001  -1.259   4.216
   86   2HE   LYS  10          1HE       LYS  10   7.871  -2.594   4.998
   87   1HZ   LYS  10          1HZ       LYS  10   5.960  -3.254   3.506
   88   2HZ   LYS  10          2HZ       LYS  10   4.925  -2.584   4.675
   89   3HZ   LYS  10          3HZ       LYS  10   5.929  -3.895   5.075
   90    H    GLN  11           H        GLN  11   4.571   2.728   9.456
   91    HA   GLN  11           HA       GLN  11   3.752   1.139  11.694
   92   1HB   GLN  11          2HB       GLN  11   4.186   4.044  11.072
   93   2HB   GLN  11          1HB       GLN  11   3.474   3.601  12.623
   94   1HG   GLN  11          2HG       GLN  11   5.878   2.068  11.773
   95   2HG   GLN  11          1HG       GLN  11   6.136   3.745  12.252
   96   1HE2  GLN  11          1HE2      GLN  11   6.172   4.184  14.481
   97   2HE2  GLN  11          2HE2      GLN  11   5.722   3.072  15.683
   98    H    TYR  12           H        TYR  12   1.913   2.728   9.247
   99    HA   TYR  12           HA       TYR  12  -0.558   2.543  10.942
  100   1HB   TYR  12          2HB       TYR  12   0.591   4.572   9.233
  101   2HB   TYR  12          1HB       TYR  12  -1.002   4.113   8.630
  102    HD1  TYR  12           HD1      TYR  12   0.816   5.913  11.172
  103    HD2  TYR  12           HD2      TYR  12  -2.962   4.081  10.267
  104    HE1  TYR  12           HE1      TYR  12  -0.250   7.213  12.995
  105    HE2  TYR  12           HE2      TYR  12  -4.029   5.383  12.089
  106    HH   TYR  12           HH       TYR  12  -3.730   6.865  13.706
  107    H    LYS  13           H        LYS  13   1.089   0.981   8.497
  108    HA   LYS  13           HA       LYS  13  -1.251   0.312   6.823
  109   1HB   LYS  13          2HB       LYS  13   1.685   0.038   6.799
  110   2HB   LYS  13          1HB       LYS  13   0.833  -1.340   6.102
  111   1HG   LYS  13          2HG       LYS  13   0.323  -0.165   4.253
  112   2HG   LYS  13          1HG       LYS  13  -0.381   1.132   5.219
  113   1HD   LYS  13          2HD       LYS  13   1.373   2.425   4.660
  114   2HD   LYS  13          1HD       LYS  13   2.409   1.335   5.582
  115   1HE   LYS  13          2HE       LYS  13   2.501  -0.141   3.491
  116   2HE   LYS  13          1HE       LYS  13   1.771   1.223   2.622
  117   1HZ   LYS  13          1HZ       LYS  13   3.583   2.532   2.942
  118   2HZ   LYS  13          2HZ       LYS  13   4.376   1.029   2.954
  119   3HZ   LYS  13          3HZ       LYS  13   4.000   1.807   4.417
  120    H    HIS  14           H        HIS  14  -2.238  -0.559   9.038
  121    HA   HIS  14           HA       HIS  14  -1.237  -3.215   9.836
  122   1HB   HIS  14          2HB       HIS  14  -3.559  -1.429  10.612
  123   2HB   HIS  14          1HB       HIS  14  -3.304  -3.017  11.333
  124    HD1  HIS  14           HD1      HIS  14  -2.693  -2.079  13.670
  125    HD2  HIS  14           HD2      HIS  14  -0.225  -0.674  10.618
  126    HE1  HIS  14           HE1      HIS  14  -0.736  -0.935  14.799
  127    H    TYR  15           H        TYR  15  -3.470  -1.866   7.596
  128    HA   TYR  15           HA       TYR  15  -5.059  -4.352   7.348
  129   1HB   TYR  15          2HB       TYR  15  -6.179  -2.939   5.551
  130   2HB   TYR  15          1HB       TYR  15  -6.233  -2.249   7.172
  131    HD1  TYR  15           HD1      TYR  15  -5.633  -0.017   7.417
  132    HD2  TYR  15           HD2      TYR  15  -3.968  -2.284   4.170
  133    HE1  TYR  15           HE1      TYR  15  -4.470   2.014   6.596
  134    HE2  TYR  15           HE2      TYR  15  -2.806  -0.253   3.349
  135    HH   TYR  15           HH       TYR  15  -3.267   2.897   4.939
  136    H    CYS  16           H        CYS  16  -2.038  -3.424   6.390
  137    HA   CYS  16           HA       CYS  16  -2.000  -5.381   4.187
  138   1HB   CYS  16          2HB       CYS  16  -1.963  -2.414   3.839
  139   2HB   CYS  16          1HB       CYS  16  -0.883  -3.358   2.814
  140    H    ILE  17           H        ILE  17  -0.370  -6.452   5.419
  141    HA   ILE  17           HA       ILE  17   1.850  -5.283   6.714
  142    HB   ILE  17           HB       ILE  17   1.538  -7.923   5.251
  143   1HG1  ILE  17          2HG1      ILE  17  -0.138  -7.692   6.959
  144   2HG1  ILE  17          1HG1      ILE  17   1.129  -8.719   7.632
  145   1HG2  ILE  17          1HG2      ILE  17   3.925  -7.180   5.794
  146   2HG2  ILE  17          2HG2      ILE  17   3.421  -8.721   6.488
  147   3HG2  ILE  17          3HG2      ILE  17   3.462  -7.272   7.492
  148   1HD1  ILE  17          1HD1      ILE  17   0.672  -5.773   8.161
  149   2HD1  ILE  17          2HD1      ILE  17   2.144  -6.618   8.637
  150   3HD1  ILE  17          3HD1      ILE  17   0.592  -7.099   9.321
  151    H    LYS  18           H        LYS  18   2.475  -7.197   3.796
  152    HA   LYS  18           HA       LYS  18   4.573  -5.266   3.011
  153   1HB   LYS  18          2HB       LYS  18   5.243  -7.070   1.513
  154   2HB   LYS  18          1HB       LYS  18   4.886  -7.756   3.098
  155   1HG   LYS  18          2HG       LYS  18   2.461  -8.031   2.101
  156   2HG   LYS  18          1HG       LYS  18   3.305  -7.942   0.555
  157   1HD   LYS  18          2HD       LYS  18   4.169  -9.813   2.767
  158   2HD   LYS  18          1HD       LYS  18   3.006 -10.285   1.527
  159   1HE   LYS  18          2HE       LYS  18   4.924 -10.950   0.426
  160   2HE   LYS  18          1HE       LYS  18   4.968  -9.238  -0.043
  161   1HZ   LYS  18          1HZ       LYS  18   6.183 -10.323   2.441
  162   2HZ   LYS  18          2HZ       LYS  18   6.308  -8.733   1.856
  163   3HZ   LYS  18          3HZ       LYS  18   7.054 -10.010   1.019
  164    H    GLY  19           H        GLY  19   2.546  -3.740   2.582
  165   1HA   GLY  19          2HA       GLY  19   2.146  -3.752  -0.338
  166   2HA   GLY  19          1HA       GLY  19   0.676  -3.859   0.634
  167    H    ARG  20           H        ARG  20   1.428  -1.651  -1.110
  168    HA   ARG  20           HA       ARG  20   1.930   0.529   0.884
  169   1HB   ARG  20          2HB       ARG  20   2.787   1.773  -0.974
  170   2HB   ARG  20          1HB       ARG  20   3.421   0.139  -1.167
  171   1HG   ARG  20          2HG       ARG  20   1.677  -0.395  -2.784
  172   2HG   ARG  20          1HG       ARG  20   0.918   1.177  -2.528
  173   1HD   ARG  20          2HD       ARG  20   3.224   2.166  -3.232
  174   2HD   ARG  20          1HD       ARG  20   3.529   0.554  -3.908
  175    HE   ARG  20           HE       ARG  20   1.131   2.194  -4.649
  176   1HH1  ARG  20          1HH2      ARG  20   2.274  -0.845  -5.147
  177   2HH1  ARG  20          2HH2      ARG  20   2.435  -0.731  -6.868
  178   1HH2  ARG  20          1HH1      ARG  20   1.934   2.699  -6.956
  179   2HH2  ARG  20          2HH1      ARG  20   2.244   1.274  -7.891
  180    H    CYS  21           H        CYS  21   0.322   2.066   1.202
  181    HA   CYS  21           HA       CYS  21  -2.115   1.862  -0.540
  182   1HB   CYS  21          2HB       CYS  21  -2.414   0.871   1.691
  183   2HB   CYS  21          1HB       CYS  21  -1.855   2.365   2.442
  184    H    ARG  22           H        ARG  22  -2.501   3.760  -1.596
  185    HA   ARG  22           HA       ARG  22  -1.234   6.264  -0.593
  186   1HB   ARG  22          2HB       ARG  22  -0.908   5.480  -2.937
  187   2HB   ARG  22          1HB       ARG  22  -2.649   5.585  -3.194
  188   1HG   ARG  22          2HG       ARG  22  -2.349   7.739  -3.782
  189   2HG   ARG  22          1HG       ARG  22  -1.929   8.068  -2.101
  190   1HD   ARG  22          2HD       ARG  22   0.101   8.707  -2.928
  191   2HD   ARG  22          1HD       ARG  22   0.413   6.970  -3.124
  192    HE   ARG  22           HE       ARG  22  -1.081   8.328  -5.298
  193   1HH1  ARG  22          1HH2      ARG  22   2.057   8.682  -4.622
  194   2HH1  ARG  22          2HH2      ARG  22   2.691   7.731  -5.923
  195   1HH2  ARG  22          1HH1      ARG  22  -0.375   6.338  -6.752
  196   2HH2  ARG  22          2HH1      ARG  22   1.315   6.404  -7.128
  197    H    PHE  23           H        PHE  23  -2.568   7.336   0.838
  198    HA   PHE  23           HA       PHE  23  -5.515   7.224   0.467
  199   1HB   PHE  23          2HB       PHE  23  -4.086   6.910   2.648
  200   2HB   PHE  23          1HB       PHE  23  -4.030   8.673   2.648
  201    HD1  PHE  23           HD1      PHE  23  -6.554   9.618   1.809
  202    HD2  PHE  23           HD2      PHE  23  -5.696   6.098   4.117
  203    HE1  PHE  23           HE1      PHE  23  -8.839   9.692   2.772
  204    HE2  PHE  23           HE2      PHE  23  -7.980   6.172   5.080
  205    HZ   PHE  23           HZ       PHE  23  -9.552   7.969   4.407
  206    H    VAL  24           H        VAL  24  -6.250   8.756  -0.984
  207    HA   VAL  24           HA       VAL  24  -4.865  11.304  -1.386
  208    HB   VAL  24           HB       VAL  24  -7.605  10.433  -2.333
  209   1HG1  VAL  24          1HG1      VAL  24  -6.182  11.772  -4.339
  210   2HG1  VAL  24          2HG1      VAL  24  -5.808  12.659  -2.862
  211   3HG1  VAL  24          3HG1      VAL  24  -7.486  12.440  -3.358
  212   1HG2  VAL  24          1HG2      VAL  24  -5.523   9.957  -4.258
  213   2HG2  VAL  24          2HG2      VAL  24  -6.654   8.798  -3.560
  214   3HG2  VAL  24          3HG2      VAL  24  -5.116   9.121  -2.760
  215    H    VAL  25           H        VAL  25  -5.145  12.989   0.005
  216    HA   VAL  25           HA       VAL  25  -7.359  13.077   1.913
  217    HB   VAL  25           HB       VAL  25  -5.188  15.074   1.199
  218   1HG1  VAL  25          1HG1      VAL  25  -7.430  15.322   2.883
  219   2HG1  VAL  25          2HG1      VAL  25  -6.017  16.377   2.840
  220   3HG1  VAL  25          3HG1      VAL  25  -6.067  15.016   3.960
  221   1HG2  VAL  25          1HG2      VAL  25  -5.061  13.306   3.602
  222   2HG2  VAL  25          2HG2      VAL  25  -3.751  13.934   2.601
  223   3HG2  VAL  25          3HG2      VAL  25  -4.715  12.568   2.038
  224    H    ALA  26           H        ALA  26  -6.225  15.546  -0.440
  225    HA   ALA  26           HA       ALA  26  -8.395  17.247  -0.509
  226   1HB   ALA  26          1HB       ALA  26  -7.582  17.884  -2.635
  227   2HB   ALA  26          2HB       ALA  26  -7.152  16.227  -3.062
  228   3HB   ALA  26          3HB       ALA  26  -6.180  17.116  -1.889
  229    H    GLU  27           H        GLU  27  -8.102  14.203  -2.347
  230    HA   GLU  27           HA       GLU  27 -11.067  14.267  -2.793
  231   1HB   GLU  27          2HB       GLU  27  -8.685  13.535  -4.411
  232   2HB   GLU  27          1HB       GLU  27 -10.074  12.459  -4.578
  233   1HG   GLU  27          2HG       GLU  27 -11.478  14.586  -4.905
  234   2HG   GLU  27          1HG       GLU  27  -9.943  15.430  -5.117
  235    H    GLN  28           H        GLN  28 -11.502  13.221  -0.754
  236    HA   GLN  28           HA       GLN  28 -10.407  11.151   0.600
  237   1HB   GLN  28          2HB       GLN  28 -12.945  12.288   0.286
  238   2HB   GLN  28          1HB       GLN  28 -13.208  10.557   0.071
  239   1HG   GLN  28          2HG       GLN  28 -13.148  10.363   2.316
  240   2HG   GLN  28          1HG       GLN  28 -11.428  10.745   2.229
  241   1HE2  GLN  28          1HE2      GLN  28 -11.511  13.470   1.498
  242   2HE2  GLN  28          2HE2      GLN  28 -12.256  14.360   2.737
  243    H    THR  29           H        THR  29  -9.130   9.755  -0.760
  244    HA   THR  29           HA       THR  29 -10.730   7.581  -2.024
  245    HB   THR  29           HB       THR  29  -8.574   9.238  -3.369
  246    HG1  THR  29           1HG      THR  29 -10.536   9.232  -4.895
  247   1HG2  THR  29          1HG2      THR  29 -10.083   6.949  -4.618
  248   2HG2  THR  29          2HG2      THR  29  -8.562   6.683  -3.766
  249   3HG2  THR  29          3HG2      THR  29  -8.607   7.732  -5.183
  250    HA   PRO  30           HA       PRO  30  -7.113   6.037   0.357
  251   1HB   PRO  30          2HB       PRO  30  -8.499   4.132   1.741
  252   2HB   PRO  30          1HB       PRO  30  -8.378   5.818   2.284
  253   1HG   PRO  30          2HG       PRO  30 -10.629   4.412   0.965
  254   2HG   PRO  30          1HG       PRO  30 -10.653   5.706   2.170
  255   1HD   PRO  30          2HD       PRO  30 -11.090   6.045  -0.543
  256   2HD   PRO  30          1HD       PRO  30 -10.621   7.333   0.587
  257    H    SER  31           H        SER  31  -6.132   4.987  -1.423
  258    HA   SER  31           HA       SER  31  -7.427   2.483  -2.429
  259   1HB   SER  31          2HB       SER  31  -5.175   4.180  -3.552
  260   2HB   SER  31          1HB       SER  31  -5.977   2.847  -4.377
  261    HG   SER  31           HG       SER  31  -7.228   4.409  -5.058
  262    H    CYS  32           H        CYS  32  -6.606   0.636  -1.525
  263    HA   CYS  32           HA       CYS  32  -3.866   0.677  -0.361
  264   1HB   CYS  32          2HB       CYS  32  -4.641  -1.305   0.811
  265   2HB   CYS  32          1HB       CYS  32  -5.914  -0.087   0.900
  266    H    VAL  33           H        VAL  33  -2.276  -0.839  -1.033
  267    HA   VAL  33           HA       VAL  33  -2.927  -2.616  -3.336
  268    HB   VAL  33           HB       VAL  33  -0.650  -0.610  -3.295
  269   1HG1  VAL  33          1HG1      VAL  33  -0.634  -2.847  -4.681
  270   2HG1  VAL  33          2HG1      VAL  33  -0.154  -1.339  -5.459
  271   3HG1  VAL  33          3HG1      VAL  33  -1.773  -1.988  -5.718
  272   1HG2  VAL  33          1HG2      VAL  33  -2.855   0.518  -3.403
  273   2HG2  VAL  33          2HG2      VAL  33  -3.302  -0.503  -4.770
  274   3HG2  VAL  33          3HG2      VAL  33  -1.985   0.660  -4.932
  275    H    CYS  34           H        CYS  34  -1.440  -4.386  -3.518
  276    HA   CYS  34           HA       CYS  34   0.470  -4.657  -1.217
  277   1HB   CYS  34          2HB       CYS  34  -1.081  -6.823  -2.667
  278   2HB   CYS  34          1HB       CYS  34  -0.169  -6.995  -1.168
  279    H    ASP  35           H        ASP  35   2.355  -6.074  -1.703
  280    HA   ASP  35           HA       ASP  35   3.734  -5.389  -4.084
  281   1HB   ASP  35          2HB       ASP  35   3.995  -7.216  -1.787
  282   2HB   ASP  35          1HB       ASP  35   4.849  -7.765  -3.229
  283    H    GLU  36           H        GLU  36   3.510  -6.155  -6.154
  284    HA   GLU  36           HA       GLU  36   1.525  -7.908  -7.058
  285   1HB   GLU  36          2HB       GLU  36   3.546  -6.386  -8.123
  286   2HB   GLU  36          1HB       GLU  36   4.097  -8.017  -8.507
  287   1HG   GLU  36          2HG       GLU  36   1.221  -7.501  -8.992
  288   2HG   GLU  36          1HG       GLU  36   2.337  -6.633 -10.048
  289    H    GLY  37           H        GLY  37   4.897  -8.708  -6.175
  290   1HA   GLY  37          2HA       GLY  37   4.346 -11.584  -6.570
  291   2HA   GLY  37          1HA       GLY  37   5.909 -10.877  -6.154
  292    H    TYR  38           H        TYR  38   2.756 -10.452  -4.550
  293    HA   TYR  38           HA       TYR  38   4.033 -11.492  -2.047
  294   1HB   TYR  38          2HB       TYR  38   3.042  -9.731  -0.933
  295   2HB   TYR  38          1HB       TYR  38   3.150  -8.998  -2.530
  296    HD1  TYR  38           HD1      TYR  38   1.029  -9.299   0.128
  297    HD2  TYR  38           HD2      TYR  38   1.035  -9.973  -4.113
  298    HE1  TYR  38           HE1      TYR  38  -1.438  -9.059   0.084
  299    HE2  TYR  38           HE2      TYR  38  -1.430  -9.735  -4.156
  300    HH   TYR  38           HH       TYR  38  -3.303  -9.784  -2.787
  301    H    ILE  39           H        ILE  39   2.309 -12.394  -0.474
  302    HA   ILE  39           HA       ILE  39  -0.029 -13.625  -1.831
  303    HB   ILE  39           HB       ILE  39   2.202 -15.178  -0.476
  304   1HG1  ILE  39          2HG1      ILE  39   1.391 -14.860  -3.381
  305   2HG1  ILE  39          1HG1      ILE  39   2.934 -14.413  -2.651
  306   1HG2  ILE  39          1HG2      ILE  39   0.121 -16.313  -0.104
  307   2HG2  ILE  39          2HG2      ILE  39   0.902 -17.137  -1.454
  308   3HG2  ILE  39          3HG2      ILE  39  -0.415 -16.003  -1.756
  309   1HD1  ILE  39          1HD1      ILE  39   2.812 -17.032  -1.943
  310   2HD1  ILE  39          2HD1      ILE  39   3.588 -16.461  -3.421
  311   3HD1  ILE  39          3HD1      ILE  39   1.938 -17.080  -3.475
  312    H    GLY  40           H        GLY  40  -1.321 -14.926  -0.131
  313   1HA   GLY  40          2HA       GLY  40  -1.923 -15.283   2.192
  314   2HA   GLY  40          1HA       GLY  40  -0.884 -13.929   2.637
  315    H    ALA  41           H        ALA  41  -3.429 -13.936   3.648
  316    HA   ALA  41           HA       ALA  41  -5.210 -12.363   1.904
  317   1HB   ALA  41          1HB       ALA  41  -6.633 -12.464   3.999
  318   2HB   ALA  41          2HB       ALA  41  -5.316 -13.348   4.770
  319   3HB   ALA  41          3HB       ALA  41  -6.146 -14.041   3.377
  320    H    ARG  42           H        ARG  42  -3.285 -11.857   4.868
  321    HA   ARG  42           HA       ARG  42  -3.938  -8.957   4.824
  322   1HB   ARG  42          2HB       ARG  42  -2.531 -10.835   6.738
  323   2HB   ARG  42          1HB       ARG  42  -2.638  -9.097   7.016
  324   1HG   ARG  42          2HG       ARG  42  -5.190  -9.412   6.650
  325   2HG   ARG  42          1HG       ARG  42  -4.866 -11.125   6.925
  326   1HD   ARG  42          2HD       ARG  42  -4.280 -10.797   9.153
  327   2HD   ARG  42          1HD       ARG  42  -3.759  -9.123   8.875
  328    HE   ARG  42           HE       ARG  42  -6.645  -9.877   8.648
  329   1HH1  ARG  42          1HH1      ARG  42  -4.590  -8.800  11.005
  330   2HH1  ARG  42          2HH1      ARG  42  -5.385  -7.287  11.288
  331   1HH2  ARG  42          1HH2      ARG  42  -7.459  -7.555   8.522
  332   2HH2  ARG  42          2HH2      ARG  42  -7.008  -6.582   9.883
  333    H    CYS  43           H        CYS  43  -2.026 -10.495   2.910
  334    HA   CYS  43           HA       CYS  43  -0.017  -9.938   1.791
  335   1HB   CYS  43          2HB       CYS  43   0.004  -7.510   3.600
  336   2HB   CYS  43          1HB       CYS  43   0.648  -7.648   1.966
  337    H    GLU  44           H        GLU  44  -0.030 -11.485   4.349
  338    HA   GLU  44           HA       GLU  44   2.463 -10.642   5.708
  339   1HB   GLU  44          2HB       GLU  44   0.386 -12.809   6.098
  340   2HB   GLU  44          1HB       GLU  44   1.833 -12.697   7.101
  341   1HG   GLU  44          2HG       GLU  44   1.155 -10.717   8.102
  342   2HG   GLU  44          1HG       GLU  44   0.156 -10.243   6.727
  343    H    ARG  45           H        ARG  45   1.444 -12.846   3.223
  344    HA   ARG  45           HA       ARG  45   3.897 -14.506   3.518
  345   1HB   ARG  45          2HB       ARG  45   1.257 -14.668   2.111
  346   2HB   ARG  45          1HB       ARG  45   2.602 -15.613   1.473
  347   1HG   ARG  45          2HG       ARG  45   1.949 -17.161   3.007
  348   2HG   ARG  45          1HG       ARG  45   2.813 -16.132   4.150
  349   1HD   ARG  45          2HD       ARG  45   0.883 -15.595   5.208
  350   2HD   ARG  45          1HD       ARG  45   0.124 -15.119   3.676
  351    HE   ARG  45           HE       ARG  45  -0.904 -17.238   3.641
  352   1HH1  ARG  45          1HH2      ARG  45   1.486 -17.135   6.072
  353   2HH1  ARG  45          2HH2      ARG  45   1.546 -18.851   6.297
  354   1HH2  ARG  45          1HH1      ARG  45  -0.624 -19.536   3.681
  355   2HH2  ARG  45          2HH1      ARG  45   0.352 -20.210   4.944
  356    H    VAL  46           H        VAL  46   5.180 -14.912   1.495
  357    HA   VAL  46           HA       VAL  46   5.007 -12.771  -0.563
  358    HB   VAL  46           HB       VAL  46   6.415 -11.901   1.254
  359   1HG1  VAL  46          1HG1      VAL  46   7.096 -14.005   2.274
  360   2HG1  VAL  46          2HG1      VAL  46   8.540 -13.111   1.798
  361   3HG1  VAL  46          3HG1      VAL  46   7.978 -14.463   0.817
  362   1HG2  VAL  46          1HG2      VAL  46   8.295 -12.805  -0.930
  363   2HG2  VAL  46          2HG2      VAL  46   8.265 -11.262  -0.077
  364   3HG2  VAL  46          3HG2      VAL  46   7.012 -11.641  -1.257
  365    H    ASP  47           H        ASP  47   6.114 -13.356  -2.524
  366    HA   ASP  47           HA       ASP  47   6.668 -16.277  -2.758
  367   1HB   ASP  47          2HB       ASP  47   5.040 -14.743  -4.180
  368   2HB   ASP  47          1HB       ASP  47   6.522 -14.343  -5.049
  369    H    LEU  48           H        LEU  48   8.789 -15.322  -1.497
  370    HA   LEU  48           HA       LEU  48  10.853 -14.953  -3.636
  371   1HB   LEU  48          2HB       LEU  48  10.088 -13.252  -1.350
  372   2HB   LEU  48          1HB       LEU  48  11.821 -13.554  -1.474
  373    HG   LEU  48           HG       LEU  48  11.440 -12.998  -4.020
  374   1HD1  LEU  48          1HD1      LEU  48   9.658 -11.085  -4.037
  375   2HD1  LEU  48          2HD1      LEU  48   8.995 -11.921  -2.632
  376   3HD1  LEU  48          3HD1      LEU  48   9.111 -12.755  -4.181
  377   1HD2  LEU  48          1HD2      LEU  48  12.084 -10.728  -3.572
  378   2HD2  LEU  48          2HD2      LEU  48  12.752 -11.701  -2.261
  379   3HD2  LEU  48          3HD2      LEU  48  11.291 -10.748  -1.997
  380    H    PHE  49           H        PHE  49  12.808 -16.048  -3.222
  381    HA   PHE  49           HA       PHE  49  12.697 -18.128  -1.122
  382   1HB   PHE  49          2HB       PHE  49  14.608 -17.487  -3.392
  383   2HB   PHE  49          1HB       PHE  49  14.741 -18.910  -2.359
  384    HD1  PHE  49           HD1      PHE  49  12.075 -19.880  -1.993
  385    HD2  PHE  49           HD2      PHE  49  13.815 -18.106  -5.497
  386    HE1  PHE  49           HE1      PHE  49  10.425 -21.069  -3.415
  387    HE2  PHE  49           HE2      PHE  49  12.166 -19.294  -6.918
  388    HZ   PHE  49           HZ       PHE  49  10.471 -20.776  -5.878
  389    H    TYR  50           H        TYR  50  13.167 -15.202  -0.464
  390    HA   TYR  50           HA       TYR  50  15.754 -14.435   0.126
  391   1HB   TYR  50          2HB       TYR  50  14.775 -13.184   1.939
  392   2HB   TYR  50          1HB       TYR  50  13.537 -13.314   0.690
  393    HD1  TYR  50           HD1      TYR  50  11.481 -14.433   1.106
  394    HD2  TYR  50           HD2      TYR  50  14.731 -14.804   3.889
  395    HE1  TYR  50           HE1      TYR  50   9.969 -15.552   2.721
  396    HE2  TYR  50           HE2      TYR  50  13.220 -15.924   5.505
  397    HH   TYR  50           HH       TYR  50  10.732 -15.980   5.958
  Start of MODEL   40
    1   1H    ARG   1          H1        ARG   1   3.217  16.175 -11.084
    2   2H    ARG   1          H2        ARG   1   2.518  15.280 -12.347
    3   3H    ARG   1          H3        ARG   1   2.823  16.939 -12.546
    4    HA   ARG   1           HA       ARG   1   4.540  15.825 -13.721
    5   1HB   ARG   1          2HB       ARG   1   4.899  17.364 -11.289
    6   2HB   ARG   1          1HB       ARG   1   6.289  16.314 -11.564
    7   1HG   ARG   1          2HG       ARG   1   6.986  17.535 -13.332
    8   2HG   ARG   1          1HG       ARG   1   5.363  17.595 -14.023
    9   1HD   ARG   1          2HD       ARG   1   5.089  19.718 -13.287
   10   2HD   ARG   1          1HD       ARG   1   5.484  19.226 -11.627
   11    HE   ARG   1           HE       ARG   1   7.944  19.273 -12.515
   12   1HH1  ARG   1          1HH1      ARG   1   6.031  20.662 -14.817
   13   2HH1  ARG   1          2HH1      ARG   1   6.754  22.235 -14.761
   14   1HH2  ARG   1          1HH2      ARG   1   8.602  21.576 -11.903
   15   2HH2  ARG   1          2HH2      ARG   1   8.210  22.752 -13.111
   16    H    LYS   2           H        LYS   2   3.724  14.369 -10.651
   17    HA   LYS   2           HA       LYS   2   4.669  11.763 -11.464
   18   1HB   LYS   2          2HB       LYS   2   6.792  13.087 -11.019
   19   2HB   LYS   2          1HB       LYS   2   6.293  13.178  -9.330
   20   1HG   LYS   2          2HG       LYS   2   6.286  10.744  -9.158
   21   2HG   LYS   2          1HG       LYS   2   6.668  10.595 -10.873
   22   1HD   LYS   2          2HD       LYS   2   8.809  10.442 -10.054
   23   2HD   LYS   2          1HD       LYS   2   8.696  12.201 -10.128
   24   1HE   LYS   2          2HE       LYS   2   8.467  12.420  -7.826
   25   2HE   LYS   2          1HE       LYS   2   7.725  10.818  -7.646
   26   1HZ   LYS   2          1HZ       LYS   2  10.179  11.094  -6.977
   27   2HZ   LYS   2          2HZ       LYS   2  10.487  11.096  -8.647
   28   3HZ   LYS   2          3HZ       LYS   2   9.749   9.751  -7.919
   29    H    GLY   3           H        GLY   3   2.282  11.884 -10.627
   30   1HA   GLY   3          2HA       GLY   3   0.762  11.145  -8.995
   31   2HA   GLY   3          1HA       GLY   3   2.154  10.583  -8.068
   32    H    HIS   4           H        HIS   4  -0.355  12.195  -7.339
   33    HA   HIS   4           HA       HIS   4   1.112  14.299  -5.799
   34   1HB   HIS   4          2HB       HIS   4  -0.856  14.578  -7.930
   35   2HB   HIS   4          1HB       HIS   4  -1.402  15.358  -6.445
   36    HD1  HIS   4           HD1      HIS   4   1.506  16.125  -5.427
   37    HD2  HIS   4           HD2      HIS   4  -0.028  16.955  -9.215
   38    HE1  HIS   4           HE1      HIS   4   2.837  18.084  -6.325
   39    H    PHE   5           H        PHE   5   0.492  11.957  -4.565
   40    HA   PHE   5           HA       PHE   5  -1.978  12.608  -2.987
   41   1HB   PHE   5          2HB       PHE   5  -0.838   9.883  -3.683
   42   2HB   PHE   5          1HB       PHE   5  -2.369  10.202  -2.867
   43    HD1  PHE   5           HD1      PHE   5  -4.226  11.346  -4.096
   44    HD2  PHE   5           HD2      PHE   5  -0.630  10.063  -6.064
   45    HE1  PHE   5           HE1      PHE   5  -5.358  11.546  -6.293
   46    HE2  PHE   5           HE2      PHE   5  -1.762  10.264  -8.262
   47    HZ   PHE   5           HZ       PHE   5  -4.126  11.006  -8.377
   48    H    SER   6           H        SER   6  -1.425  10.385  -1.162
   49    HA   SER   6           HA       SER   6   1.117  11.303   0.134
   50   1HB   SER   6          2HB       SER   6  -1.706  11.346   1.062
   51   2HB   SER   6          1HB       SER   6  -0.511  10.836   2.250
   52    HG   SER   6           HG       SER   6  -0.243  13.162   0.650
   53    H    ARG   7           H        ARG   7   2.355   9.603   0.874
   54    HA   ARG   7           HA       ARG   7   1.393   6.858   0.428
   55   1HB   ARG   7          2HB       ARG   7   3.727   6.309   0.886
   56   2HB   ARG   7          1HB       ARG   7   3.673   7.722  -0.167
   57   1HG   ARG   7          2HG       ARG   7   3.586   8.464   2.654
   58   2HG   ARG   7          1HG       ARG   7   5.036   7.543   2.258
   59   1HD   ARG   7          2HD       ARG   7   4.774   9.308   0.109
   60   2HD   ARG   7          1HD       ARG   7   4.353  10.286   1.530
   61    HE   ARG   7           HE       ARG   7   6.772   8.558   1.674
   62   1HH1  ARG   7          1HH2      ARG   7   7.150  11.050  -0.004
   63   2HH1  ARG   7          2HH2      ARG   7   7.730  12.176   1.177
   64   1HH2  ARG   7          1HH1      ARG   7   6.711  10.268   3.885
   65   2HH2  ARG   7          2HH1      ARG   7   7.481  11.734   3.379
   66    H    CYS   8           H        CYS   8   1.222   5.268   2.100
   67    HA   CYS   8           HA       CYS   8   0.516   6.366   4.755
   68   1HB   CYS   8          2HB       CYS   8  -0.343   4.289   3.048
   69   2HB   CYS   8          1HB       CYS   8   0.355   3.488   4.456
   70    HA   PRO   9           HA       PRO   9   4.498   5.223   6.344
   71   1HB   PRO   9          2HB       PRO   9   3.940   5.671   8.985
   72   2HB   PRO   9          1HB       PRO   9   4.251   6.979   7.827
   73   1HG   PRO   9          2HG       PRO   9   1.667   5.980   8.904
   74   2HG   PRO   9          1HG       PRO   9   2.171   7.635   8.532
   75   1HD   PRO   9          2HD       PRO   9   0.551   6.136   6.914
   76   2HD   PRO   9          1HD       PRO   9   1.590   7.455   6.330
   77    H    LYS  10           H        LYS  10   5.380   3.531   7.790
   78    HA   LYS  10           HA       LYS  10   3.950   1.043   7.661
   79   1HB   LYS  10          2HB       LYS  10   6.509   1.773   7.889
   80   2HB   LYS  10          1HB       LYS  10   6.176   1.524   9.603
   81   1HG   LYS  10          2HG       LYS  10   5.616  -0.754   9.281
   82   2HG   LYS  10          1HG       LYS  10   5.431  -0.548   7.539
   83   1HD   LYS  10          2HD       LYS  10   8.042   0.284   8.021
   84   2HD   LYS  10          1HD       LYS  10   7.844  -1.104   9.092
   85   1HE   LYS  10          2HE       LYS  10   6.639  -1.706   6.540
   86   2HE   LYS  10          1HE       LYS  10   8.313  -1.169   6.298
   87   1HZ   LYS  10          1HZ       LYS  10   7.597  -3.043   8.470
   88   2HZ   LYS  10          2HZ       LYS  10   9.122  -2.755   7.778
   89   3HZ   LYS  10          3HZ       LYS  10   7.939  -3.611   6.908
   90    H    GLN  11           H        GLN  11   4.261   3.512  10.162
   91    HA   GLN  11           HA       GLN  11   3.290   1.960  12.379
   92   1HB   GLN  11          2HB       GLN  11   4.243   4.543  11.818
   93   2HB   GLN  11          1HB       GLN  11   2.616   4.786  12.454
   94   1HG   GLN  11          2HG       GLN  11   3.757   2.797  14.082
   95   2HG   GLN  11          1HG       GLN  11   5.023   4.007  13.864
   96   1HE2  GLN  11          1HE2      GLN  11   1.433   4.126  14.308
   97   2HE2  GLN  11          2HE2      GLN  11   1.481   5.321  15.513
   98    H    TYR  12           H        TYR  12   1.707   3.066   9.574
   99    HA   TYR  12           HA       TYR  12  -0.963   2.828  10.931
  100   1HB   TYR  12          2HB       TYR  12   0.242   4.779   9.072
  101   2HB   TYR  12          1HB       TYR  12  -1.383   4.263   8.623
  102    HD1  TYR  12           HD1      TYR  12   0.476   6.516  10.612
  103    HD2  TYR  12           HD2      TYR  12  -3.118   4.162  10.631
  104    HE1  TYR  12           HE1      TYR  12  -0.478   7.985  12.368
  105    HE2  TYR  12           HE2      TYR  12  -4.071   5.631  12.388
  106    HH   TYR  12           HH       TYR  12  -3.534   8.276  13.060
  107    H    LYS  13           H        LYS  13   1.099   1.152   9.032
  108    HA   LYS  13           HA       LYS  13  -0.806   0.301   6.938
  109   1HB   LYS  13          2HB       LYS  13   2.071  -0.006   7.633
  110   2HB   LYS  13          1HB       LYS  13   1.347  -1.324   6.712
  111   1HG   LYS  13          2HG       LYS  13   0.610   0.221   4.984
  112   2HG   LYS  13          1HG       LYS  13   1.170   1.600   5.931
  113   1HD   LYS  13          2HD       LYS  13   3.448   1.023   5.639
  114   2HD   LYS  13          1HD       LYS  13   3.052  -0.614   5.114
  115   1HE   LYS  13          2HE       LYS  13   2.227   0.154   3.001
  116   2HE   LYS  13          1HE       LYS  13   2.217   1.844   3.545
  117   1HZ   LYS  13          1HZ       LYS  13   4.711   1.292   4.069
  118   2HZ   LYS  13          2HZ       LYS  13   4.239   1.775   2.511
  119   3HZ   LYS  13          3HZ       LYS  13   4.495   0.131   2.852
  120    H    HIS  14           H        HIS  14  -2.069  -0.337   9.239
  121    HA   HIS  14           HA       HIS  14  -1.295  -3.026  10.173
  122   1HB   HIS  14          2HB       HIS  14  -3.136  -0.833  10.896
  123   2HB   HIS  14          1HB       HIS  14  -3.770  -2.448  11.208
  124    HD1  HIS  14           HD1      HIS  14  -0.213  -1.114  11.561
  125    HD2  HIS  14           HD2      HIS  14  -3.184  -2.908  13.870
  126    HE1  HIS  14           HE1      HIS  14   0.804  -1.525  13.843
  127    H    TYR  15           H        TYR  15  -3.219  -1.641   7.701
  128    HA   TYR  15           HA       TYR  15  -4.991  -3.999   7.447
  129   1HB   TYR  15          2HB       TYR  15  -5.827  -2.610   5.481
  130   2HB   TYR  15          1HB       TYR  15  -5.961  -1.824   7.052
  131    HD1  TYR  15           HD1      TYR  15  -5.200   0.363   7.236
  132    HD2  TYR  15           HD2      TYR  15  -3.456  -2.216   4.275
  133    HE1  TYR  15           HE1      TYR  15  -3.801   2.243   6.423
  134    HE2  TYR  15           HE2      TYR  15  -2.057  -0.336   3.463
  135    HH   TYR  15           HH       TYR  15  -1.236   2.111   4.931
  136    H    CYS  16           H        CYS  16  -1.829  -3.362   6.704
  137    HA   CYS  16           HA       CYS  16  -1.765  -5.467   4.645
  138   1HB   CYS  16          2HB       CYS  16  -1.504  -2.547   4.102
  139   2HB   CYS  16          1HB       CYS  16  -0.397  -3.618   3.243
  140    H    ILE  17           H        ILE  17   0.031  -6.653   5.178
  141    HA   ILE  17           HA       ILE  17   2.108  -5.529   6.917
  142    HB   ILE  17           HB       ILE  17   1.735  -8.199   5.526
  143   1HG1  ILE  17          2HG1      ILE  17   1.352  -7.478   8.441
  144   2HG1  ILE  17          1HG1      ILE  17   0.034  -7.441   7.269
  145   1HG2  ILE  17          1HG2      ILE  17   4.118  -7.353   6.364
  146   2HG2  ILE  17          2HG2      ILE  17   3.593  -9.015   6.638
  147   3HG2  ILE  17          3HG2      ILE  17   3.468  -7.824   7.934
  148   1HD1  ILE  17          1HD1      ILE  17   0.622  -9.846   6.700
  149   2HD1  ILE  17          2HD1      ILE  17  -0.044  -9.600   8.314
  150   3HD1  ILE  17          3HD1      ILE  17   1.691  -9.833   8.102
  151    H    LYS  18           H        LYS  18   2.347  -7.259   3.771
  152    HA   LYS  18           HA       LYS  18   4.773  -5.613   3.173
  153   1HB   LYS  18          2HB       LYS  18   5.401  -7.470   1.751
  154   2HB   LYS  18          1HB       LYS  18   4.861  -8.139   3.290
  155   1HG   LYS  18          2HG       LYS  18   2.514  -8.227   2.108
  156   2HG   LYS  18          1HG       LYS  18   3.472  -8.161   0.628
  157   1HD   LYS  18          2HD       LYS  18   3.597 -10.244   2.816
  158   2HD   LYS  18          1HD       LYS  18   3.194 -10.484   1.115
  159   1HE   LYS  18          2HE       LYS  18   5.905  -9.510   2.088
  160   2HE   LYS  18          1HE       LYS  18   5.542 -11.193   1.656
  161   1HZ   LYS  18          1HZ       LYS  18   4.898 -10.520  -0.526
  162   2HZ   LYS  18          2HZ       LYS  18   6.431  -9.853  -0.221
  163   3HZ   LYS  18          3HZ       LYS  18   5.044  -8.877  -0.134
  164    H    GLY  19           H        GLY  19   2.746  -4.007   2.697
  165   1HA   GLY  19          2HA       GLY  19   2.520  -3.982  -0.249
  166   2HA   GLY  19          1HA       GLY  19   1.003  -4.028   0.650
  167    H    ARG  20           H        ARG  20   1.893  -1.864  -1.057
  168    HA   ARG  20           HA       ARG  20   2.448   0.318   0.916
  169   1HB   ARG  20          2HB       ARG  20   3.528  -0.356  -1.563
  170   2HB   ARG  20          1HB       ARG  20   2.433   0.974  -1.940
  171   1HG   ARG  20          2HG       ARG  20   3.499   2.403  -0.300
  172   2HG   ARG  20          1HG       ARG  20   4.490   1.066   0.282
  173   1HD   ARG  20          2HD       ARG  20   5.692   0.949  -1.826
  174   2HD   ARG  20          1HD       ARG  20   4.603   2.147  -2.556
  175    HE   ARG  20           HE       ARG  20   5.431   3.680  -0.624
  176   1HH1  ARG  20          1HH1      ARG  20   7.260   3.143  -3.092
  177   2HH1  ARG  20          2HH1      ARG  20   8.790   2.978  -2.297
  178   1HH2  ARG  20          1HH2      ARG  20   7.409   2.607   0.863
  179   2HH2  ARG  20          2HH2      ARG  20   8.874   2.674  -0.058
  180    H    CYS  21           H        CYS  21   0.862   1.874   1.268
  181    HA   CYS  21           HA       CYS  21  -1.627   1.667  -0.397
  182   1HB   CYS  21          2HB       CYS  21  -1.980   0.821   1.833
  183   2HB   CYS  21          1HB       CYS  21  -1.162   2.211   2.546
  184    H    ARG  22           H        ARG  22  -2.639   3.634  -0.972
  185    HA   ARG  22           HA       ARG  22  -1.095   6.136  -0.366
  186   1HB   ARG  22          2HB       ARG  22  -1.075   4.933  -2.732
  187   2HB   ARG  22          1HB       ARG  22  -2.639   5.728  -2.907
  188   1HG   ARG  22          2HG       ARG  22  -1.717   7.811  -3.029
  189   2HG   ARG  22          1HG       ARG  22  -0.459   7.433  -1.853
  190   1HD   ARG  22          2HD       ARG  22  -0.425   6.243  -4.636
  191   2HD   ARG  22          1HD       ARG  22   0.342   7.801  -4.269
  192    HE   ARG  22           HE       ARG  22   1.005   5.379  -2.648
  193   1HH1  ARG  22          1HH1      ARG  22   2.210   6.486  -5.446
  194   2HH1  ARG  22          2HH1      ARG  22   3.749   7.008  -4.849
  195   1HH2  ARG  22          1HH2      ARG  22   2.844   6.725  -1.512
  196   2HH2  ARG  22          2HH2      ARG  22   4.108   7.145  -2.620
  197    H    PHE  23           H        PHE  23  -2.387   7.487   0.826
  198    HA   PHE  23           HA       PHE  23  -5.350   7.218   0.609
  199   1HB   PHE  23          2HB       PHE  23  -3.832   7.169   2.763
  200   2HB   PHE  23          1HB       PHE  23  -3.865   8.924   2.589
  201    HD1  PHE  23           HD1      PHE  23  -6.402   9.752   1.840
  202    HD2  PHE  23           HD2      PHE  23  -5.412   6.338   4.250
  203    HE1  PHE  23           HE1      PHE  23  -8.665   9.811   2.851
  204    HE2  PHE  23           HE2      PHE  23  -7.676   6.396   5.262
  205    HZ   PHE  23           HZ       PHE  23  -9.302   8.133   4.563
  206    H    VAL  24           H        VAL  24  -6.299   8.639  -0.802
  207    HA   VAL  24           HA       VAL  24  -4.949  11.160  -1.537
  208    HB   VAL  24           HB       VAL  24  -7.637  10.014  -2.352
  209   1HG1  VAL  24          1HG1      VAL  24  -6.535  11.368  -4.489
  210   2HG1  VAL  24          2HG1      VAL  24  -6.039  12.358  -3.116
  211   3HG1  VAL  24          3HG1      VAL  24  -7.750  12.026  -3.392
  212   1HG2  VAL  24          1HG2      VAL  24  -6.576   8.503  -3.659
  213   2HG2  VAL  24          2HG2      VAL  24  -5.122   8.858  -2.727
  214   3HG2  VAL  24          3HG2      VAL  24  -5.431   9.712  -4.240
  215    H    VAL  25           H        VAL  25  -5.228  12.884  -0.171
  216    HA   VAL  25           HA       VAL  25  -7.444  13.073   1.704
  217    HB   VAL  25           HB       VAL  25  -5.464  15.193   0.826
  218   1HG1  VAL  25          1HG1      VAL  25  -7.572  15.220   2.671
  219   2HG1  VAL  25          2HG1      VAL  25  -6.251  16.383   2.573
  220   3HG1  VAL  25          3HG1      VAL  25  -6.124  14.994   3.652
  221   1HG2  VAL  25          1HG2      VAL  25  -4.481  14.011   3.134
  222   2HG2  VAL  25          2HG2      VAL  25  -3.871  13.726   1.504
  223   3HG2  VAL  25          3HG2      VAL  25  -5.066  12.632   2.203
  224    H    ALA  26           H        ALA  26  -6.449  15.296  -0.946
  225    HA   ALA  26           HA       ALA  26  -8.637  16.966  -1.111
  226   1HB   ALA  26          1HB       ALA  26  -6.985  17.373  -2.692
  227   2HB   ALA  26          2HB       ALA  26  -8.181  16.587  -3.722
  228   3HB   ALA  26          3HB       ALA  26  -6.813  15.666  -3.097
  229    H    GLU  27           H        GLU  27  -8.423  13.909  -2.963
  230    HA   GLU  27           HA       GLU  27 -11.410  13.823  -3.052
  231   1HB   GLU  27          2HB       GLU  27  -9.238  12.381  -4.617
  232   2HB   GLU  27          1HB       GLU  27 -10.970  12.218  -4.912
  233   1HG   GLU  27          2HG       GLU  27  -9.354  14.776  -5.130
  234   2HG   GLU  27          1HG       GLU  27 -10.016  13.844  -6.475
  235    H    GLN  28           H        GLN  28 -11.648  12.983  -0.880
  236    HA   GLN  28           HA       GLN  28 -10.431  11.076   0.586
  237   1HB   GLN  28          2HB       GLN  28 -13.311  11.560  -0.096
  238   2HB   GLN  28          1HB       GLN  28 -12.907  10.211   0.965
  239   1HG   GLN  28          2HG       GLN  28 -12.605  11.617   2.694
  240   2HG   GLN  28          1HG       GLN  28 -11.403  12.525   1.775
  241   1HE2  GLN  28          1HE2      GLN  28 -14.924  12.121   1.140
  242   2HE2  GLN  28          2HE2      GLN  28 -15.274  13.781   1.187
  243    H    THR  29           H        THR  29  -9.203   9.586  -0.724
  244    HA   THR  29           HA       THR  29 -10.818   7.266  -1.675
  245    HB   THR  29           HB       THR  29  -8.837   8.914  -3.261
  246    HG1  THR  29           1HG      THR  29 -10.657   9.620  -3.992
  247   1HG2  THR  29          1HG2      THR  29  -8.165   6.665  -3.683
  248   2HG2  THR  29          2HG2      THR  29  -9.210   7.111  -5.032
  249   3HG2  THR  29          3HG2      THR  29  -9.836   6.101  -3.729
  250    HA   PRO  30           HA       PRO  30  -7.117   5.956   0.679
  251   1HB   PRO  30          2HB       PRO  30  -8.412   4.055   2.154
  252   2HB   PRO  30          1HB       PRO  30  -8.365   5.767   2.618
  253   1HG   PRO  30          2HG       PRO  30 -10.556   4.204   1.381
  254   2HG   PRO  30          1HG       PRO  30 -10.631   5.554   2.520
  255   1HD   PRO  30          2HD       PRO  30 -11.089   5.733  -0.209
  256   2HD   PRO  30          1HD       PRO  30 -10.689   7.096   0.859
  257    H    SER  31           H        SER  31  -6.228   4.957  -1.236
  258    HA   SER  31           HA       SER  31  -7.378   2.360  -2.113
  259   1HB   SER  31          2HB       SER  31  -4.915   3.621  -3.261
  260   2HB   SER  31          1HB       SER  31  -6.222   2.778  -4.086
  261    HG   SER  31           HG       SER  31  -6.133   5.411  -3.074
  262    H    CYS  32           H        CYS  32  -6.296   0.399  -1.798
  263    HA   CYS  32           HA       CYS  32  -3.722   0.520  -0.254
  264   1HB   CYS  32          2HB       CYS  32  -4.594  -1.538   0.874
  265   2HB   CYS  32          1HB       CYS  32  -5.631  -0.134   1.131
  266    H    VAL  33           H        VAL  33  -2.074  -0.394  -1.406
  267    HA   VAL  33           HA       VAL  33  -2.745  -2.562  -3.374
  268    HB   VAL  33           HB       VAL  33  -0.738  -0.291  -3.429
  269   1HG1  VAL  33          1HG1      VAL  33   0.403  -2.195  -4.351
  270   2HG1  VAL  33          2HG1      VAL  33  -0.171  -1.238  -5.717
  271   3HG1  VAL  33          3HG1      VAL  33  -1.034  -2.701  -5.239
  272   1HG2  VAL  33          1HG2      VAL  33  -2.552   0.695  -4.382
  273   2HG2  VAL  33          2HG2      VAL  33  -3.373  -0.847  -4.623
  274   3HG2  VAL  33          3HG2      VAL  33  -2.163  -0.302  -5.784
  275    H    CYS  34           H        CYS  34  -1.381  -4.388  -3.341
  276    HA   CYS  34           HA       CYS  34   0.648  -4.452  -1.129
  277   1HB   CYS  34          2HB       CYS  34  -0.902  -6.733  -2.389
  278   2HB   CYS  34          1HB       CYS  34   0.041  -6.785  -0.900
  279    H    ASP  35           H        ASP  35   2.498  -5.968  -1.560
  280    HA   ASP  35           HA       ASP  35   3.999  -5.396  -3.825
  281   1HB   ASP  35          2HB       ASP  35   3.903  -7.421  -1.711
  282   2HB   ASP  35          1HB       ASP  35   4.665  -8.020  -3.185
  283    H    GLU  36           H        GLU  36   3.624  -5.787  -5.962
  284    HA   GLU  36           HA       GLU  36   1.522  -7.102  -7.164
  285   1HB   GLU  36          2HB       GLU  36   4.207  -6.225  -7.840
  286   2HB   GLU  36          1HB       GLU  36   3.767  -7.660  -8.766
  287   1HG   GLU  36          2HG       GLU  36   3.074  -5.615  -9.951
  288   2HG   GLU  36          1HG       GLU  36   1.667  -6.562  -9.468
  289    H    GLY  37           H        GLY  37   4.695  -8.639  -6.492
  290   1HA   GLY  37          2HA       GLY  37   3.516 -11.291  -7.035
  291   2HA   GLY  37          1HA       GLY  37   5.220 -10.962  -6.730
  292    H    TYR  38           H        TYR  38   2.259 -10.257  -4.841
  293    HA   TYR  38           HA       TYR  38   3.587 -11.630  -2.531
  294   1HB   TYR  38          2HB       TYR  38   2.888  -9.877  -1.199
  295   2HB   TYR  38          1HB       TYR  38   2.991  -9.021  -2.733
  296    HD1  TYR  38           HD1      TYR  38   0.989  -9.417   0.040
  297    HD2  TYR  38           HD2      TYR  38   0.707  -9.481  -4.248
  298    HE1  TYR  38           HE1      TYR  38  -1.431  -8.891   0.186
  299    HE2  TYR  38           HE2      TYR  38  -1.708  -8.953  -4.100
  300    HH   TYR  38           HH       TYR  38  -3.448  -9.126  -1.158
  301    H    ILE  39           H        ILE  39   1.877 -12.449  -0.892
  302    HA   ILE  39           HA       ILE  39  -0.683 -13.285  -2.143
  303    HB   ILE  39           HB       ILE  39   1.389 -15.219  -1.053
  304   1HG1  ILE  39          2HG1      ILE  39   0.558 -14.549  -3.894
  305   2HG1  ILE  39          1HG1      ILE  39   2.152 -14.309  -3.176
  306   1HG2  ILE  39          1HG2      ILE  39  -1.085 -15.867  -2.658
  307   2HG2  ILE  39          2HG2      ILE  39  -1.141 -15.741  -0.900
  308   3HG2  ILE  39          3HG2      ILE  39  -0.107 -16.947  -1.664
  309   1HD1  ILE  39          1HD1      ILE  39   2.303 -16.334  -4.439
  310   2HD1  ILE  39          2HD1      ILE  39   0.776 -16.932  -3.790
  311   3HD1  ILE  39          3HD1      ILE  39   2.195 -16.823  -2.748
  312    H    GLY  40           H        GLY  40  -2.181 -14.170  -0.521
  313   1HA   GLY  40          2HA       GLY  40  -2.645 -14.766   1.825
  314   2HA   GLY  40          1HA       GLY  40  -1.350 -13.669   2.305
  315    H    ALA  41           H        ALA  41  -4.327 -13.737   2.950
  316    HA   ALA  41           HA       ALA  41  -5.584 -11.475   1.681
  317   1HB   ALA  41          1HB       ALA  41  -7.284 -11.898   3.259
  318   2HB   ALA  41          2HB       ALA  41  -6.137 -12.447   4.481
  319   3HB   ALA  41          3HB       ALA  41  -6.504 -13.471   3.092
  320    H    ARG  42           H        ARG  42  -3.418 -11.812   4.447
  321    HA   ARG  42           HA       ARG  42  -3.760  -8.928   5.130
  322   1HB   ARG  42          2HB       ARG  42  -3.134 -11.413   6.495
  323   2HB   ARG  42          1HB       ARG  42  -1.908 -10.192   6.840
  324   1HG   ARG  42          2HG       ARG  42  -3.868 -10.155   8.428
  325   2HG   ARG  42          1HG       ARG  42  -3.587  -8.625   7.595
  326   1HD   ARG  42          2HD       ARG  42  -5.540  -8.770   6.401
  327   2HD   ARG  42          1HD       ARG  42  -5.407 -10.531   6.214
  328    HE   ARG  42           HE       ARG  42  -6.367 -10.806   8.410
  329   1HH1  ARG  42          1HH1      ARG  42  -5.088  -7.741   8.549
  330   2HH1  ARG  42          2HH1      ARG  42  -6.455  -6.996   9.307
  331   1HH2  ARG  42          1HH2      ARG  42  -8.511  -9.763   8.919
  332   2HH2  ARG  42          2HH2      ARG  42  -8.394  -8.141   9.518
  333    H    CYS  43           H        CYS  43  -2.052 -10.523   2.901
  334    HA   CYS  43           HA       CYS  43  -0.086  -9.975   1.705
  335   1HB   CYS  43          2HB       CYS  43   0.186  -7.663   3.632
  336   2HB   CYS  43          1HB       CYS  43   0.674  -7.733   1.941
  337    H    GLU  44           H        GLU  44   0.206 -11.918   3.680
  338    HA   GLU  44           HA       GLU  44   2.699 -11.155   5.154
  339   1HB   GLU  44          2HB       GLU  44   0.737 -11.990   6.430
  340   2HB   GLU  44          1HB       GLU  44   0.780 -13.483   5.491
  341   1HG   GLU  44          2HG       GLU  44   3.270 -13.611   6.285
  342   2HG   GLU  44          1HG       GLU  44   2.746 -12.484   7.537
  343    H    ARG  45           H        ARG  45   1.353 -13.439   2.812
  344    HA   ARG  45           HA       ARG  45   3.814 -15.056   2.729
  345   1HB   ARG  45          2HB       ARG  45   1.196 -14.982   1.207
  346   2HB   ARG  45          1HB       ARG  45   2.477 -16.136   0.834
  347   1HG   ARG  45          2HG       ARG  45   2.384 -17.056   3.075
  348   2HG   ARG  45          1HG       ARG  45   1.239 -15.812   3.581
  349   1HD   ARG  45          2HD       ARG  45  -0.423 -16.674   1.960
  350   2HD   ARG  45          1HD       ARG  45   0.722 -17.939   1.470
  351    HE   ARG  45           HE       ARG  45   0.659 -18.752   3.840
  352   1HH1  ARG  45          1HH2      ARG  45  -0.868 -16.058   4.508
  353   2HH1  ARG  45          2HH2      ARG  45  -2.413 -16.720   4.929
  354   1HH2  ARG  45          1HH1      ARG  45  -1.727 -19.852   3.607
  355   2HH2  ARG  45          2HH1      ARG  45  -2.900 -18.868   4.419
  356    H    VAL  46           H        VAL  46   5.110 -15.239   0.751
  357    HA   VAL  46           HA       VAL  46   4.917 -12.870  -1.074
  358    HB   VAL  46           HB       VAL  46   6.617 -12.472   0.633
  359   1HG1  VAL  46          1HG1      VAL  46   8.626 -14.175   0.509
  360   2HG1  VAL  46          2HG1      VAL  46   7.391 -15.281  -0.091
  361   3HG1  VAL  46          3HG1      VAL  46   7.220 -14.549   1.504
  362   1HG2  VAL  46          1HG2      VAL  46   7.065 -11.906  -1.811
  363   2HG2  VAL  46          2HG2      VAL  46   8.037 -13.376  -1.885
  364   3HG2  VAL  46          3HG2      VAL  46   8.500 -12.065  -0.799
  365    H    ASP  47           H        ASP  47   5.785 -13.270  -3.208
  366    HA   ASP  47           HA       ASP  47   6.353 -16.143  -3.841
  367   1HB   ASP  47          2HB       ASP  47   3.963 -15.251  -4.268
  368   2HB   ASP  47          1HB       ASP  47   4.689 -14.296  -5.562
  369    H    LEU  48           H        LEU  48   8.609 -15.023  -3.719
  370    HA   LEU  48           HA       LEU  48   9.257 -13.923  -6.432
  371   1HB   LEU  48          2HB       LEU  48   9.406 -12.692  -3.846
  372   2HB   LEU  48          1HB       LEU  48  11.048 -12.906  -4.454
  373    HG   LEU  48           HG       LEU  48   8.770 -11.596  -5.968
  374   1HD1  LEU  48          1HD1      LEU  48  10.289 -10.529  -3.926
  375   2HD1  LEU  48          2HD1      LEU  48   9.507  -9.593  -5.199
  376   3HD1  LEU  48          3HD1      LEU  48  11.201 -10.058  -5.359
  377   1HD2  LEU  48          1HD2      LEU  48  10.230 -12.643  -7.548
  378   2HD2  LEU  48          2HD2      LEU  48  11.666 -12.164  -6.643
  379   3HD2  LEU  48          3HD2      LEU  48  10.716 -10.949  -7.498
  380    H    PHE  49           H        PHE  49   9.482 -16.686  -5.405
  381    HA   PHE  49           HA       PHE  49  12.343 -17.108  -4.838
  382   1HB   PHE  49          2HB       PHE  49   9.841 -18.469  -4.535
  383   2HB   PHE  49          1HB       PHE  49  10.919 -19.505  -5.470
  384    HD1  PHE  49           HD1      PHE  49  12.637 -20.712  -4.408
  385    HD2  PHE  49           HD2      PHE  49  10.780 -17.419  -2.369
  386    HE1  PHE  49           HE1      PHE  49  13.880 -21.291  -2.341
  387    HE2  PHE  49           HE2      PHE  49  12.023 -17.998  -0.303
  388    HZ   PHE  49           HZ       PHE  49  13.572 -19.934  -0.289
  389    H    TYR  50           H        TYR  50  10.269 -16.972  -7.612
  390    HA   TYR  50           HA       TYR  50  11.831 -18.692  -9.356
  391   1HB   TYR  50          2HB       TYR  50   9.423 -18.102  -9.632
  392   2HB   TYR  50          1HB       TYR  50   9.894 -16.433  -9.956
  393    HD1  TYR  50           HD1      TYR  50  10.217 -19.933 -11.179
  394    HD2  TYR  50           HD2      TYR  50  10.703 -15.765 -12.095
  395    HE1  TYR  50           HE1      TYR  50  10.605 -20.503 -13.561
  396    HE2  TYR  50           HE2      TYR  50  11.092 -16.335 -14.478
  397    HH   TYR  50           HH       TYR  50  10.256 -19.056 -15.876