*HEADER   EXTRACELLULAR MATRIX                    04-MAR-97   1KUN    
*TITLE    SOLUTION STRUCTURE OF THE HUMAN ALPHA3-CHAIN TYPE VI        
*TITLE   2 COLLAGEN C-TERMINAL KUNITZ DOMAIN, NMR, 20 STRUCTURES      
*COMPND   MOL_ID: 1;                                                  
*COMPND  2 MOLECULE: ALPHA3-CHAIN TYPE VI COLLAGEN;                   
*COMPND  3 CHAIN: NULL;                                               
*COMPND  4 FRAGMENT: C-TERMINAL KUNITZ DOMAIN;                        
*COMPND  5 ENGINEERED: YES                                            
*SOURCE   MOL_ID: 1;                                                  
*SOURCE  2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                         
*SOURCE  3 ORGANISM_COMMON: HUMAN;                                    
*SOURCE  4 EXPRESSION_SYSTEM: SACCHAROMYCES CEREVISIAE;               
*SOURCE  5 EXPRESSION_SYSTEM_STRAIN: MT-663                           
*KEYWDS   COLLAGEN TYPE VI FRAGMENT, KUNITZ-TYPE DOMAIN,              
*KEYWDS  2 EXTRACELLULAR MATRIX, CONNECTIVE TISSUE                    
*EXPDTA   NMR, 20 STRUCTURES                                          
*AUTHOR   M.D.SORENSEN,S.BJORN,K.NORRIS,O.OLSEN,L.PETERSEN,           
*AUTHOR  2 T.L.JAMES,J.J.LED                                          
*REVDAT  1   12-NOV-97 1KUN    0                                      
 

REMARK CONSTRAINTS USED IN THE STRUCTURE CALCULATIONS OF THE HUMAN
REMARK ALPHA3-CHAIN TYPE VI COLLAGEN C-TERMINAL KUNITZ DOMAIN

assign (resid  1 AND name HA  )(resid  2 AND name HN  )  2.43  0.63  0.00
assign (resid  1 AND name HB* )(resid  2 AND name HN  )  3.70  0.00  9.99
assign (resid  1 AND name HG* )(resid  2 AND name HN  )  6.03  0.75  0.75
assign (resid  2 AND name HN  )(resid  2 AND name HG2*)  3.41  0.00  9.99
assign (resid  2 AND name HA  )(resid  2 AND name HG2*)  2.92  0.00  9.99
assign (resid  2 AND name HA  )(resid  3 AND name HN  )  2.35  0.11  0.11
assign (resid  2 AND name HG2*)(resid  3 AND name HN  )  4.25  0.82  0.82
assign (resid  2 AND name HA  )(resid  4 AND name HN  )  4.97  1.44  1.44
assign (resid  3 AND name HN  )(resid  3 AND name HB* )  2.38  0.00  9.99
assign (resid  3 AND name HN  )(resid  4 AND name HN  )  3.25  0.25  0.25
assign (resid  3 AND name HA  )(resid  4 AND name HN  )  3.25  1.45  0.00
assign (resid  3 AND name HN  )(resid  5 AND name HN  )  4.45  0.90  0.90
assign (resid  4 AND name HN  )(resid  4 AND name HA  )  2.72  0.92  0.00
assign (resid  4 AND name HN  )(resid  4 AND name HB  )  2.62  0.00  9.99
assign (resid  4 AND name HN  )(resid  4 AND name HG1*)  3.59  1.43  1.43
assign (resid  4 AND name HN  )(resid  4 AND name HG2*)  2.89  0.22  0.22
assign (resid  4 AND name HA  )(resid  4 AND name HB  )  2.36  0.56  0.00
assign (resid  4 AND name HN  )(resid  5 AND name HN  )  2.62  0.15  0.15
assign (resid  4 AND name HA  )(resid  5 AND name HN  )  2.81  0.51  0.51
assign (resid  4 AND name HB  )(resid  5 AND name HN  )  4.82  2.01  2.01
assign (resid  4 AND name HG1*)(resid  5 AND name HN  )  2.97  1.17  1.17
assign (resid  4 AND name HG2*)(resid  5 AND name HN  )  5.00  1.98  1.98
assign (resid  4 AND name HN  )(resid  6 AND name HN  )  5.03  1.95  1.95
assign (resid  4 AND name HA  )(resid  6 AND name HN  )  4.91  1.92  1.92
assign (resid  4 AND name HA  )(resid  7 AND name HN  )  4.55  2.30  2.30
assign (resid  4 AND name HA  )(resid  7 AND name HG  )  2.32  0.52  0.00
assign (resid  4 AND name HA  )(resid  7 AND name HD* )  4.24  2.45  2.45
assign (resid  4 AND name HA  )(resid 42 AND name HB1 )  4.63  2.30  2.30
assign (resid  4 AND name HB  )(resid 42 AND name HB1 )  4.01  1.57  1.57
assign (resid  4 AND name HD1*)(resid 42 AND name HA  )  5.67  2.23  2.23
assign (resid  4 AND name HD1*)(resid 42 AND name HB1 )  4.78  2.63  2.63
assign (resid  4 AND name HD1*)(resid 42 AND name HB2 )  5.01  2.84  2.84
assign (resid  4 AND name HD1*)(resid 42 AND name HG* )  5.68  1.92  1.92
assign (resid  4 AND name HG1*)(resid 45 AND name HZ  )  4.86  2.95  2.95
assign (resid  4 AND name HD1*)(resid 45 AND name HZ  )  3.19  0.52  0.52
assign (resid  5 AND name HN  )(resid  5 AND name HA  )  2.58  0.36  0.36
assign (resid  5 AND name HN  )(resid  5 AND name HB1 )  2.78  0.00  9.99
assign (resid  5 AND name HN  )(resid  5 AND name HB2 )  2.41  0.61  0.00
assign (resid  5 AND name HA  )(resid  5 AND name HB1 )  2.64  0.84  0.00
assign (resid  5 AND name HA  )(resid  5 AND name HB2 )  2.29  0.00  9.99
assign (resid  5 AND name HN  )(resid  6 AND name HN  )  2.49  0.23  0.23
assign (resid  5 AND name HA  )(resid  6 AND name HN  )  2.91  0.00  9.99
assign (resid  5 AND name HB2 )(resid  6 AND name HN  )  4.74  1.71  1.71
assign (resid  5 AND name HA  )(resid  7 AND name HN  )  4.74  2.11  2.11
assign (resid  5 AND name HA  )(resid 23 AND name HB1 )  4.52  2.13  2.13
assign (resid  5 AND name HB1 )(resid 23 AND name HE* )  4.52  1.78  1.78
assign (resid  6 AND name HN  )(resid  6 AND name HA  )  2.38  0.00  9.99
assign (resid  6 AND name HN  )(resid  6 AND name HG* )  3.15  0.61  0.61
assign (resid  6 AND name HA  )(resid  6 AND name HB* )  2.67  0.87  0.00
assign (resid  6 AND name HA  )(resid  6 AND name HG* )  2.63  0.00  9.99
assign (resid  6 AND name HG* )(resid  6 AND name HE* )  3.35  0.00  9.99
assign (resid  6 AND name HN  )(resid  7 AND name HN  )  2.32  0.27  0.27
assign (resid  7 AND name HN  )(resid  7 AND name HA  )  2.76  0.96  0.00
assign (resid  7 AND name HN  )(resid  7 AND name HB1 )  2.34  0.00  9.99
assign (resid  7 AND name HN  )(resid  7 AND name HB2 )  3.52  1.72  0.00
assign (resid  7 AND name HN  )(resid  7 AND name HG  )  2.43  0.63  0.00
assign (resid  7 AND name HN  )(resid  7 AND name HD* )  4.64  2.85  2.85
assign (resid  7 AND name HA  )(resid  7 AND name HD* )  3.97  2.17  0.00
assign (resid  7 AND name HB1 )(resid  8 AND name HD* )  4.32  2.52  2.52
assign (resid  7 AND name HD* )(resid  8 AND name HD* )  5.24  3.44  3.44
assign (resid  7 AND name HA  )(resid 41 AND name HD2*)  4.51  2.38  2.38
assign (resid  7 AND name HB1 )(resid 41 AND name HD2*)  4.43  2.48  2.48
assign (resid  7 AND name HB2 )(resid 41 AND name HD2*)  4.76  2.96  2.96
assign (resid  7 AND name HD* )(resid 41 AND name HA  )  5.93  1.93  1.93
assign (resid  7 AND name HD* )(resid 41 AND name HB1 )  4.30  2.51  2.51
assign (resid  7 AND name HD* )(resid 41 AND name HB2 )  3.38  1.58  1.58
assign (resid  7 AND name HD* )(resid 42 AND name HN  )  5.41  2.55  2.55
assign (resid  7 AND name HN  )(resid 43 AND name HB1 )  4.63  2.20  2.20
assign (resid  7 AND name HN  )(resid 43 AND name HB2 )  4.84  1.86  1.86
assign (resid  7 AND name HN  )(resid 43 AND name HD2*)  4.48  2.01  2.01
assign (resid  7 AND name HB1 )(resid 43 AND name HB1 )  6.40  4.60  0.00
assign (resid  7 AND name HB1 )(resid 43 AND name HB2 )  4.46  2.31  2.31
assign (resid  7 AND name HB2 )(resid 43 AND name HB2 )  5.13  3.33  0.00
assign (resid  7 AND name HB2 )(resid 43 AND name HN  )  4.72  2.27  2.27
assign (resid  7 AND name HB2 )(resid 43 AND name HB1 )  4.51  2.48  2.48
assign (resid  7 AND name HG  )(resid 43 AND name HN  )  5.07  1.79  1.79
assign (resid  7 AND name HG  )(resid 43 AND name HB2 )  3.89  1.82  1.82
assign (resid  7 AND name HD* )(resid 43 AND name HN  )  4.70  2.90  2.90
assign (resid  8 AND name HA  )(resid  9 AND name HN  )  2.36  0.56  0.00
assign (resid  8 AND name HA  )(resid 22 AND name HD* )  5.68  1.27  1.27
assign (resid  8 AND name HG* )(resid 41 AND name HD2*)  4.54  2.35  2.35
assign (resid  8 AND name HD* )(resid 41 AND name HD2*)  4.49  2.41  2.41
assign (resid  9 AND name HN  )(resid  9 AND name HA  )  2.32  0.00  9.99
assign (resid  9 AND name HN  )(resid  9 AND name HB* )  2.52  0.00  9.99
assign (resid  9 AND name HN  )(resid  9 AND name HG* )  4.09  1.84  1.84
assign (resid  9 AND name HA  )(resid  9 AND name HB* )  2.43  0.00  9.99
assign (resid  9 AND name HA  )(resid  9 AND name HG* )  2.31  0.00  9.99
assign (resid  9 AND name HA  )(resid 10 AND name HN  )  2.37  0.16  0.16
assign (resid  9 AND name HA  )(resid 10 AND name HA  )  5.14  1.75  1.75
assign (resid  9 AND name HB* )(resid 10 AND name HA  )  3.91  1.70  1.70
assign (resid  9 AND name HN  )(resid 22 AND name HE* )  4.37  0.97  0.97
assign (resid  9 AND name HA  )(resid 22 AND name HD* )  4.91  1.40  1.40
assign (resid  9 AND name HA  )(resid 22 AND name HE* )  5.56  1.43  1.43
assign (resid  9 AND name HB* )(resid 22 AND name HB* )  4.56  2.76  2.76
assign (resid  9 AND name HB* )(resid 22 AND name HD* )  4.42  2.53  2.53
assign (resid  9 AND name HB* )(resid 22 AND name HE* )  4.58  2.39  2.39
assign (resid  9 AND name HG* )(resid 22 AND name HB* )  4.60  2.80  2.80
assign (resid  9 AND name HG* )(resid 22 AND name HE* )  4.91  2.07  2.07
assign (resid  9 AND name HD* )(resid 22 AND name HD* )  4.82  2.82  2.82
assign (resid  9 AND name HD* )(resid 22 AND name HE* )  4.43  2.54  2.54
assign (resid  9 AND name HB* )(resid 33 AND name HD* )  4.80  2.18  2.18
assign (resid  9 AND name HG* )(resid 33 AND name HD* )  4.45  2.65  2.65
assign (resid  9 AND name HD* )(resid 33 AND name HB* )  4.82  3.02  3.02
assign (resid  9 AND name HD* )(resid 33 AND name HD* )  4.55  2.41  2.41
assign (resid 10 AND name HN  )(resid 10 AND name HB* )  2.37  0.00  9.99
assign (resid 10 AND name HA  )(resid 11 AND name HN  )  2.45  0.15  0.15
assign (resid 10 AND name HB* )(resid 11 AND name HN  )  2.50  0.00  9.99
assign (resid 10 AND name HA  )(resid 12 AND name HN  )  5.11  1.83  1.83
assign (resid 10 AND name HB* )(resid 40 AND name HA* )  4.10  2.30  2.30
assign (resid 10 AND name HB* )(resid 41 AND name HD2*)  4.39  2.44  2.44
assign (resid 11 AND name HN  )(resid 11 AND name HB* )  3.22  0.27  0.27
assign (resid 11 AND name HN  )(resid 11 AND name HG* )  3.34  1.30  1.30
assign (resid 11 AND name HA  )(resid 11 AND name HB* )  2.67  0.00  9.99
assign (resid 11 AND name HN  )(resid 12 AND name HN  )  3.05  0.25  0.25
assign (resid 11 AND name HB* )(resid 12 AND name HN  )  3.50  0.39  0.39
assign (resid 11 AND name HB* )(resid 17 AND name HE* )  5.16  0.85  0.85
assign (resid 11 AND name HA  )(resid 33 AND name HE* )  5.37  0.71  0.71
assign (resid 11 AND name HA  )(resid 35 AND name HD* )  3.96  1.10  1.10
assign (resid 11 AND name HB* )(resid 33 AND name HD* )  6.53  0.00  9.99
assign (resid 12 AND name HN  )(resid 12 AND name HA* )  2.47  0.00  9.99
assign (resid 15 AND name HN  )(resid 15 AND name HA  )  2.58  0.00  9.99
assign (resid 15 AND name HN  )(resid 15 AND name HG* )  3.95  1.88  1.88
assign (resid 15 AND name HA  )(resid 15 AND name HD* )  4.05  1.84  1.84
assign (resid 15 AND name HN  )(resid 16 AND name HN  )  2.87  0.33  0.33
assign (resid 15 AND name HA  )(resid 16 AND name HN  )  2.25  0.00  9.99
assign (resid 15 AND name HG* )(resid 16 AND name HN  )  4.41  2.26  2.26
assign (resid 15 AND name HA  )(resid 17 AND name HN  )  3.90  1.04  1.04
assign (resid 15 AND name HA  )(resid 17 AND name HD* )  4.75  1.95  1.95
assign (resid 15 AND name HA  )(resid 17 AND name HZ  )  4.09  1.18  1.18
assign (resid 15 AND name HA  )(resid 17 AND name HE* )  4.94  3.14  0.00
assign (resid 15 AND name HB* )(resid 17 AND name HE* )  4.33  2.53  2.53
assign (resid 15 AND name HG* )(resid 17 AND name HD* )  5.03  2.77  2.77
assign (resid 16 AND name HN  )(resid 16 AND name HA  )  2.85  0.00  9.99
assign (resid 16 AND name HN  )(resid 17 AND name HN  )  3.44  0.91  0.91
assign (resid 16 AND name HA  )(resid 17 AND name HN  )  2.55  0.27  0.27
assign (resid 17 AND name HN  )(resid 17 AND name HB1 )  2.55  0.00  9.99
assign (resid 17 AND name HN  )(resid 17 AND name HB2 )  2.84  1.04  0.00
assign (resid 17 AND name HA  )(resid 17 AND name HB1 )  2.50  0.70  0.00
assign (resid 17 AND name HA  )(resid 17 AND name HB2 )  2.82  0.00  9.99
assign (resid 17 AND name HN  )(resid 18 AND name HN  )  4.41  1.02  1.02
assign (resid 17 AND name HA  )(resid 18 AND name HN  )  3.30  1.50  0.00
assign (resid 17 AND name HB1 )(resid 18 AND name HN  )  3.98  1.23  1.23
assign (resid 17 AND name HD* )(resid 18 AND name HN  )  3.86  1.04  1.04
assign (resid 17 AND name HB2 )(resid 34 AND name HE3 )  3.37  0.25  0.25
assign (resid 17 AND name HA  )(resid 36 AND name HA* )  3.88  1.88  1.88
assign (resid 17 AND name HD* )(resid 36 AND name HA* )  4.07  1.61  1.61
assign (resid 18 AND name HN  )(resid 18 AND name HB  )  2.99  0.00  9.99
assign (resid 18 AND name HN  )(resid 18 AND name HG1*)  4.16  1.42  1.42
assign (resid 18 AND name HN  )(resid 18 AND name HG2*)  3.88  0.62  0.62
assign (resid 18 AND name HA  )(resid 18 AND name HB  )  2.39  0.00  9.99
assign (resid 18 AND name HA  )(resid 18 AND name HD1*)  3.80  0.67  0.67
assign (resid 18 AND name HN  )(resid 19 AND name HN  )  5.00  1.31  1.31
assign (resid 18 AND name HA  )(resid 19 AND name HN  )  3.46  1.66  0.00
assign (resid 18 AND name HB  )(resid 19 AND name HN  )  3.61  0.64  0.64
assign (resid 18 AND name HG1*)(resid 19 AND name HN  )  4.70  2.04  2.04
assign (resid 18 AND name HG1*)(resid 19 AND name HA  )  3.85  1.84  1.84
assign (resid 18 AND name HD1*)(resid 20 AND name HE* )  5.57  1.98  1.98
assign (resid 18 AND name HN  )(resid 34 AND name HA  )  5.35  1.47  1.47
assign (resid 18 AND name HN  )(resid 34 AND name HE3 )  3.58  0.48  0.48
assign (resid 18 AND name HA  )(resid 34 AND name HE3 )  2.99  0.22  0.22
assign (resid 18 AND name HN  )(resid 35 AND name HN  )  3.93  0.75  0.75
assign (resid 18 AND name HG2*)(resid 35 AND name HN  )  5.72  1.76  1.76
assign (resid 18 AND name HG2*)(resid 35 AND name HD* )  5.53  2.08  2.08
assign (resid 18 AND name HG2*)(resid 35 AND name HE* )  5.54  1.73  1.73
assign (resid 18 AND name HD1*)(resid 35 AND name HD* )  5.39  2.09  2.09
assign (resid 18 AND name HD1*)(resid 35 AND name HE* )  6.93  2.54  2.54
assign (resid 19 AND name HN  )(resid 19 AND name HA  )  2.81  0.00  9.99
assign (resid 19 AND name HN  )(resid 19 AND name HB* )  3.04  0.72  0.72
assign (resid 19 AND name HN  )(resid 19 AND name HG  )  3.60  0.40  0.40
assign (resid 19 AND name HN  )(resid 19 AND name HD* )  5.89  1.50  1.50
assign (resid 19 AND name HA  )(resid 19 AND name HG  )  3.03  0.00  9.99
assign (resid 19 AND name HA  )(resid 19 AND name HD* )  3.13  0.00  9.99
assign (resid 19 AND name HB* )(resid 19 AND name HG  )  2.42  0.00  9.99
assign (resid 19 AND name HB* )(resid 19 AND name HD* )  2.87  0.00  9.99
assign (resid 19 AND name HA  )(resid 20 AND name HN  )  2.18  0.38  0.00
assign (resid 19 AND name HB* )(resid 20 AND name HN  )  4.13  1.43  1.43
assign (resid 19 AND name HG  )(resid 20 AND name HN  )  4.91  1.73  1.73
assign (resid 19 AND name HD* )(resid 20 AND name HN  )  5.78  2.16  2.16
assign (resid 19 AND name HD* )(resid 21 AND name HA  )  6.32  3.23  3.23
assign (resid 19 AND name HD* )(resid 21 AND name HE1 )  5.80  2.17  2.17
assign (resid 19 AND name HD* )(resid 32 AND name HA  )  6.41  3.03  3.03
assign (resid 19 AND name HD* )(resid 32 AND name HB1 )  4.22  2.42  2.42
assign (resid 19 AND name HD* )(resid 32 AND name HD* )  4.82  2.78  2.78
assign (resid 19 AND name HD* )(resid 32 AND name HE  )  5.97  1.91  1.91
assign (resid 19 AND name HB* )(resid 33 AND name HN  )  4.52  2.43  2.43
assign (resid 19 AND name HD* )(resid 33 AND name HN  )  5.72  2.16  2.16
assign (resid 19 AND name HN  )(resid 34 AND name HE3 )  4.23  1.00  1.00
assign (resid 19 AND name HN  )(resid 34 AND name HZ3 )  3.34  0.40  0.40
assign (resid 19 AND name HA  )(resid 34 AND name HA  )  2.87  0.47  0.47
assign (resid 19 AND name HA  )(resid 34 AND name HE3 )  2.98  0.38  0.38
assign (resid 19 AND name HA  )(resid 34 AND name HZ3 )  5.43  1.49  1.49
assign (resid 19 AND name HG  )(resid 34 AND name HZ2 )  5.53  1.46  1.46
assign (resid 19 AND name HD* )(resid 34 AND name HA  )  5.77  1.97  1.97
assign (resid 19 AND name HD* )(resid 34 AND name HE1 )  5.95  1.91  1.91
assign (resid 19 AND name HD* )(resid 34 AND name HZ3 )  5.53  2.94  2.94
assign (resid 19 AND name HD* )(resid 34 AND name HZ2 )  5.77  2.16  2.16
assign (resid 19 AND name HA  )(resid 35 AND name HN  )  4.81  2.05  2.05
assign (resid 20 AND name HN  )(resid 20 AND name HG* )  4.31  2.51  2.51
assign (resid 20 AND name HA  )(resid 20 AND name HG* )  2.30  0.00  9.99
assign (resid 20 AND name HA  )(resid 20 AND name HD* )  4.33  2.53  2.53
assign (resid 20 AND name HB* )(resid 20 AND name HE* )  4.09  2.29  2.29
assign (resid 20 AND name HN  )(resid 21 AND name HN  )  4.70  1.44  1.44
assign (resid 20 AND name HA  )(resid 21 AND name HN  )  2.65  0.00  9.99
assign (resid 20 AND name HA  )(resid 21 AND name HA  )  5.43  1.38  1.38
assign (resid 20 AND name HA  )(resid 21 AND name HD1 )  3.08  0.67  0.67
assign (resid 20 AND name HB* )(resid 21 AND name HN  )  6.99  5.19  0.00
assign (resid 20 AND name HG* )(resid 21 AND name HN  )  3.88  1.18  1.18
assign (resid 20 AND name HN  )(resid 32 AND name HA  )  4.51  1.55  1.55
assign (resid 20 AND name HN  )(resid 33 AND name HN  )  2.56  0.31  0.31
assign (resid 20 AND name HN  )(resid 33 AND name HD* )  5.07  1.49  1.49
assign (resid 20 AND name HB* )(resid 33 AND name HD* )  4.64  2.12  2.12
assign (resid 20 AND name HN  )(resid 34 AND name HA  )  5.11  1.84  1.84
assign (resid 20 AND name HN  )(resid 34 AND name HE3 )  5.14  1.56  1.56
assign (resid 20 AND name HN  )(resid 35 AND name HN  )  4.85  1.86  1.86
assign (resid 20 AND name HG* )(resid 35 AND name HN  )  5.20  2.67  2.67
assign (resid 20 AND name HG* )(resid 35 AND name HD* )  4.39  1.69  1.69
assign (resid 20 AND name HD* )(resid 35 AND name HE* )  4.20  2.41  2.41
assign (resid 20 AND name HB* )(resid 44 AND name HA  )  3.78  1.88  1.88
assign (resid 20 AND name HG* )(resid 44 AND name HD* )  4.70  2.90  2.90
assign (resid 20 AND name HB* )(resid 45 AND name HN  )  4.74  2.94  2.94
assign (resid 20 AND name HA  )(resid 46 AND name HA* )  4.62  1.23  1.23
assign (resid 20 AND name HD* )(resid 46 AND name HA* )  4.18  2.38  2.38
assign (resid 21 AND name HN  )(resid 21 AND name HA  )  2.24  0.00  9.99
assign (resid 21 AND name HN  )(resid 21 AND name HB1 )  2.84  0.00  9.99
assign (resid 21 AND name HN  )(resid 21 AND name HB2 )  2.65  0.85  0.00
assign (resid 21 AND name HN  )(resid 21 AND name HD1 )  2.66  0.23  0.23
assign (resid 21 AND name HN  )(resid 21 AND name HE1 )  4.93  0.88  0.88
assign (resid 21 AND name HA  )(resid 21 AND name HB1 )  2.65  0.85  0.00
assign (resid 21 AND name HA  )(resid 21 AND name HD1 )  4.16  1.33  1.33
assign (resid 21 AND name HA  )(resid 21 AND name HE3 )  3.18  0.42  0.42
assign (resid 21 AND name HB1 )(resid 21 AND name HD1 )  2.99  0.00  9.99
assign (resid 21 AND name HB2 )(resid 21 AND name HD1 )  3.32  1.52  0.00
assign (resid 21 AND name HB2 )(resid 21 AND name HE3 )  2.43  0.00  9.99
assign (resid 21 AND name HN  )(resid 22 AND name HN  )  5.19  1.58  1.58
assign (resid 21 AND name HA  )(resid 22 AND name HN  )  2.26  0.46  0.00
assign (resid 21 AND name HA  )(resid 22 AND name HA  )  5.29  1.39  1.39
assign (resid 21 AND name HA  )(resid 22 AND name HD* )  5.36  1.59  1.59
assign (resid 21 AND name HB1 )(resid 22 AND name HN  )  3.26  0.80  0.80
assign (resid 21 AND name HE3 )(resid 22 AND name HN  )  5.11  1.82  1.82
assign (resid 21 AND name HE3 )(resid 30 AND name HA  )  4.31  1.42  1.42
assign (resid 21 AND name HE3 )(resid 30 AND name HB2 )  2.82  0.66  0.66
assign (resid 21 AND name HZ3 )(resid 30 AND name HA  )  5.07  1.91  1.91
assign (resid 21 AND name HZ3 )(resid 30 AND name HB2 )  6.95  5.15  0.00
assign (resid 21 AND name HA  )(resid 31 AND name HN  )  5.06  1.90  1.90
assign (resid 21 AND name HA  )(resid 31 AND name HA  )  5.59  1.40  1.40
assign (resid 21 AND name HA  )(resid 31 AND name HB* )  6.16  1.79  1.79
assign (resid 21 AND name HE3 )(resid 31 AND name HN  )  3.19  0.58  0.58
assign (resid 21 AND name HE3 )(resid 31 AND name HA  )  4.41  1.74  1.74
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assign (resid 45 AND name HN  )(resid 46 AND name HN  )  5.27  1.55  1.55
assign (resid 45 AND name HA  )(resid 46 AND name HN  )  2.31  0.51  0.00
assign (resid 45 AND name HB1 )(resid 46 AND name HN  )  2.70  0.29  0.29
assign (resid 45 AND name HB2 )(resid 46 AND name HN  )  4.82  2.10  2.10
assign (resid 45 AND name HD* )(resid 46 AND name HN  )  5.19  1.76  1.76
assign (resid 45 AND name HA  )(resid 47 AND name HN  )  4.95  1.82  1.82
assign (resid 45 AND name HB1 )(resid 47 AND name HN  )  2.75  0.25  0.25
assign (resid 45 AND name HD* )(resid 50 AND name HG* )  5.05  1.61  1.61
assign (resid 45 AND name HE* )(resid 50 AND name HG* )  6.12  1.75  1.75
assign (resid 45 AND name HB1 )(resid 51 AND name HN  )  4.28  1.89  1.89
assign (resid 45 AND name HB2 )(resid 51 AND name HN  )  4.48  2.17  2.17
assign (resid 45 AND name HD* )(resid 51 AND name HA  )  3.08  1.28  0.00
assign (resid 45 AND name HD* )(resid 51 AND name HB* )  4.77  2.64  2.64
assign (resid 45 AND name HE* )(resid 51 AND name HA  )  4.57  2.03  2.03
assign (resid 45 AND name HZ  )(resid 51 AND name HA  )  3.68  0.48  0.48
assign (resid 45 AND name HA  )(resid 54 AND name HG* )  6.10  3.26  3.26
assign (resid 45 AND name HE* )(resid 54 AND name HB  )  3.32  1.52  0.00
assign (resid 45 AND name HE* )(resid 54 AND name HG* )  4.68  2.01  2.01
assign (resid 45 AND name HZ  )(resid 54 AND name HG* )  3.20  0.38  0.38
assign (resid 46 AND name HN  )(resid 47 AND name HN  )  2.65  0.17  0.17
assign (resid 46 AND name HA* )(resid 47 AND name HN  )  2.53  0.00  9.99
assign (resid 46 AND name HN  )(resid 50 AND name HB* )  4.11  0.84  0.84
assign (resid 47 AND name HN  )(resid 47 AND name HA  )  2.58  0.00  9.99
assign (resid 47 AND name HN  )(resid 47 AND name HB* )  3.31  0.00  9.99
assign (resid 47 AND name HA  )(resid 47 AND name HB* )  2.56  0.76  0.00
assign (resid 47 AND name HA  )(resid 48 AND name HN  )  2.43  0.63  0.00
assign (resid 47 AND name HA  )(resid 48 AND name HB2 )  5.11  1.87  1.87
assign (resid 47 AND name HB* )(resid 48 AND name HN  )  3.10  0.38  0.38
assign (resid 47 AND name HB* )(resid 49 AND name HN  )  3.41  0.49  0.49
assign (resid 47 AND name HB* )(resid 49 AND name HB* )  4.62  2.29  2.29
assign (resid 47 AND name HN  )(resid 50 AND name HB* )  2.87  0.32  0.32
assign (resid 48 AND name HN  )(resid 48 AND name HA  )  2.32  0.00  9.99
assign (resid 48 AND name HN  )(resid 48 AND name HB1 )  2.70  0.50  0.50
assign (resid 48 AND name HN  )(resid 48 AND name HB2 )  2.57  0.35  0.35
assign (resid 48 AND name HN  )(resid 48 AND name HG* )  4.34  1.57  1.57
assign (resid 48 AND name HA  )(resid 48 AND name HB1 )  2.29  0.00  9.99
assign (resid 48 AND name HA  )(resid 48 AND name HB2 )  2.82  1.02  0.00
assign (resid 48 AND name HN  )(resid 49 AND name HN  )  2.57  0.30  0.30
assign (resid 48 AND name HA  )(resid 49 AND name HN  )  2.74  0.00  9.99
assign (resid 48 AND name HB1 )(resid 49 AND name HN  )  2.53  0.52  0.52
assign (resid 48 AND name HB2 )(resid 49 AND name HN  )  4.60  2.12  2.12
assign (resid 48 AND name HB2 )(resid 49 AND name HA  )  5.27  1.37  1.37
assign (resid 48 AND name HA  )(resid 51 AND name HN  )  4.66  2.22  2.22
assign (resid 48 AND name HA  )(resid 51 AND name HB* )  4.16  2.36  2.36
assign (resid 48 AND name HG* )(resid 52 AND name HB* )  3.42  1.62  1.62
assign (resid 49 AND name HN  )(resid 49 AND name HA  )  2.76  0.96  0.00
assign (resid 49 AND name HN  )(resid 49 AND name HG* )  3.37  1.31  1.31
assign (resid 49 AND name HA  )(resid 49 AND name HB* )  2.29  0.00  9.99
assign (resid 49 AND name HN  )(resid 50 AND name HN  )  2.56  0.51  0.51
assign (resid 49 AND name HA  )(resid 50 AND name HN  )  2.83  0.00  9.99
assign (resid 49 AND name HB* )(resid 50 AND name HN  )  5.84  4.04  0.00
assign (resid 49 AND name HN  )(resid 51 AND name HN  )  5.16  1.69  1.69
assign (resid 49 AND name HA  )(resid 52 AND name HN  )  2.78  0.45  0.45
assign (resid 49 AND name HA  )(resid 52 AND name HG* )  5.02  1.81  1.81
assign (resid 49 AND name HA  )(resid 53 AND name HN  )  3.54  0.56  0.56
assign (resid 50 AND name HN  )(resid 50 AND name HA  )  2.71  0.91  0.00
assign (resid 50 AND name HN  )(resid 50 AND name HB* )  2.69  0.89  0.00
assign (resid 50 AND name HN  )(resid 50 AND name HG* )  3.90  1.88  1.88
assign (resid 50 AND name HA  )(resid 50 AND name HB* )  2.46  0.66  0.00
assign (resid 50 AND name HA  )(resid 50 AND name HG* )  2.32  0.00  9.99
assign (resid 50 AND name HN  )(resid 51 AND name HN  )  2.95  1.15  0.00
assign (resid 50 AND name HA  )(resid 51 AND name HN  )  2.44  0.00  9.99
assign (resid 50 AND name HB* )(resid 51 AND name HN  )  2.52  0.29  0.29
assign (resid 50 AND name HN  )(resid 52 AND name HN  )  4.51  2.41  2.41
assign (resid 50 AND name HN  )(resid 53 AND name HB* )  4.74  2.94  2.94
assign (resid 50 AND name HA  )(resid 53 AND name HN  )  4.30  1.54  1.54
assign (resid 50 AND name HA  )(resid 53 AND name HB* )  2.67  0.87  0.87
assign (resid 50 AND name HG* )(resid 54 AND name HG* )  4.01  2.21  2.21
assign (resid 51 AND name HN  )(resid 52 AND name HN  )  5.62  3.82  0.00
assign (resid 51 AND name HB* )(resid 52 AND name HN  )  4.36  2.57  2.57
assign (resid 51 AND name HN  )(resid 53 AND name HN  )  4.54  2.44  2.44
assign (resid 51 AND name HA  )(resid 54 AND name HN  )  3.85  2.05  0.00
assign (resid 52 AND name HN  )(resid 52 AND name HG* )  3.85  2.05  2.05
assign (resid 52 AND name HN  )(resid 53 AND name HN  )  2.88  1.08  0.00
assign (resid 52 AND name HB* )(resid 53 AND name HN  )  2.63  0.83  0.83
assign (resid 52 AND name HN  )(resid 54 AND name HN  )  4.59  2.24  2.24
assign (resid 52 AND name HA  )(resid 55 AND name HN  )  4.89  1.78  1.78
assign (resid 52 AND name HA  )(resid 56 AND name HN  )  2.50  0.30  0.30
assign (resid 52 AND name HA  )(resid 56 AND name HB* )  3.48  0.42  0.42
assign (resid 52 AND name HG* )(resid 56 AND name HB* )  4.93  2.45  2.45
assign (resid 53 AND name HN  )(resid 53 AND name HA  )  2.30  0.00  9.99
assign (resid 53 AND name HB* )(resid 53 AND name HE* )  4.45  1.53  1.53
assign (resid 53 AND name HA  )(resid 54 AND name HN  )  2.64  0.00  9.99
assign (resid 53 AND name HB* )(resid 54 AND name HN  )  6.88  5.08  0.00
assign (resid 53 AND name HA  )(resid 56 AND name HB* )  4.33  0.53  0.53
assign (resid 54 AND name HN  )(resid 54 AND name HB  )  2.18  0.38  0.00
assign (resid 54 AND name HA  )(resid 54 AND name HB  )  2.24  0.00  9.99
assign (resid 54 AND name HA  )(resid 55 AND name HN  )  3.11  0.00  9.99
assign (resid 54 AND name HB  )(resid 55 AND name HN  )  2.81  1.01  0.00
assign (resid 54 AND name HN  )(resid 56 AND name HN  )  4.41  1.59  1.59
assign (resid 55 AND name HN  )(resid 56 AND name HN  )  2.25  0.24  0.24
assign (resid 55 AND name HB* )(resid 56 AND name HN  )  4.26  1.86  1.86
assign (resid 56 AND name HN  )(resid 56 AND name HA  )  2.58  0.00  9.99
assign (resid 56 AND name HN  )(resid 56 AND name HB* )  3.29  1.49  0.00
assign (resid 56 AND name HN  )(resid 57 AND name HD* )  4.73  2.26  2.26
assign (resid 56 AND name HA  )(resid 57 AND name HD* )  2.13  0.00  9.99
assign (resid 56 AND name HB* )(resid 57 AND name HD* )  3.17  0.00  9.99
assign (resid 57 AND name HA  )(resid 58 AND name HN  )  2.46  0.13  0.13
assign (resid 57 AND name HB* )(resid 58 AND name HN  )  3.11  0.00  9.99
assign (resid 58 AND name HA  )(resid 58 AND name HB  )  2.68  0.00  9.99
end

! constraints
  restraints
     dihedral

    !!Phi
         assign (resid 3 and name c  )
                (resid 4 and name n  )
                (resid 4 and name ca )
                (resid 4 and name c  ) 1 -60.0 25.0 2
         assign (resid 5 and name c  )
                (resid 6 and name n  )
                (resid 6 and name ca )
                (resid 6 and name c  ) 1 -120.0 25.0 2
         assign (resid 6 and name c  )
                (resid 7 and name n  )
                (resid 7 and name ca )
                (resid 7 and name c  ) 1 -120.0 40.0 2
         assign (resid 8 and name c  )
                (resid 9 and name n  )
                (resid 9 and name ca )
                (resid 9 and name c  ) 1 -70.0 25.0 2
         assign (resid 9 and name c   )
                (resid 10 and name n  )
                (resid 10 and name ca )
                (resid 10 and name c  ) 1 -120.0 25.0 2
         assign (resid 15 and name c  )
                (resid 16 and name n  )
                (resid 16 and name ca )
                (resid 16 and name c  ) 1 -120.0 25.0 2
         assign (resid 18 and name c  )
                (resid 19 and name n  )
                (resid 19 and name ca )
                (resid 19 and name c  ) 1 -70.0 25.0 2
         assign (resid 19 and name c  )
                (resid 20 and name n  )
                (resid 20 and name ca )
                (resid 20 and name c  ) 1 -120.0 25.0 2
         assign (resid 20 and name c  )
                (resid 21 and name n  )
                (resid 21 and name ca )
                (resid 21 and name c  ) 1 -120.0 20.0 2
         assign (resid 21 and name c  )
                (resid 22 and name n  )
                (resid 22 and name ca )
                (resid 22 and name c  ) 1 -120.0 40.0 2
         assign (resid 23 and name c  )
                (resid 24 and name n  )
                (resid 24 and name ca )
                (resid 24 and name c  ) 1 -120.0 25.0 2
         assign (resid 26 and name c  )
                (resid 27 and name n  )
                (resid 27 and name ca )
                (resid 27 and name c  ) 1 -120.0 25.0 2
         assign (resid 28 and name c  )
                (resid 29 and name n  )
                (resid 29 and name ca )
                (resid 29 and name c  ) 1 -120.0 25.0 2
         assign (resid 29 and name c  )
                (resid 30 and name n  )
                (resid 30 and name ca )
                (resid 30 and name c  ) 1 -120.0 40.0 2
         assign (resid 30 and name c  )
                (resid 31 and name n  )
                (resid 31 and name ca )
                (resid 31 and name c  ) 1 -120.0 25.0 2
         assign (resid 44 and name c  )
                (resid 45 and name n  )
                (resid 45 and name ca )
                (resid 45 and name c  ) 1 -120.0 20.0 2
         assign (resid 47 and name c  )
                (resid 48 and name n  )
                (resid 48 and name ca )
                (resid 48 and name c  ) 1 -60.0 25.0 2
         assign (resid 48 and name c  )
                (resid 49 and name n  )
                (resid 49 and name ca )
                (resid 49 and name c  ) 1 -70.0 25.0 2
         assign (resid 49 and name c  )
                (resid 50 and name n  )
                (resid 50 and name ca )
                (resid 50 and name c  ) 1 -70.0 25.0 2
         assign (resid 50 and name c  )
                (resid 51 and name n  )
                (resid 51 and name ca )
                (resid 51 and name c  ) 1 -70.0 25.0 2
         assign (resid 51 and name c  )
                (resid 52 and name n  )
                (resid 52 and name ca )
                (resid 52 and name c  ) 1 -70.0 25.0 2
         assign (resid 52 and name c  )
                (resid 53 and name n  )
                (resid 53 and name ca )
                (resid 53 and name c  ) 1 -60.0 25.0 2
         assign (resid 54 and name c  )
                (resid 55 and name n  )
                (resid 55 and name ca )
                (resid 55 and name c  ) 1 -120.0 40.0 2
         assign (resid 57 and name c  )
                (resid 58 and name n  )
                (resid 58 and name ca )
                (resid 58 and name c  ) 1 -120.0 40.0 2
   !! Chi1
         assign (resid 5 and name n  )
                (resid 5 and name ca )
                (resid 5 and name cb )
                (resid 5 and name sg ) 1 -60.0 30.0 2
         assign (resid 6 and name n  )
                (resid 6 and name ca )
                (resid 6 and name cb )
                (resid 6 and name cg ) 1 -120.0 100.0 2
         assign (resid 7 and name n  )
                (resid 7 and name ca )
                (resid 7 and name cb )
                (resid 7 and name cg ) 1 -60.0 30.0 2
         assign (resid 9 and name n  )
                (resid 9 and name ca )
                (resid 9 and name cb )
                (resid 9 and name cg ) 1 -120.0 100.0 2
         assign (resid 10 and name n  )
                (resid 10 and name ca )
                (resid 10 and name cb )
                (resid 10 and name cg ) 1 -120.0 100.0 2
         assign (resid 15 and name n  )
                (resid 15 and name ca )
                (resid 15 and name cb )
                (resid 15 and name cg ) 1 -120.0 100.0 2
         assign (resid 17 and name n  )
                (resid 17 and name ca )
                (resid 17 and name cb )
                (resid 17 and name cg ) 1 -60.0 30.0 2
         assign (resid 20 and name n  )
                (resid 20 and name ca )
                (resid 20 and name cb )
                (resid 20 and name cg ) 1 -120.0 100.0 2
         assign (resid 21 and name n  )
                (resid 21 and name ca )
                (resid 21 and name cb )
                (resid 21 and name cg ) 1 -60.0 30.0 2
         assign (resid 23 and name n  )
                (resid 23 and name ca )
                (resid 23 and name cb )
                (resid 23 and name cg ) 1 180.0 30.0 2
         assign (resid 24 and name n  )
                (resid 24 and name ca )
                (resid 24 and name cb )
                (resid 24 and name cg ) 1 -120.0 100.0 2
         assign (resid 26 and name n  )
                (resid 26 and name ca )
                (resid 26 and name cb )
                (resid 26 and name cg ) 1 -120.0 100.0 2
         assign (resid 28 and name n  )
                (resid 28 and name ca )
                (resid 28 and name cb )
                (resid 28 and name cg ) 1 -120.0 100.0 2
         assign (resid 30 and name n  )
                (resid 30 and name ca )
                (resid 30 and name cb )
                (resid 30 and name sg ) 1 -60.0 30.0 2
         assign (resid 32 and name n  )
                (resid 32 and name ca )
                (resid 32 and name cb )
                (resid 32 and name cg ) 1 -120.0 100.0 2
         assign (resid 34 and name n  )
                (resid 34 and name ca )
                (resid 34 and name cb )
                (resid 34 and name cg ) 1 -60.0 30.0 2
         assign (resid 41 and name n  )
                (resid 41 and name ca )
                (resid 41 and name cb )
                (resid 41 and name cg ) 1 60.0 30.0 2
         assign (resid 42 and name n  )
                (resid 42 and name ca )
                (resid 42 and name cb )
                (resid 42 and name cg ) 1 -60.0 30.0 2
         assign (resid 43 and name n  )
                (resid 43 and name ca )
                (resid 43 and name cb )
                (resid 43 and name cg ) 1 180.0 30.0 2
         assign (resid 45 and name n  )
                (resid 45 and name ca )
                (resid 45 and name cb )
                (resid 45 and name cg ) 1 -60.0 30.0 2
         assign (resid 48 and name n  )
                (resid 48 and name ca )
                (resid 48 and name cb )
                (resid 48 and name cg ) 1 180.0 30.0 2
         assign (resid 51 and name n  )
                (resid 51 and name ca )
                (resid 51 and name cb )
                (resid 51 and name sg ) 1 -120.0 100.0 2
         assign (resid 55 and name n  )
                (resid 55 and name ca )
                (resid 55 and name cb )
                (resid 55 and name sg ) 1 -120.0 100.0 2

     end

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    GLU   1          2H        GLU   1  -6.989 -15.067  -3.026
    2   2H    GLU   1          1H        GLU   1  -8.402 -15.947  -3.487
    3   3H    GLU   1          3H        GLU   1  -8.104 -14.427  -4.085
    4    HA   GLU   1           HA       GLU   1  -9.201 -13.479  -2.428
    5   1HB   GLU   1          2HB       GLU   1  -9.436 -16.458  -1.555
    6   2HB   GLU   1          1HB       GLU   1 -10.493 -15.215  -0.933
    7   1HG   GLU   1          2HG       GLU   1 -10.681 -16.676  -3.503
    8   2HG   GLU   1          1HG       GLU   1 -11.878 -15.631  -2.791
    9    H    THR   2           H        THR   2  -8.756 -12.592  -0.196
   10    HA   THR   2           HA       THR   2  -7.139 -11.812   1.337
   11    HB   THR   2           HB       THR   2  -6.023 -13.848   2.711
   12    HG1  THR   2           HG1      THR   2  -6.382 -15.221   0.791
   13   1HG2  THR   2          1HG2      THR   2  -9.031 -14.064   2.219
   14   2HG2  THR   2          3HG2      THR   2  -8.149 -14.637   3.616
   15   3HG2  THR   2          2HG2      THR   2  -8.345 -12.908   3.360
   16    H    ASP   3           H        ASP   3  -6.546 -11.911  -1.100
   17    HA   ASP   3           HA       ASP   3  -3.612 -12.042  -1.414
   18   1HB   ASP   3          2HB       ASP   3  -4.222 -12.637  -3.850
   19   2HB   ASP   3          1HB       ASP   3  -4.680 -13.846  -2.675
   20    H    ILE   4           H        ILE   4  -3.702  -9.875  -0.632
   21    HA   ILE   4           HA       ILE   4  -4.964  -7.565  -1.401
   22    HB   ILE   4           HB       ILE   4  -3.271  -7.479   0.281
   23   1HG1  ILE   4          2HG1      ILE   4  -2.142  -5.808  -1.996
   24   2HG1  ILE   4          1HG1      ILE   4  -3.588  -5.376  -1.115
   25   1HG2  ILE   4          3HG2      ILE   4  -1.684  -9.244  -0.644
   26   2HG2  ILE   4          2HG2      ILE   4  -1.182  -8.123  -1.898
   27   3HG2  ILE   4          1HG2      ILE   4  -0.813  -7.801  -0.220
   28   1HD1  ILE   4          1HD1      ILE   4  -0.812  -5.772   0.149
   29   2HD1  ILE   4          3HD1      ILE   4  -1.591  -4.241  -0.132
   30   3HD1  ILE   4          2HD1      ILE   4  -2.265  -5.352   1.036
   31    H    CYS   5           H        CYS   5  -2.825  -9.277  -3.290
   32    HA   CYS   5           HA       CYS   5  -2.049  -7.515  -5.384
   33   1HB   CYS   5          2HB       CYS   5  -2.558 -10.481  -5.385
   34   2HB   CYS   5          1HB       CYS   5  -1.569  -9.648  -6.558
   35    H    LYS   6           H        LYS   6  -5.096  -8.928  -4.823
   36    HA   LYS   6           HA       LYS   6  -6.165  -8.543  -7.518
   37   1HB   LYS   6          2HB       LYS   6  -6.815 -10.605  -6.691
   38   2HB   LYS   6          1HB       LYS   6  -6.617 -10.155  -5.021
   39   1HG   LYS   6          2HG       LYS   6  -8.650  -8.731  -5.218
   40   2HG   LYS   6          1HG       LYS   6  -8.973  -9.491  -6.774
   41   1HD   LYS   6          2HD       LYS   6  -8.684 -10.705  -3.958
   42   2HD   LYS   6          1HD       LYS   6 -10.202 -10.621  -4.777
   43   1HE   LYS   6          2HE       LYS   6  -7.963 -12.239  -6.011
   44   2HE   LYS   6          1HE       LYS   6  -8.837 -12.815  -4.611
   45   1HZ   LYS   6          3HZ       LYS   6 -10.795 -11.825  -6.278
   46   2HZ   LYS   6          2HZ       LYS   6  -9.770 -12.790  -7.275
   47   3HZ   LYS   6          1HZ       LYS   6 -10.463 -13.404  -5.871
   48    H    LEU   7           H        LEU   7  -5.713  -6.565  -4.889
   49    HA   LEU   7           HA       LEU   7  -8.248  -5.217  -5.088
   50   1HB   LEU   7          2HB       LEU   7  -5.827  -4.638  -3.352
   51   2HB   LEU   7          1HB       LEU   7  -7.398  -3.908  -3.122
   52    HG   LEU   7           HG       LEU   7  -6.706  -6.879  -2.803
   53   1HD1  LEU   7          2HD1      LEU   7  -5.932  -5.376  -0.984
   54   2HD1  LEU   7          1HD1      LEU   7  -7.552  -4.724  -0.819
   55   3HD1  LEU   7          3HD1      LEU   7  -7.240  -6.407  -0.425
   56   1HD2  LEU   7          1HD2      LEU   7  -9.359  -5.416  -2.346
   57   2HD2  LEU   7          3HD2      LEU   7  -9.051  -6.553  -3.647
   58   3HD2  LEU   7          2HD2      LEU   7  -9.049  -7.104  -1.989
   59    HA   PRO   8           HA       PRO   8  -6.514  -2.524  -8.081
   60   1HB   PRO   8          2HB       PRO   8  -8.524  -0.758  -8.482
   61   2HB   PRO   8          1HB       PRO   8  -8.782  -2.487  -8.771
   62   1HG   PRO   8          2HG       PRO   8  -9.333  -0.950  -6.151
   63   2HG   PRO   8          1HG       PRO   8 -10.515  -1.852  -7.109
   64   1HD   PRO   8          2HD       PRO   8  -9.219  -3.053  -5.021
   65   2HD   PRO   8          1HD       PRO   8  -9.511  -3.982  -6.513
   66    H    LYS   9           H        LYS   9  -5.861  -0.464  -8.575
   67    HA   LYS   9           HA       LYS   9  -4.141   0.826  -6.762
   68   1HB   LYS   9          2HB       LYS   9  -4.009   1.202  -9.235
   69   2HB   LYS   9          1HB       LYS   9  -5.562   1.993  -9.251
   70   1HG   LYS   9          2HG       LYS   9  -3.131   3.042  -7.782
   71   2HG   LYS   9          1HG       LYS   9  -3.435   3.437  -9.450
   72   1HD   LYS   9          2HD       LYS   9  -5.231   4.168  -7.044
   73   2HD   LYS   9          1HD       LYS   9  -4.238   5.192  -7.989
   74   1HE   LYS   9          2HE       LYS   9  -6.488   3.742  -9.393
   75   2HE   LYS   9          1HE       LYS   9  -6.784   5.180  -8.437
   76   1HZ   LYS   9          1HZ       LYS   9  -4.543   5.870  -9.801
   77   2HZ   LYS   9          3HZ       LYS   9  -5.461   5.077 -11.027
   78   3HZ   LYS   9          2HZ       LYS   9  -6.038   6.382 -10.105
   79    H    ASP  10           H        ASP  10  -4.348   2.062  -4.980
   80    HA   ASP  10           HA       ASP  10  -6.975   3.063  -4.255
   81   1HB   ASP  10          2HB       ASP  10  -5.820   1.448  -2.836
   82   2HB   ASP  10          1HB       ASP  10  -4.462   2.535  -2.657
   83    H    GLU  11           H        GLU  11  -7.099   5.183  -5.357
   84    HA   GLU  11           HA       GLU  11  -5.411   7.343  -4.162
   85   1HB   GLU  11          2HB       GLU  11  -7.565   7.340  -6.302
   86   2HB   GLU  11          1HB       GLU  11  -6.673   8.770  -5.791
   87   1HG   GLU  11          2HG       GLU  11  -4.522   7.779  -6.351
   88   2HG   GLU  11          1HG       GLU  11  -5.183   6.200  -6.555
   89    H    GLY  12           H        GLY  12  -6.710   6.106  -2.579
   90   1HA   GLY  12          2HA       GLY  12  -8.891   6.090  -1.144
   91   2HA   GLY  12          1HA       GLY  12  -7.519   6.698  -0.296
   92    H    THR  13           H        THR  13  -9.736   8.194  -2.526
   93    HA   THR  13           HA       THR  13 -10.378  10.603  -2.284
   94    HB   THR  13           HB       THR  13 -12.211   9.015  -2.720
   95    HG1  THR  13           HG1      THR  13 -12.883  10.832  -0.663
   96   1HG2  THR  13          1HG2      THR  13 -12.653   9.052   0.320
   97   2HG2  THR  13          3HG2      THR  13 -13.657   8.291  -0.895
   98   3HG2  THR  13          2HG2      THR  13 -12.051   7.659  -0.559
   99    H    CYS  14           H        CYS  14  -8.573  10.912  -0.471
  100    HA   CYS  14           HA       CYS  14  -9.969  12.076   1.931
  101   1HB   CYS  14          2HB       CYS  14  -8.465  10.021   2.209
  102   2HB   CYS  14          1HB       CYS  14  -7.103  11.056   1.881
  103    H    ARG  15           H        ARG  15  -7.392  13.173   2.785
  104    HA   ARG  15           HA       ARG  15  -7.313  15.571   0.971
  105   1HB   ARG  15          2HB       ARG  15  -7.720  15.253   3.873
  106   2HB   ARG  15          1HB       ARG  15  -6.674  16.595   3.463
  107   1HG   ARG  15          2HG       ARG  15  -9.306  16.199   1.963
  108   2HG   ARG  15          1HG       ARG  15  -9.331  16.916   3.552
  109   1HD   ARG  15          2HD       ARG  15  -9.177  18.624   1.657
  110   2HD   ARG  15          1HD       ARG  15  -7.931  18.766   2.888
  111    HE   ARG  15           HE       ARG  15  -6.348  17.524   1.331
  112   1HH1  ARG  15          2HH1      ARG  15  -8.319  16.408  -0.376
  113   2HH1  ARG  15          1HH1      ARG  15  -8.150  17.341  -1.823
  114   1HH2  ARG  15          1HH2      ARG  15  -6.498  19.749   0.059
  115   2HH2  ARG  15          2HH2      ARG  15  -7.022  19.430  -1.564
  116    H    ASP  16           H        ASP  16  -5.172  13.304   1.749
  117    HA   ASP  16           HA       ASP  16  -2.816  15.036   1.538
  118   1HB   ASP  16          2HB       ASP  16  -1.768  13.178   2.957
  119   2HB   ASP  16          1HB       ASP  16  -3.176  13.854   3.758
  120    H    PHE  17           H        PHE  17  -4.198  13.784  -0.688
  121    HA   PHE  17           HA       PHE  17  -3.118  11.671  -2.005
  122   1HB   PHE  17          2HB       PHE  17  -3.275  14.327  -3.371
  123   2HB   PHE  17          1HB       PHE  17  -3.346  12.767  -4.139
  124    HD1  PHE  17           HD2      PHE  17  -5.248  11.267  -3.915
  125    HD2  PHE  17           HD1      PHE  17  -5.239  15.069  -2.022
  126    HE1  PHE  17           HE2      PHE  17  -7.649  11.037  -3.482
  127    HE2  PHE  17           HE1      PHE  17  -7.659  14.837  -1.586
  128    HZ   PHE  17           HZ       PHE  17  -8.861  12.842  -2.309
  129    H    ILE  18           H        ILE  18  -1.199  11.025  -1.568
  130    HA   ILE  18           HA       ILE  18   1.175  12.604  -2.624
  131    HB   ILE  18           HB       ILE  18   1.143  12.079  -0.085
  132   1HG1  ILE  18          2HG1      ILE  18   3.215  12.499  -1.641
  133   2HG1  ILE  18          1HG1      ILE  18   3.437  12.020   0.024
  134   1HG2  ILE  18          1HG2      ILE  18   1.701   9.216  -0.988
  135   2HG2  ILE  18          3HG2      ILE  18   1.876   9.824   0.648
  136   3HG2  ILE  18          2HG2      ILE  18   0.292   9.795  -0.098
  137   1HD1  ILE  18          2HD1      ILE  18   3.669  10.136  -2.380
  138   2HD1  ILE  18          1HD1      ILE  18   5.000  10.793  -1.473
  139   3HD1  ILE  18          3HD1      ILE  18   3.898   9.669  -0.718
  140    H    LEU  19           H        LEU  19   2.774  11.343  -3.803
  141    HA   LEU  19           HA       LEU  19   1.355   9.372  -5.365
  142   1HB   LEU  19          2HB       LEU  19   2.695  10.085  -7.033
  143   2HB   LEU  19          1HB       LEU  19   3.175  11.321  -5.932
  144    HG   LEU  19           HG       LEU  19   5.120   9.652  -5.155
  145   1HD1  LEU  19          1HD1      LEU  19   4.470   8.430  -7.882
  146   2HD1  LEU  19          3HD1      LEU  19   5.865   8.054  -6.886
  147   3HD1  LEU  19          2HD1      LEU  19   4.273   7.598  -6.360
  148   1HD2  LEU  19          2HD2      LEU  19   5.219  10.793  -7.981
  149   2HD2  LEU  19          1HD2      LEU  19   5.585  11.679  -6.510
  150   3HD2  LEU  19          3HD2      LEU  19   6.604  10.344  -6.997
  151    H    LYS  20           H        LYS  20   1.649   7.214  -5.407
  152    HA   LYS  20           HA       LYS  20   3.899   5.921  -3.921
  153   1HB   LYS  20          2HB       LYS  20   0.912   5.443  -3.452
  154   2HB   LYS  20          1HB       LYS  20   2.147   4.386  -2.790
  155   1HG   LYS  20          2HG       LYS  20   3.194   6.721  -1.886
  156   2HG   LYS  20          1HG       LYS  20   1.630   7.359  -2.260
  157   1HD   LYS  20          2HD       LYS  20   1.614   6.919   0.094
  158   2HD   LYS  20          1HD       LYS  20   0.574   5.720  -0.634
  159   1HE   LYS  20          2HE       LYS  20   3.485   5.109  -0.091
  160   2HE   LYS  20          1HE       LYS  20   2.283   4.971   1.193
  161   1HZ   LYS  20          2HZ       LYS  20   1.175   3.861  -1.129
  162   2HZ   LYS  20          1HZ       LYS  20   2.714   3.208  -1.001
  163   3HZ   LYS  20          3HZ       LYS  20   1.633   2.990   0.260
  164    H    TRP  21           H        TRP  21   3.565   3.309  -4.138
  165    HA   TRP  21           HA       TRP  21   3.284   2.867  -7.089
  166   1HB   TRP  21          2HB       TRP  21   5.007   1.404  -5.025
  167   2HB   TRP  21          1HB       TRP  21   4.826   0.869  -6.679
  168    HD1  TRP  21           HD1      TRP  21   6.300   3.858  -4.643
  169    HE1  TRP  21           HE1      TRP  21   7.987   4.927  -6.204
  170    HE3  TRP  21           HE3      TRP  21   5.563   1.104  -8.772
  171    HZ2  TRP  21           HZ2      TRP  21   9.023   4.632  -8.864
  172    HZ3  TRP  21           HZ3      TRP  21   6.897   1.432 -10.812
  173    HH2  TRP  21           HH2      TRP  21   8.648   3.195 -10.875
  174    H    TYR  22           H        TYR  22   1.949   1.208  -7.785
  175    HA   TYR  22           HA       TYR  22   0.724  -0.533  -5.653
  176   1HB   TYR  22          2HB       TYR  22  -1.451   0.121  -6.267
  177   2HB   TYR  22          1HB       TYR  22  -0.683   1.545  -6.894
  178    HD1  TYR  22           HD1      TYR  22  -0.149   1.647  -9.509
  179    HD2  TYR  22           HD2      TYR  22  -2.396  -1.398  -7.592
  180    HE1  TYR  22           HE1      TYR  22  -1.155   0.895 -11.707
  181    HE2  TYR  22           HE2      TYR  22  -3.348  -2.112  -9.785
  182    HH   TYR  22           HH       TYR  22  -2.475  -1.749 -12.428
  183    H    TYR  23           H        TYR  23   0.106  -2.518  -6.340
  184    HA   TYR  23           HA       TYR  23   1.695  -3.653  -8.541
  185   1HB   TYR  23          2HB       TYR  23   1.441  -4.653  -6.142
  186   2HB   TYR  23          1HB       TYR  23  -0.216  -5.018  -6.666
  187    HD1  TYR  23           HD1      TYR  23   3.310  -5.715  -7.758
  188    HD2  TYR  23           HD2      TYR  23  -0.753  -6.963  -7.610
  189    HE1  TYR  23           HE1      TYR  23   3.926  -7.908  -8.762
  190    HE2  TYR  23           HE2      TYR  23  -0.083  -9.135  -8.629
  191    HH   TYR  23           HH       TYR  23   3.014 -10.091  -8.979
  192    H    ASP  24           H        ASP  24   1.008  -4.180 -10.380
  193    HA   ASP  24           HA       ASP  24  -1.856  -4.100 -11.102
  194   1HB   ASP  24          2HB       ASP  24  -0.405  -2.509 -12.063
  195   2HB   ASP  24          1HB       ASP  24   0.678  -3.771 -12.684
  196    HA   PRO  25           HA       PRO  25  -1.165  -8.807 -11.162
  197   1HB   PRO  25          2HB       PRO  25  -3.949  -8.978 -11.815
  198   2HB   PRO  25          1HB       PRO  25  -3.198  -9.255 -10.243
  199   1HG   PRO  25          2HG       PRO  25  -4.334  -6.634 -11.346
  200   2HG   PRO  25          1HG       PRO  25  -4.551  -7.332  -9.730
  201   1HD   PRO  25          2HD       PRO  25  -2.797  -5.402  -9.956
  202   2HD   PRO  25          1HD       PRO  25  -2.244  -6.871  -9.129
  203    H    ASN  26           H        ASN  26  -2.362  -6.656 -13.613
  204    HA   ASN  26           HA       ASN  26  -2.554  -8.555 -15.801
  205   1HB   ASN  26          2HB       ASN  26  -2.003  -5.526 -16.020
  206   2HB   ASN  26          1HB       ASN  26  -2.820  -6.543 -17.180
  207   1HD2  ASN  26          2HD2      ASN  26  -4.972  -4.874 -14.367
  208   2HD2  ASN  26          1HD2      ASN  26  -3.357  -4.409 -14.624
  209    H    THR  27           H        THR  27  -0.072  -6.458 -14.647
  210    HA   THR  27           HA       THR  27   1.957  -7.564 -16.595
  211    HB   THR  27           HB       THR  27   3.550  -5.840 -15.557
  212    HG1  THR  27           HG1      THR  27   1.227  -4.953 -14.198
  213   1HG2  THR  27          3HG2      THR  27   0.817  -4.617 -16.156
  214   2HG2  THR  27          2HG2      THR  27   2.355  -3.782 -16.140
  215   3HG2  THR  27          1HG2      THR  27   2.013  -4.989 -17.373
  216    H    LYS  28           H        LYS  28   1.525  -7.006 -13.301
  217    HA   LYS  28           HA       LYS  28   1.694  -8.148 -11.402
  218   1HB   LYS  28          2HB       LYS  28   3.522 -10.092 -12.995
  219   2HB   LYS  28          1HB       LYS  28   3.120 -10.333 -11.323
  220   1HG   LYS  28          2HG       LYS  28   0.730 -10.365 -11.759
  221   2HG   LYS  28          1HG       LYS  28   0.950 -10.047 -13.449
  222   1HD   LYS  28          2HD       LYS  28   1.857 -12.570 -11.857
  223   2HD   LYS  28          1HD       LYS  28   0.633 -12.610 -13.086
  224   1HE   LYS  28          2HE       LYS  28   3.617 -12.187 -13.419
  225   2HE   LYS  28          1HE       LYS  28   2.609 -13.496 -14.032
  226   1HZ   LYS  28          1HZ       LYS  28   1.402 -11.139 -14.842
  227   2HZ   LYS  28          3HZ       LYS  28   3.022 -10.886 -15.140
  228   3HZ   LYS  28          2HZ       LYS  28   2.238 -12.235 -15.853
  229    H    SER  29           H        SER  29   2.976  -5.974 -12.295
  230    HA   SER  29           HA       SER  29   5.359  -5.995 -10.604
  231   1HB   SER  29          2HB       SER  29   6.503  -4.548 -12.405
  232   2HB   SER  29          1HB       SER  29   5.906  -6.024 -13.153
  233    HG   SER  29           HG       SER  29   3.835  -4.709 -13.573
  234    H    CYS  30           H        CYS  30   5.542  -2.997 -11.005
  235    HA   CYS  30           HA       CYS  30   2.883  -2.150  -9.989
  236   1HB   CYS  30          2HB       CYS  30   5.488  -1.975  -8.580
  237   2HB   CYS  30          1HB       CYS  30   4.261  -0.769  -8.259
  238    H    ALA  31           H        ALA  31   2.329  -0.063 -10.124
  239    HA   ALA  31           HA       ALA  31   3.966   1.737 -11.855
  240   1HB   ALA  31          1HB       ALA  31   2.007   0.720 -13.058
  241   2HB   ALA  31          3HB       ALA  31   0.930   1.310 -11.811
  242   3HB   ALA  31          2HB       ALA  31   1.751   2.448 -12.868
  243    H    ARG  32           H        ARG  32   3.222   3.924 -11.592
  244    HA   ARG  32           HA       ARG  32   3.148   4.711  -8.778
  245   1HB   ARG  32          2HB       ARG  32   3.846   6.082 -11.339
  246   2HB   ARG  32          1HB       ARG  32   4.025   6.874  -9.754
  247   1HG   ARG  32          2HG       ARG  32   5.811   5.417  -9.112
  248   2HG   ARG  32          1HG       ARG  32   5.332   4.146 -10.191
  249   1HD   ARG  32          2HD       ARG  32   7.308   5.054 -11.159
  250   2HD   ARG  32          1HD       ARG  32   5.998   5.658 -12.149
  251    HE   ARG  32           HE       ARG  32   7.249   7.283  -9.906
  252   1HH1  ARG  32          2HH1      ARG  32   4.818   8.067 -11.105
  253   2HH1  ARG  32          1HH1      ARG  32   5.260   9.307 -12.239
  254   1HH2  ARG  32          1HH2      ARG  32   8.517   8.093 -12.022
  255   2HH2  ARG  32          2HH2      ARG  32   7.570   9.320 -12.793
  256    H    PHE  33           H        PHE  33   1.487   5.637  -7.857
  257    HA   PHE  33           HA       PHE  33  -0.569   7.161  -9.429
  258   1HB   PHE  33          2HB       PHE  33  -2.340   5.739  -8.785
  259   2HB   PHE  33          1HB       PHE  33  -1.031   4.613  -9.054
  260    HD1  PHE  33           HD2      PHE  33  -3.048   6.287  -6.607
  261    HD2  PHE  33           HD1      PHE  33   0.054   3.457  -7.115
  262    HE1  PHE  33           HE2      PHE  33  -3.396   5.553  -4.349
  263    HE2  PHE  33           HE1      PHE  33  -0.313   2.672  -4.779
  264    HZ   PHE  33           HZ       PHE  33  -2.044   3.735  -3.399
  265    H    TRP  34           H        TRP  34  -2.427   8.016  -7.798
  266    HA   TRP  34           HA       TRP  34  -1.004   9.595  -5.673
  267   1HB   TRP  34          2HB       TRP  34  -3.482  10.100  -7.455
  268   2HB   TRP  34          1HB       TRP  34  -3.179  11.103  -6.108
  269    HD1  TRP  34           HD1      TRP  34  -2.483  10.700  -9.365
  270    HE1  TRP  34           HE1      TRP  34  -0.526  12.295 -10.101
  271    HE3  TRP  34           HE3      TRP  34  -0.822  11.997  -4.911
  272    HZ2  TRP  34           HZ2      TRP  34   1.464  13.926  -8.857
  273    HZ3  TRP  34           HZ3      TRP  34   1.053  13.575  -4.601
  274    HH2  TRP  34           HH2      TRP  34   2.212  14.537  -6.567
  275    H    TYR  35           H        TYR  35  -1.217   7.993  -3.980
  276    HA   TYR  35           HA       TYR  35  -3.917   7.350  -2.985
  277   1HB   TYR  35          2HB       TYR  35  -2.771   5.549  -2.292
  278   2HB   TYR  35          1HB       TYR  35  -1.218   6.336  -2.548
  279    HD1  TYR  35           HD1      TYR  35  -0.455   7.964  -0.778
  280    HD2  TYR  35           HD2      TYR  35  -3.622   5.232  -0.100
  281    HE1  TYR  35           HE1      TYR  35  -0.177   8.258   1.677
  282    HE2  TYR  35           HE2      TYR  35  -3.318   5.535   2.361
  283    HH   TYR  35           HH       TYR  35  -1.794   8.013   3.643
  284    H    GLY  36           H        GLY  36  -4.742   7.593  -1.049
  285   1HA   GLY  36          2HA       GLY  36  -4.049  10.046   0.565
  286   2HA   GLY  36          1HA       GLY  36  -5.718   9.694   0.134
  287    H    GLY  37           H        GLY  37  -4.039   9.835   2.640
  288   1HA   GLY  37          2HA       GLY  37  -3.792   7.488   4.103
  289   2HA   GLY  37          1HA       GLY  37  -4.120   9.041   4.802
  290    H    CYS  38           H        CYS  38  -6.894   9.213   3.972
  291    HA   CYS  38           HA       CYS  38  -7.909   7.206   5.933
  292   1HB   CYS  38          2HB       CYS  38  -9.633   8.737   6.424
  293   2HB   CYS  38          1HB       CYS  38  -8.113   9.572   6.381
  294    H    GLY  39           H        GLY  39  -9.341   8.257   2.765
  295   1HA   GLY  39          2HA       GLY  39 -11.264   5.961   3.123
  296   2HA   GLY  39          1HA       GLY  39 -11.440   7.243   1.956
  297    H    GLY  40           H        GLY  40  -9.071   4.769   2.628
  298   1HA   GLY  40          2HA       GLY  40  -9.260   3.791  -0.223
  299   2HA   GLY  40          1HA       GLY  40  -7.707   4.103   0.487
  300    H    ASN  41           H        ASN  41  -7.446   2.009  -0.436
  301    HA   ASN  41           HA       ASN  41  -8.049  -0.260   1.442
  302   1HB   ASN  41          2HB       ASN  41  -8.325  -1.722  -0.464
  303   2HB   ASN  41          1HB       ASN  41  -9.118  -0.248  -0.997
  304   1HD2  ASN  41          2HD2      ASN  41  -7.048  -0.081  -3.791
  305   2HD2  ASN  41          1HD2      ASN  41  -8.426   0.529  -3.008
  306    H    GLU  42           H        GLU  42  -6.075  -2.123   0.700
  307    HA   GLU  42           HA       GLU  42  -3.657  -0.481   1.316
  308   1HB   GLU  42          2HB       GLU  42  -4.179  -3.408   1.805
  309   2HB   GLU  42          1HB       GLU  42  -2.729  -2.536   2.266
  310   1HG   GLU  42          2HG       GLU  42  -5.556  -2.036   3.368
  311   2HG   GLU  42          1HG       GLU  42  -4.115  -2.457   4.256
  312    H    ASN  43           H        ASN  43  -4.332  -1.456  -1.699
  313    HA   ASN  43           HA       ASN  43  -1.626  -2.654  -2.258
  314   1HB   ASN  43          2HB       ASN  43  -3.612  -3.413  -3.452
  315   2HB   ASN  43          1HB       ASN  43  -3.935  -1.821  -4.129
  316   1HD2  ASN  43          2HD2      ASN  43  -2.205  -3.537  -6.822
  317   2HD2  ASN  43          1HD2      ASN  43  -3.729  -3.498  -6.079
  318    H    LYS  44           H        LYS  44  -0.941  -0.785  -1.134
  319    HA   LYS  44           HA       LYS  44   0.068   1.309  -2.988
  320   1HB   LYS  44          2HB       LYS  44  -0.752   3.154  -1.490
  321   2HB   LYS  44          1HB       LYS  44  -2.033   2.044  -1.897
  322   1HG   LYS  44          2HG       LYS  44  -1.397   0.760   0.331
  323   2HG   LYS  44          1HG       LYS  44  -0.630   2.258   0.807
  324   1HD   LYS  44          2HD       LYS  44  -2.827   3.445   0.182
  325   2HD   LYS  44          1HD       LYS  44  -3.504   1.883  -0.112
  326   1HE   LYS  44          2HE       LYS  44  -3.024   1.255   2.267
  327   2HE   LYS  44          1HE       LYS  44  -2.551   2.909   2.593
  328   1HZ   LYS  44          2HZ       LYS  44  -4.969   2.834   1.074
  329   2HZ   LYS  44          1HZ       LYS  44  -5.081   1.804   2.361
  330   3HZ   LYS  44          3HZ       LYS  44  -4.822   3.441   2.669
  331    H    PHE  45           H        PHE  45   2.201   0.985  -3.001
  332    HA   PHE  45           HA       PHE  45   3.777   0.755  -0.467
  333   1HB   PHE  45          2HB       PHE  45   4.457  -0.026  -3.345
  334   2HB   PHE  45          1HB       PHE  45   5.407  -0.416  -1.916
  335    HD1  PHE  45           HD2      PHE  45   4.369  -1.705  -0.116
  336    HD2  PHE  45           HD1      PHE  45   2.495  -1.387  -3.923
  337    HE1  PHE  45           HE2      PHE  45   2.979  -3.626   0.450
  338    HE2  PHE  45           HE1      PHE  45   1.097  -3.325  -3.367
  339    HZ   PHE  45           HZ       PHE  45   1.303  -4.445  -1.225
  340    H    GLY  46           H        GLY  46   5.944   1.588  -0.670
  341   1HA   GLY  46          2HA       GLY  46   6.038   4.507  -1.373
  342   2HA   GLY  46          1HA       GLY  46   7.235   3.651  -0.406
  343    H    SER  47           H        SER  47   7.616   1.578  -2.379
  344    HA   SER  47           HA       SER  47   8.751   2.880  -4.769
  345   1HB   SER  47          2HB       SER  47  10.426   1.433  -2.736
  346   2HB   SER  47          1HB       SER  47  10.974   1.819  -4.386
  347    HG   SER  47           HG       SER  47   9.759   3.986  -3.161
  348    H    GLN  48           H        GLN  48   8.984   1.438  -6.557
  349    HA   GLN  48           HA       GLN  48   7.321  -0.802  -6.738
  350   1HB   GLN  48          2HB       GLN  48   8.453   0.290  -8.676
  351   2HB   GLN  48          1HB       GLN  48  10.000  -0.385  -8.189
  352   1HG   GLN  48          2HG       GLN  48   9.156  -2.719  -8.540
  353   2HG   GLN  48          1HG       GLN  48   7.533  -2.148  -8.775
  354   1HE2  GLN  48          2HE2      GLN  48   9.239  -0.882 -12.010
  355   2HE2  GLN  48          1HE2      GLN  48   9.230   0.038 -10.571
  356    H    LYS  49           H        LYS  49  10.682  -0.825  -5.780
  357    HA   LYS  49           HA       LYS  49  10.901  -3.623  -5.462
  358   1HB   LYS  49          2HB       LYS  49  12.315  -1.246  -4.076
  359   2HB   LYS  49          1HB       LYS  49  12.805  -2.883  -3.713
  360   1HG   LYS  49          2HG       LYS  49  12.771  -1.716  -6.556
  361   2HG   LYS  49          1HG       LYS  49  14.203  -1.818  -5.545
  362   1HD   LYS  49          2HD       LYS  49  13.932  -4.327  -5.388
  363   2HD   LYS  49          1HD       LYS  49  12.482  -4.243  -6.353
  364   1HE   LYS  49          2HE       LYS  49  13.680  -3.478  -8.292
  365   2HE   LYS  49          1HE       LYS  49  15.203  -3.545  -7.394
  366   1HZ   LYS  49          2HZ       LYS  49  13.732  -5.927  -6.921
  367   2HZ   LYS  49          1HZ       LYS  49  13.662  -5.748  -8.492
  368   3HZ   LYS  49          3HZ       LYS  49  15.190  -5.864  -7.749
  369    H    GLU  50           H        GLU  50   9.467  -1.433  -3.117
  370    HA   GLU  50           HA       GLU  50   9.348  -3.267  -0.986
  371   1HB   GLU  50          2HB       GLU  50   9.035  -0.928  -0.746
  372   2HB   GLU  50          1HB       GLU  50   7.587  -0.972  -1.763
  373   1HG   GLU  50          2HG       GLU  50   6.473  -2.447  -0.022
  374   2HG   GLU  50          1HG       GLU  50   7.942  -2.438   0.926
  375    H    CYS  51           H        CYS  51   7.121  -2.250  -3.417
  376    HA   CYS  51           HA       CYS  51   4.916  -3.980  -3.257
  377   1HB   CYS  51          2HB       CYS  51   4.574  -2.513  -4.936
  378   2HB   CYS  51          1HB       CYS  51   6.246  -2.368  -5.351
  379    H    GLU  52           H        GLU  52   7.760  -4.461  -5.190
  380    HA   GLU  52           HA       GLU  52   7.500  -7.112  -6.155
  381   1HB   GLU  52          2HB       GLU  52   9.216  -5.502  -6.906
  382   2HB   GLU  52          1HB       GLU  52   9.949  -5.473  -5.332
  383   1HG   GLU  52          2HG       GLU  52  10.367  -8.140  -5.782
  384   2HG   GLU  52          1HG       GLU  52   9.994  -7.689  -7.417
  385    H    LYS  53           H        LYS  53   8.454  -5.983  -3.084
  386    HA   LYS  53           HA       LYS  53   9.165  -8.710  -2.103
  387   1HB   LYS  53          2HB       LYS  53   9.914  -5.993  -1.436
  388   2HB   LYS  53          1HB       LYS  53   8.958  -6.544  -0.102
  389   1HG   LYS  53          2HG       LYS  53  11.323  -7.065   0.341
  390   2HG   LYS  53          1HG       LYS  53  10.363  -8.512   0.248
  391   1HD   LYS  53          2HD       LYS  53  12.613  -8.689  -0.939
  392   2HD   LYS  53          1HD       LYS  53  11.269  -9.130  -1.945
  393   1HE   LYS  53          2HE       LYS  53  12.459  -6.324  -1.994
  394   2HE   LYS  53          1HE       LYS  53  13.104  -7.623  -2.995
  395   1HZ   LYS  53          3HZ       LYS  53  10.320  -7.721  -3.218
  396   2HZ   LYS  53          2HZ       LYS  53  10.744  -6.114  -3.421
  397   3HZ   LYS  53          1HZ       LYS  53  11.396  -7.280  -4.418
  398    H    VAL  54           H        VAL  54   6.347  -6.765  -2.070
  399    HA   VAL  54           HA       VAL  54   5.084  -8.407   0.052
  400    HB   VAL  54           HB       VAL  54   4.327  -5.923  -1.522
  401   1HG1  VAL  54          1HG1      VAL  54   2.869  -7.310   0.827
  402   2HG1  VAL  54          3HG1      VAL  54   2.385  -5.773   0.143
  403   3HG1  VAL  54          2HG1      VAL  54   2.241  -7.240  -0.807
  404   1HG2  VAL  54          2HG2      VAL  54   5.087  -6.382   1.406
  405   2HG2  VAL  54          1HG2      VAL  54   6.100  -5.640   0.182
  406   3HG2  VAL  54          3HG2      VAL  54   4.656  -4.828   0.718
  407    H    CYS  55           H        CYS  55   4.633  -7.784  -3.372
  408    HA   CYS  55           HA       CYS  55   2.821 -10.208  -3.551
  409   1HB   CYS  55          2HB       CYS  55   1.667  -7.989  -3.966
  410   2HB   CYS  55          1HB       CYS  55   2.701  -7.752  -5.362
  411    H    ALA  56           H        ALA  56   5.132  -8.331  -5.250
  412    HA   ALA  56           HA       ALA  56   6.973  -8.881  -6.797
  413   1HB   ALA  56          3HB       ALA  56   7.198 -10.438  -5.038
  414   2HB   ALA  56          2HB       ALA  56   6.196 -11.574  -5.915
  415   3HB   ALA  56          1HB       ALA  56   7.747 -11.085  -6.598
  416    HA   PRO  57           HA       PRO  57   5.559 -10.114 -10.762
  417   1HB   PRO  57          2HB       PRO  57   7.706  -9.657 -12.191
  418   2HB   PRO  57          1HB       PRO  57   7.110  -8.390 -11.103
  419   1HG   PRO  57          2HG       PRO  57   9.365 -10.414 -10.616
  420   2HG   PRO  57          1HG       PRO  57   9.414  -8.678 -10.308
  421   1HD   PRO  57          2HD       PRO  57   8.745 -10.688  -8.408
  422   2HD   PRO  57          1HD       PRO  57   8.425  -8.944  -8.221
  423    H    VAL  58           HN       VAL  58   4.855 -12.295 -10.543
  424    HA   VAL  58           HA       VAL  58   6.621 -14.292 -11.901
  425    HB   VAL  58           HB       VAL  58   4.587 -14.753  -9.660
  426   1HG1  VAL  58          1HG1      VAL  58   6.530 -16.672 -11.025
  427   2HG1  VAL  58          3HG1      VAL  58   5.481 -17.101  -9.674
  428   3HG1  VAL  58          2HG1      VAL  58   4.788 -16.642 -11.226
  429   1HG2  VAL  58          1HG2      VAL  58   7.644 -14.946  -9.618
  430   2HG2  VAL  58          3HG2      VAL  58   6.696 -13.701  -8.821
  431   3HG2  VAL  58          2HG2      VAL  58   6.596 -15.365  -8.265
   
  No H/Q in entry =         431
  Start of MODEL    2
    1   1H    GLU   1          3H        GLU   1  -5.857 -15.162  -1.060
    2   2H    GLU   1          2H        GLU   1  -7.101 -16.190  -0.838
    3   3H    GLU   1          1H        GLU   1  -7.301 -14.833  -1.876
    4    HA   GLU   1           HA       GLU   1  -8.006 -13.626   0.037
    5   1HB   GLU   1          2HB       GLU   1  -7.760 -15.230   2.334
    6   2HB   GLU   1          1HB       GLU   1  -8.962 -15.657   1.143
    7   1HG   GLU   1          2HG       GLU   1  -7.416 -17.490   2.073
    8   2HG   GLU   1          1HG       GLU   1  -7.712 -17.532   0.367
    9    H    THR   2           H        THR   2  -6.848 -12.200   1.759
   10    HA   THR   2           HA       THR   2  -4.872 -10.814   2.109
   11    HB   THR   2           HB       THR   2  -4.434 -12.682   3.845
   12    HG1  THR   2           HG1      THR   2  -2.118 -12.032   2.421
   13   1HG2  THR   2          3HG2      THR   2  -2.504 -13.783   1.709
   14   2HG2  THR   2          2HG2      THR   2  -2.670 -14.290   3.374
   15   3HG2  THR   2          1HG2      THR   2  -3.929 -14.639   2.229
   16    H    ASP   3           H        ASP   3  -5.585 -11.468  -0.169
   17    HA   ASP   3           HA       ASP   3  -3.420 -11.826  -2.164
   18   1HB   ASP   3          2HB       ASP   3  -4.992 -13.553  -2.005
   19   2HB   ASP   3          1HB       ASP   3  -6.374 -12.497  -1.752
   20    H    ILE   4           H        ILE   4  -3.525  -9.452  -0.959
   21    HA   ILE   4           HA       ILE   4  -4.912  -7.287  -1.994
   22    HB   ILE   4           HB       ILE   4  -3.135  -5.951  -1.093
   23   1HG1  ILE   4          2HG1      ILE   4  -1.184  -7.357   0.083
   24   2HG1  ILE   4          1HG1      ILE   4  -1.532  -8.554  -1.138
   25   1HG2  ILE   4          2HG2      ILE   4  -4.713  -7.011   0.454
   26   2HG2  ILE   4          1HG2      ILE   4  -3.711  -8.432   0.611
   27   3HG2  ILE   4          3HG2      ILE   4  -3.159  -6.900   1.230
   28   1HD1  ILE   4          3HD1      ILE   4  -0.742  -5.654  -1.702
   29   2HD1  ILE   4          2HD1      ILE   4   0.297  -7.054  -1.874
   30   3HD1  ILE   4          1HD1      ILE   4  -1.056  -6.851  -2.944
   31    H    CYS   5           H        CYS   5  -2.801  -9.175  -3.640
   32    HA   CYS   5           HA       CYS   5  -1.777  -7.242  -5.580
   33   1HB   CYS   5          2HB       CYS   5  -1.664 -10.248  -5.500
   34   2HB   CYS   5          1HB       CYS   5  -0.573  -9.178  -6.365
   35    H    LYS   6           H        LYS   6  -4.750  -9.115  -5.418
   36    HA   LYS   6           HA       LYS   6  -5.098  -8.844  -8.320
   37   1HB   LYS   6          2HB       LYS   6  -5.158 -11.104  -7.374
   38   2HB   LYS   6          1HB       LYS   6  -6.203 -10.560  -6.059
   39   1HG   LYS   6          2HG       LYS   6  -7.960 -10.212  -7.351
   40   2HG   LYS   6          1HG       LYS   6  -7.043 -10.008  -8.838
   41   1HD   LYS   6          2HD       LYS   6  -8.126 -12.149  -9.206
   42   2HD   LYS   6          1HD       LYS   6  -6.569 -12.639  -8.589
   43   1HE   LYS   6          2HE       LYS   6  -9.069 -12.340  -6.887
   44   2HE   LYS   6          1HE       LYS   6  -8.472 -13.871  -7.529
   45   1HZ   LYS   6          2HZ       LYS   6  -6.295 -12.494  -6.292
   46   2HZ   LYS   6          1HZ       LYS   6  -7.499 -12.483  -5.221
   47   3HZ   LYS   6          3HZ       LYS   6  -6.944 -13.900  -5.741
   48    H    LEU   7           H        LEU   7  -5.186  -6.717  -6.371
   49    HA   LEU   7           HA       LEU   7  -7.957  -5.884  -6.382
   50   1HB   LEU   7          2HB       LEU   7  -5.539  -4.710  -4.941
   51   2HB   LEU   7          1HB       LEU   7  -7.167  -4.172  -4.661
   52    HG   LEU   7           HG       LEU   7  -5.999  -6.889  -4.030
   53   1HD1  LEU   7          1HD1      LEU   7  -7.184  -4.599  -2.348
   54   2HD1  LEU   7          3HD1      LEU   7  -6.599  -6.082  -1.664
   55   3HD1  LEU   7          2HD1      LEU   7  -5.485  -4.983  -2.450
   56   1HD2  LEU   7          1HD2      LEU   7  -8.857  -5.856  -3.610
   57   2HD2  LEU   7          3HD2      LEU   7  -8.405  -7.132  -4.736
   58   3HD2  LEU   7          2HD2      LEU   7  -8.231  -7.380  -3.013
   59    HA   PRO   8           HA       PRO   8  -6.540  -2.269  -8.845
   60   1HB   PRO   8          2HB       PRO   8  -8.721  -0.758  -8.860
   61   2HB   PRO   8          1HB       PRO   8  -8.843  -2.432  -9.431
   62   1HG   PRO   8          2HG       PRO   8  -9.649  -1.291  -6.702
   63   2HG   PRO   8          1HG       PRO   8 -10.512  -2.474  -7.680
   64   1HD   PRO   8          2HD       PRO   8  -8.625  -3.017  -5.555
   65   2HD   PRO   8          1HD       PRO   8  -9.354  -4.231  -6.638
   66    H    LYS   9           H        LYS   9  -6.668   0.123  -8.670
   67    HA   LYS   9           HA       LYS   9  -5.232   0.947  -6.191
   68   1HB   LYS   9          2HB       LYS   9  -3.978   1.361  -8.112
   69   2HB   LYS   9          1HB       LYS   9  -5.322   1.890  -9.068
   70   1HG   LYS   9          2HG       LYS   9  -4.875   3.701  -6.722
   71   2HG   LYS   9          1HG       LYS   9  -3.423   3.472  -7.647
   72   1HD   LYS   9          2HD       LYS   9  -4.756   5.410  -8.473
   73   2HD   LYS   9          1HD       LYS   9  -4.508   4.219  -9.729
   74   1HE   LYS   9          2HE       LYS   9  -6.874   3.335  -9.213
   75   2HE   LYS   9          1HE       LYS   9  -7.030   4.685  -8.091
   76   1HZ   LYS   9          3HZ       LYS   9  -6.040   5.864 -10.319
   77   2HZ   LYS   9          2HZ       LYS   9  -7.264   4.831 -10.972
   78   3HZ   LYS   9          1HZ       LYS   9  -7.523   5.984  -9.756
   79    H    ASP  10           H        ASP  10  -6.115   2.268  -4.683
   80    HA   ASP  10           HA       ASP  10  -8.683   3.649  -5.239
   81   1HB   ASP  10          2HB       ASP  10  -7.783   3.391  -2.406
   82   2HB   ASP  10          1HB       ASP  10  -9.343   3.050  -3.111
   83    H    GLU  11           H        GLU  11  -8.458   5.902  -5.572
   84    HA   GLU  11           HA       GLU  11  -6.128   7.298  -4.376
   85   1HB   GLU  11          2HB       GLU  11  -8.327   8.138  -6.232
   86   2HB   GLU  11          1HB       GLU  11  -7.174   9.291  -5.579
   87   1HG   GLU  11          2HG       GLU  11  -5.562   8.679  -7.105
   88   2HG   GLU  11          1HG       GLU  11  -5.620   7.034  -6.549
   89    H    GLY  12           H        GLY  12  -7.518   6.425  -2.632
   90   1HA   GLY  12          2HA       GLY  12  -8.981   6.608  -0.645
   91   2HA   GLY  12          1HA       GLY  12  -7.763   7.789  -0.304
   92    H    THR  13           H        THR  13  -9.538   8.584   1.124
   93    HA   THR  13           HA       THR  13 -11.732  10.029  -0.357
   94    HB   THR  13           HB       THR  13 -11.417   9.620   2.678
   95    HG1  THR  13           HG1      THR  13 -12.207   8.128   0.627
   96   1HG2  THR  13          1HG2      THR  13 -13.789  10.466   0.936
   97   2HG2  THR  13          3HG2      THR  13 -13.744  10.330   2.681
   98   3HG2  THR  13          2HG2      THR  13 -12.894  11.647   1.886
   99    H    CYS  14           H        CYS  14  -9.376  10.986   2.206
  100    HA   CYS  14           HA       CYS  14  -9.943  13.786   1.773
  101   1HB   CYS  14          2HB       CYS  14  -7.641  12.316   3.135
  102   2HB   CYS  14          1HB       CYS  14  -7.879  14.029   3.236
  103    H    ARG  15           H        ARG  15  -7.520  15.123   1.344
  104    HA   ARG  15           HA       ARG  15  -6.541  14.064  -1.286
  105   1HB   ARG  15          2HB       ARG  15  -7.755  16.820  -0.712
  106   2HB   ARG  15          1HB       ARG  15  -6.855  16.513  -2.179
  107   1HG   ARG  15          2HG       ARG  15  -9.339  14.873  -1.322
  108   2HG   ARG  15          1HG       ARG  15  -9.410  16.217  -2.434
  109   1HD   ARG  15          2HD       ARG  15  -8.172  15.081  -4.113
  110   2HD   ARG  15          1HD       ARG  15  -7.478  13.952  -2.967
  111    HE   ARG  15           HE       ARG  15 -10.443  13.846  -3.608
  112   1HH1  ARG  15          1HH2      ARG  15  -9.694  12.166  -1.555
  113   2HH1  ARG  15          2HH2      ARG  15  -9.394  10.659  -2.390
  114   1HH2  ARG  15          2HH1      ARG  15  -8.968  12.154  -5.349
  115   2HH2  ARG  15          1HH1      ARG  15  -8.906  10.691  -4.401
  116    H    ASP  16           H        ASP  16  -5.174  13.632   0.559
  117    HA   ASP  16           HA       ASP  16  -2.834  15.440   0.815
  118   1HB   ASP  16          2HB       ASP  16  -2.874  13.115   2.618
  119   2HB   ASP  16          1HB       ASP  16  -3.141  14.794   3.058
  120    H    PHE  17           H        PHE  17  -3.532  13.967  -1.438
  121    HA   PHE  17           HA       PHE  17  -2.762  11.814  -2.567
  122   1HB   PHE  17          2HB       PHE  17  -1.650  14.484  -3.332
  123   2HB   PHE  17          1HB       PHE  17  -1.432  13.051  -4.316
  124    HD1  PHE  17           HD2      PHE  17  -4.550  12.213  -3.116
  125    HD2  PHE  17           HD1      PHE  17  -2.683  15.198  -5.520
  126    HE1  PHE  17           HE2      PHE  17  -6.624  12.545  -4.306
  127    HE2  PHE  17           HE1      PHE  17  -4.792  15.543  -6.710
  128    HZ   PHE  17           HZ       PHE  17  -6.773  14.226  -6.118
  129    H    ILE  18           H        ILE  18   0.147  13.479  -2.139
  130    HA   ILE  18           HA       ILE  18   2.443  12.756  -2.408
  131    HB   ILE  18           HB       ILE  18   3.190  11.455  -0.427
  132   1HG1  ILE  18          2HG1      ILE  18   1.310  10.496   1.117
  133   2HG1  ILE  18          1HG1      ILE  18   0.429  10.329  -0.373
  134   1HG2  ILE  18          2HG2      ILE  18   2.462  13.687   0.097
  135   2HG2  ILE  18          1HG2      ILE  18   0.825  13.118   0.357
  136   3HG2  ILE  18          3HG2      ILE  18   2.109  12.588   1.411
  137   1HD1  ILE  18          1HD1      ILE  18   3.261   9.225   0.084
  138   2HD1  ILE  18          3HD1      ILE  18   1.801   8.261   0.143
  139   3HD1  ILE  18          2HD1      ILE  18   2.307   8.979  -1.369
  140    H    LEU  19           H        LEU  19   3.991  10.812  -3.148
  141    HA   LEU  19           HA       LEU  19   2.320   9.075  -4.902
  142   1HB   LEU  19          2HB       LEU  19   3.887   9.490  -6.391
  143   2HB   LEU  19          1HB       LEU  19   4.562  10.623  -5.285
  144    HG   LEU  19           HG       LEU  19   5.979   8.599  -4.300
  145   1HD1  LEU  19          3HD1      LEU  19   5.273   7.388  -7.020
  146   2HD1  LEU  19          2HD1      LEU  19   6.464   6.776  -5.894
  147   3HD1  LEU  19          1HD1      LEU  19   4.778   6.718  -5.488
  148   1HD2  LEU  19          1HD2      LEU  19   6.565   9.522  -7.142
  149   2HD2  LEU  19          3HD2      LEU  19   7.026  10.368  -5.672
  150   3HD2  LEU  19          2HD2      LEU  19   7.719   8.804  -6.029
  151    H    LYS  20           H        LYS  20   2.112   7.046  -4.863
  152    HA   LYS  20           HA       LYS  20   3.798   5.374  -3.072
  153   1HB   LYS  20          2HB       LYS  20   0.751   5.333  -3.323
  154   2HB   LYS  20          1HB       LYS  20   1.627   4.124  -2.421
  155   1HG   LYS  20          2HG       LYS  20   2.599   6.601  -1.394
  156   2HG   LYS  20          1HG       LYS  20   0.966   6.977  -1.821
  157   1HD   LYS  20          2HD       LYS  20   0.968   6.225   0.559
  158   2HD   LYS  20          1HD       LYS  20   0.040   5.149  -0.442
  159   1HE   LYS  20          2HE       LYS  20   1.540   3.941   1.197
  160   2HE   LYS  20          1HE       LYS  20   1.820   3.488  -0.473
  161   1HZ   LYS  20          3HZ       LYS  20   3.336   5.800   0.052
  162   2HZ   LYS  20          2HZ       LYS  20   3.695   4.669   1.283
  163   3HZ   LYS  20          1HZ       LYS  20   3.890   4.274  -0.358
  164    H    TRP  21           H        TRP  21   3.573   2.872  -3.680
  165    HA   TRP  21           HA       TRP  21   3.162   2.693  -6.634
  166   1HB   TRP  21          2HB       TRP  21   5.081   1.162  -4.784
  167   2HB   TRP  21          1HB       TRP  21   4.750   0.669  -6.428
  168    HD1  TRP  21           HD1      TRP  21   6.244   3.673  -4.472
  169    HE1  TRP  21           HE1      TRP  21   7.825   4.798  -6.114
  170    HE3  TRP  21           HE3      TRP  21   5.372   0.922  -8.575
  171    HZ2  TRP  21           HZ2      TRP  21   8.724   4.551  -8.834
  172    HZ3  TRP  21           HZ3      TRP  21   6.589   1.297 -10.678
  173    HH2  TRP  21           HH2      TRP  21   8.280   3.104 -10.828
  174    H    TYR  22           H        TYR  22   1.735   1.114  -7.256
  175    HA   TYR  22           HA       TYR  22   0.682  -0.739  -5.117
  176   1HB   TYR  22          2HB       TYR  22  -1.547  -0.050  -5.533
  177   2HB   TYR  22          1HB       TYR  22  -0.767   1.422  -6.023
  178    HD1  TYR  22           HD1      TYR  22  -0.491   1.940  -8.491
  179    HD2  TYR  22           HD2      TYR  22  -2.571  -1.507  -7.123
  180    HE1  TYR  22           HE1      TYR  22  -1.570   1.635 -10.730
  181    HE2  TYR  22           HE2      TYR  22  -3.607  -1.776  -9.356
  182    HH   TYR  22           HH       TYR  22  -2.977  -0.950 -11.842
  183    H    TYR  23           H        TYR  23   0.053  -2.757  -5.890
  184    HA   TYR  23           HA       TYR  23   1.487  -3.653  -8.273
  185   1HB   TYR  23          2HB       TYR  23   1.478  -4.882  -6.094
  186   2HB   TYR  23          1HB       TYR  23  -0.248  -5.164  -6.297
  187    HD1  TYR  23           HD1      TYR  23  -1.146  -6.554  -8.028
  188    HD2  TYR  23           HD2      TYR  23   3.044  -6.104  -7.584
  189    HE1  TYR  23           HE1      TYR  23  -0.797  -8.494  -9.502
  190    HE2  TYR  23           HE2      TYR  23   3.384  -8.057  -9.064
  191    HH   TYR  23           HH       TYR  23   2.448  -9.395 -10.487
  192    H    ASP  24           H        ASP  24   0.666  -3.770 -10.132
  193    HA   ASP  24           HA       ASP  24  -2.209  -3.510 -10.694
  194   1HB   ASP  24          2HB       ASP  24  -0.775  -1.860 -11.495
  195   2HB   ASP  24          1HB       ASP  24   0.272  -3.030 -12.305
  196    HA   PRO  25           HA       PRO  25  -1.899  -8.103 -11.703
  197   1HB   PRO  25          2HB       PRO  25  -4.701  -8.159 -12.058
  198   2HB   PRO  25          1HB       PRO  25  -3.835  -8.552 -10.572
  199   1HG   PRO  25          2HG       PRO  25  -4.946  -5.808 -11.392
  200   2HG   PRO  25          1HG       PRO  25  -5.195  -6.659  -9.857
  201   1HD   PRO  25          2HD       PRO  25  -3.383  -4.807  -9.905
  202   2HD   PRO  25          1HD       PRO  25  -2.867  -6.359  -9.239
  203    H    ASN  26           H        ASN  26  -2.899  -5.369 -13.588
  204    HA   ASN  26           HA       ASN  26  -3.491  -6.869 -16.034
  205   1HB   ASN  26          2HB       ASN  26  -4.328  -4.484 -15.513
  206   2HB   ASN  26          1HB       ASN  26  -2.711  -3.897 -15.738
  207   1HD2  ASN  26          2HD2      ASN  26  -3.425  -5.181 -19.297
  208   2HD2  ASN  26          1HD2      ASN  26  -2.675  -6.151 -18.108
  209    H    THR  27           H        THR  27  -0.711  -5.197 -14.766
  210    HA   THR  27           HA       THR  27   1.080  -6.128 -17.001
  211    HB   THR  27           HB       THR  27   2.869  -4.767 -15.781
  212    HG1  THR  27           HG1      THR  27   0.731  -3.949 -14.121
  213   1HG2  THR  27          3HG2      THR  27   0.231  -3.216 -15.943
  214   2HG2  THR  27          2HG2      THR  27   1.841  -2.543 -15.909
  215   3HG2  THR  27          1HG2      THR  27   1.292  -3.458 -17.305
  216    H    LYS  28           H        LYS  28   0.837  -6.186 -13.580
  217    HA   LYS  28           HA       LYS  28   0.920  -7.779 -12.041
  218   1HB   LYS  28          2HB       LYS  28   2.547  -9.446 -14.130
  219   2HB   LYS  28          1HB       LYS  28   2.096 -10.042 -12.557
  220   1HG   LYS  28          2HG       LYS  28  -0.160  -9.973 -12.875
  221   2HG   LYS  28          1HG       LYS  28  -0.141  -8.843 -14.183
  222   1HD   LYS  28          2HD       LYS  28   1.368 -11.242 -15.040
  223   2HD   LYS  28          1HD       LYS  28  -0.086 -11.808 -14.266
  224   1HE   LYS  28          2HE       LYS  28  -0.399 -11.588 -16.758
  225   2HE   LYS  28          1HE       LYS  28  -1.517 -10.547 -15.899
  226   1HZ   LYS  28          3HZ       LYS  28   0.945  -9.209 -16.110
  227   2HZ   LYS  28          2HZ       LYS  28   0.583  -9.733 -17.664
  228   3HZ   LYS  28          1HZ       LYS  28  -0.490  -8.730 -16.822
  229    H    SER  29           H        SER  29   2.523  -5.650 -12.444
  230    HA   SER  29           HA       SER  29   4.730  -6.263 -10.568
  231   1HB   SER  29          2HB       SER  29   5.706  -5.931 -12.901
  232   2HB   SER  29          1HB       SER  29   4.913  -4.349 -12.993
  233    HG   SER  29           HG       SER  29   7.217  -5.001 -11.657
  234    H    CYS  30           H        CYS  30   5.299  -3.276 -10.605
  235    HA   CYS  30           HA       CYS  30   2.731  -2.286  -9.417
  236   1HB   CYS  30          2HB       CYS  30   5.516  -1.945  -8.322
  237   2HB   CYS  30          1HB       CYS  30   4.045  -1.307  -7.630
  238    H    ALA  31           H        ALA  31   2.197  -0.189  -9.564
  239    HA   ALA  31           HA       ALA  31   3.838   1.595 -11.299
  240   1HB   ALA  31          1HB       ALA  31   0.800   1.170 -11.275
  241   2HB   ALA  31          3HB       ALA  31   1.628   2.325 -12.311
  242   3HB   ALA  31          2HB       ALA  31   1.895   0.602 -12.516
  243    H    ARG  32           H        ARG  32   3.364   3.731 -11.021
  244    HA   ARG  32           HA       ARG  32   3.291   4.629  -8.261
  245   1HB   ARG  32          2HB       ARG  32   3.814   5.950 -10.878
  246   2HB   ARG  32          1HB       ARG  32   4.107   6.773  -9.325
  247   1HG   ARG  32          2HG       ARG  32   5.999   5.454  -8.881
  248   2HG   ARG  32          1HG       ARG  32   5.413   4.093  -9.791
  249   1HD   ARG  32          2HD       ARG  32   7.239   5.007 -11.091
  250   2HD   ARG  32          1HD       ARG  32   5.777   5.462 -11.934
  251    HE   ARG  32           HE       ARG  32   7.243   7.324 -10.030
  252   1HH1  ARG  32          1HH2      ARG  32   4.592   7.853 -10.877
  253   2HH1  ARG  32          2HH2      ARG  32   4.761   9.027 -12.144
  254   1HH2  ARG  32          2HH1      ARG  32   8.106   8.070 -12.355
  255   2HH2  ARG  32          1HH1      ARG  32   6.955   9.160 -13.049
  256    H    PHE  33           H        PHE  33   1.549   5.516  -7.270
  257    HA   PHE  33           HA       PHE  33  -0.312   7.218  -8.888
  258   1HB   PHE  33          2HB       PHE  33  -2.166   5.824  -8.535
  259   2HB   PHE  33          1HB       PHE  33  -0.919   4.604  -8.506
  260    HD1  PHE  33           HD2      PHE  33  -0.088   3.737  -6.283
  261    HD2  PHE  33           HD1      PHE  33  -3.407   6.371  -6.626
  262    HE1  PHE  33           HE2      PHE  33  -0.805   3.127  -4.009
  263    HE2  PHE  33           HE1      PHE  33  -4.130   5.782  -4.394
  264    HZ   PHE  33           HZ       PHE  33  -2.848   4.186  -3.060
  265    H    TRP  34           H        TRP  34  -2.015   8.234  -7.386
  266    HA   TRP  34           HA       TRP  34  -0.736   9.350  -4.926
  267   1HB   TRP  34          2HB       TRP  34  -2.727  10.572  -6.984
  268   2HB   TRP  34          1HB       TRP  34  -2.135  11.490  -5.714
  269    HD1  TRP  34           HD1      TRP  34  -1.731  10.686  -8.945
  270    HE1  TRP  34           HE1      TRP  34   0.489  11.685  -9.914
  271    HE3  TRP  34           HE3      TRP  34   0.461  11.878  -4.752
  272    HZ2  TRP  34           HZ2      TRP  34   2.903  12.872  -8.921
  273    HZ3  TRP  34           HZ3      TRP  34   2.707  12.980  -4.651
  274    HH2  TRP  34           HH2      TRP  34   3.923  13.470  -6.746
  275    H    TYR  35           H        TYR  35  -2.143   9.498  -3.028
  276    HA   TYR  35           HA       TYR  35  -4.947   8.542  -3.507
  277   1HB   TYR  35          2HB       TYR  35  -4.780   6.741  -1.928
  278   2HB   TYR  35          1HB       TYR  35  -3.236   6.734  -2.745
  279    HD1  TYR  35           HD2      TYR  35  -1.397   8.340  -1.627
  280    HD2  TYR  35           HD1      TYR  35  -4.671   6.502   0.400
  281    HE1  TYR  35           HE2      TYR  35  -0.205   8.485   0.503
  282    HE2  TYR  35           HE1      TYR  35  -3.421   6.664   2.520
  283    HH   TYR  35           HH       TYR  35  -1.016   8.633   2.973
  284    H    GLY  36           H        GLY  36  -6.413   8.674  -1.680
  285   1HA   GLY  36          2HA       GLY  36  -6.117  11.384  -0.372
  286   2HA   GLY  36          1HA       GLY  36  -7.646  10.569  -0.670
  287    H    GLY  37           H        GLY  37  -4.743  10.448   1.095
  288   1HA   GLY  37          2HA       GLY  37  -4.227   8.918   2.994
  289   2HA   GLY  37          1HA       GLY  37  -4.876  10.411   3.621
  290    H    CYS  38           H        CYS  38  -7.361  10.292   3.558
  291    HA   CYS  38           HA       CYS  38  -8.105   8.351   5.582
  292   1HB   CYS  38          2HB       CYS  38  -9.904  10.215   4.021
  293   2HB   CYS  38          1HB       CYS  38 -10.208   9.567   5.604
  294    H    GLY  39           H        GLY  39  -7.493   6.541   3.963
  295   1HA   GLY  39          2HA       GLY  39  -9.056   4.528   3.546
  296   2HA   GLY  39          1HA       GLY  39  -9.968   5.582   2.509
  297    H    GLY  40           H        GLY  40  -9.277   3.175   1.887
  298   1HA   GLY  40          2HA       GLY  40  -8.780   2.656  -0.610
  299   2HA   GLY  40          1HA       GLY  40  -7.152   3.237  -0.231
  300    H    ASN  41           H        ASN  41  -7.169   0.750  -1.177
  301    HA   ASN  41           HA       ASN  41  -7.331  -1.147   1.134
  302   1HB   ASN  41          2HB       ASN  41  -7.360  -2.887  -0.614
  303   2HB   ASN  41          1HB       ASN  41  -8.451  -1.596  -1.064
  304   1HD2  ASN  41          2HD2      ASN  41  -6.864  -1.421  -4.135
  305   2HD2  ASN  41          1HD2      ASN  41  -8.311  -1.414  -3.254
  306    H    GLU  42           H        GLU  42  -5.778  -2.859   1.358
  307    HA   GLU  42           HA       GLU  42  -3.329  -2.294   2.346
  308   1HB   GLU  42          2HB       GLU  42  -3.781  -4.789   0.708
  309   2HB   GLU  42          1HB       GLU  42  -2.809  -4.643   2.159
  310   1HG   GLU  42          2HG       GLU  42  -4.713  -5.498   3.215
  311   2HG   GLU  42          1HG       GLU  42  -5.373  -3.889   3.090
  312    H    ASN  43           H        ASN  43  -3.861  -2.895  -0.984
  313    HA   ASN  43           HA       ASN  43  -1.093  -2.950  -1.884
  314   1HB   ASN  43          2HB       ASN  43  -2.999  -4.043  -2.896
  315   2HB   ASN  43          1HB       ASN  43  -3.759  -2.534  -3.345
  316   1HD2  ASN  43          2HD2      ASN  43  -1.967  -4.010  -6.229
  317   2HD2  ASN  43          1HD2      ASN  43  -2.938  -4.751  -5.032
  318    H    LYS  44           H        LYS  44  -0.480  -1.189  -0.689
  319    HA   LYS  44           HA       LYS  44  -0.125   1.299  -2.248
  320   1HB   LYS  44          2HB       LYS  44  -1.766   1.015   0.237
  321   2HB   LYS  44          1HB       LYS  44  -0.733   2.419   0.267
  322   1HG   LYS  44          2HG       LYS  44  -1.791   3.445  -1.470
  323   2HG   LYS  44          1HG       LYS  44  -2.124   1.982  -2.356
  324   1HD   LYS  44          2HD       LYS  44  -3.787   1.791  -0.032
  325   2HD   LYS  44          1HD       LYS  44  -3.842   3.484  -0.455
  326   1HE   LYS  44          2HE       LYS  44  -5.569   2.396  -1.684
  327   2HE   LYS  44          1HE       LYS  44  -4.355   2.776  -2.886
  328   1HZ   LYS  44          2HZ       LYS  44  -3.894   0.235  -1.535
  329   2HZ   LYS  44          1HZ       LYS  44  -5.328   0.265  -2.388
  330   3HZ   LYS  44          3HZ       LYS  44  -3.887   0.521  -3.181
  331    H    PHE  45           H        PHE  45   2.073   0.732  -2.462
  332    HA   PHE  45           HA       PHE  45   3.819   0.731  -0.048
  333   1HB   PHE  45          2HB       PHE  45   4.347  -0.027  -2.949
  334   2HB   PHE  45          1HB       PHE  45   5.402  -0.399  -1.611
  335    HD1  PHE  45           HD2      PHE  45   4.565  -1.847   0.230
  336    HD2  PHE  45           HD1      PHE  45   2.465  -1.470  -3.443
  337    HE1  PHE  45           HE2      PHE  45   3.376  -3.942   0.709
  338    HE2  PHE  45           HE1      PHE  45   1.275  -3.566  -2.977
  339    HZ   PHE  45           HZ       PHE  45   1.709  -4.799  -0.915
  340    H    GLY  46           H        GLY  46   5.963   1.581  -0.463
  341   1HA   GLY  46          2HA       GLY  46   6.000   4.498  -1.173
  342   2HA   GLY  46          1HA       GLY  46   7.218   3.624  -0.235
  343    H    SER  47           H        SER  47   7.666   1.536  -2.144
  344    HA   SER  47           HA       SER  47   8.779   2.970  -4.494
  345   1HB   SER  47          2HB       SER  47  10.941   1.848  -4.278
  346   2HB   SER  47          1HB       SER  47  10.566   2.521  -2.681
  347    HG   SER  47           HG       SER  47   9.722   0.553  -2.056
  348    H    GLN  48           H        GLN  48   9.322   1.708  -6.303
  349    HA   GLN  48           HA       GLN  48   7.386  -0.187  -7.105
  350   1HB   GLN  48          2HB       GLN  48   8.864   1.128  -8.649
  351   2HB   GLN  48          1HB       GLN  48  10.255   0.229  -8.117
  352   1HG   GLN  48          2HG       GLN  48   7.870  -1.144  -9.474
  353   2HG   GLN  48          1HG       GLN  48   9.252  -0.572 -10.381
  354   1HE2  GLN  48          2HE2      GLN  48   9.600  -4.187  -9.247
  355   2HE2  GLN  48          1HE2      GLN  48   8.200  -3.427  -9.828
  356    H    LYS  49           H        LYS  49  10.663  -0.801  -6.047
  357    HA   LYS  49           HA       LYS  49  10.409  -3.611  -6.139
  358   1HB   LYS  49          2HB       LYS  49  12.571  -2.046  -5.977
  359   2HB   LYS  49          1HB       LYS  49  12.282  -2.051  -4.255
  360   1HG   LYS  49          2HG       LYS  49  13.156  -4.110  -3.975
  361   2HG   LYS  49          1HG       LYS  49  12.140  -4.824  -5.184
  362   1HD   LYS  49          2HD       LYS  49  14.916  -3.558  -5.522
  363   2HD   LYS  49          1HD       LYS  49  14.434  -5.188  -5.928
  364   1HE   LYS  49          2HE       LYS  49  13.940  -2.656  -7.520
  365   2HE   LYS  49          1HE       LYS  49  14.680  -4.163  -8.039
  366   1HZ   LYS  49          3HZ       LYS  49  12.091  -4.740  -7.072
  367   2HZ   LYS  49          2HZ       LYS  49  11.925  -3.499  -8.155
  368   3HZ   LYS  49          1HZ       LYS  49  12.559  -4.958  -8.601
  369    H    GLU  50           H        GLU  50   9.883  -1.452  -3.332
  370    HA   GLU  50           HA       GLU  50   9.471  -3.344  -1.364
  371   1HB   GLU  50          2HB       GLU  50   9.546  -1.052  -1.013
  372   2HB   GLU  50          1HB       GLU  50   8.236  -0.759  -2.155
  373   1HG   GLU  50          2HG       GLU  50   6.679  -1.944  -0.426
  374   2HG   GLU  50          1HG       GLU  50   8.011  -1.811   0.702
  375    H    CYS  51           H        CYS  51   7.053  -1.973  -3.450
  376    HA   CYS  51           HA       CYS  51   4.827  -3.677  -2.895
  377   1HB   CYS  51          2HB       CYS  51   4.737  -1.544  -4.173
  378   2HB   CYS  51          1HB       CYS  51   5.665  -2.254  -5.448
  379    H    GLU  52           H        GLU  52   7.162  -3.944  -5.554
  380    HA   GLU  52           HA       GLU  52   6.330  -6.365  -6.707
  381   1HB   GLU  52          2HB       GLU  52   8.000  -4.820  -7.630
  382   2HB   GLU  52          1HB       GLU  52   8.999  -5.016  -6.221
  383   1HG   GLU  52          2HG       GLU  52   9.151  -7.600  -7.023
  384   2HG   GLU  52          1HG       GLU  52   8.697  -6.922  -8.576
  385    H    LYS  53           H        LYS  53   8.565  -5.959  -4.016
  386    HA   LYS  53           HA       LYS  53   8.798  -8.818  -3.772
  387   1HB   LYS  53          2HB       LYS  53  10.255  -6.578  -2.877
  388   2HB   LYS  53          1HB       LYS  53   9.450  -7.032  -1.411
  389   1HG   LYS  53          2HG       LYS  53  11.687  -8.211  -1.584
  390   2HG   LYS  53          1HG       LYS  53  10.337  -9.317  -1.482
  391   1HD   LYS  53          2HD       LYS  53  11.995 -10.000  -3.262
  392   2HD   LYS  53          1HD       LYS  53  10.424  -9.814  -3.929
  393   1HE   LYS  53          2HE       LYS  53  11.339  -7.331  -4.473
  394   2HE   LYS  53          1HE       LYS  53  12.897  -8.129  -4.261
  395   1HZ   LYS  53          3HZ       LYS  53  11.190  -9.793  -5.773
  396   2HZ   LYS  53          2HZ       LYS  53  11.242  -8.268  -6.518
  397   3HZ   LYS  53          1HZ       LYS  53  12.612  -9.249  -6.223
  398    H    VAL  54           H        VAL  54   6.139  -7.161  -2.980
  399    HA   VAL  54           HA       VAL  54   5.413  -8.914  -0.680
  400    HB   VAL  54           HB       VAL  54   4.320  -6.342  -1.912
  401   1HG1  VAL  54          2HG1      VAL  54   3.284  -7.974   0.506
  402   2HG1  VAL  54          1HG1      VAL  54   2.645  -6.414   0.026
  403   3HG1  VAL  54          3HG1      VAL  54   2.424  -7.812  -1.013
  404   1HG2  VAL  54          3HG2      VAL  54   5.503  -6.979   0.840
  405   2HG2  VAL  54          2HG2      VAL  54   6.311  -6.118  -0.456
  406   3HG2  VAL  54          1HG2      VAL  54   4.928  -5.399   0.329
  407    H    CYS  55           H        CYS  55   4.492  -7.890  -3.859
  408    HA   CYS  55           HA       CYS  55   2.539 -10.153  -4.164
  409   1HB   CYS  55          2HB       CYS  55   3.016  -7.608  -5.714
  410   2HB   CYS  55          1HB       CYS  55   1.886  -8.836  -6.244
  411    H    ALA  56           H        ALA  56   5.391  -8.887  -5.752
  412    HA   ALA  56           HA       ALA  56   5.491 -11.145  -7.686
  413   1HB   ALA  56          3HB       ALA  56   5.785  -8.826  -8.506
  414   2HB   ALA  56          2HB       ALA  56   7.166  -8.629  -7.445
  415   3HB   ALA  56          1HB       ALA  56   7.258  -9.767  -8.757
  416    HA   PRO  57           HA       PRO  57   8.518 -12.983  -4.638
  417   1HB   PRO  57          2HB       PRO  57   8.136 -15.575  -5.444
  418   2HB   PRO  57          1HB       PRO  57   7.038 -14.750  -4.329
  419   1HG   PRO  57          2HG       PRO  57   6.804 -14.892  -7.396
  420   2HG   PRO  57          1HG       PRO  57   5.605 -15.464  -6.226
  421   1HD   PRO  57          2HD       PRO  57   5.292 -13.025  -7.204
  422   2HD   PRO  57          1HD       PRO  57   5.171 -13.179  -5.441
  423    H    VAL  58           HN       VAL  58   9.779 -11.629  -6.223
  424    HA   VAL  58           HA       VAL  58  11.898 -13.248  -7.492
  425    HB   VAL  58           HB       VAL  58  12.009 -11.391  -9.355
  426   1HG1  VAL  58          3HG1      VAL  58  10.714 -13.509  -9.773
  427   2HG1  VAL  58          2HG1      VAL  58   9.284 -12.761  -9.091
  428   3HG1  VAL  58          1HG1      VAL  58   9.967 -12.140 -10.589
  429   1HG2  VAL  58          2HG2      VAL  58   9.387 -10.472  -8.115
  430   2HG2  VAL  58          1HG2      VAL  58  10.911  -9.599  -8.093
  431   3HG2  VAL  58          3HG2      VAL  58  10.084  -9.868  -9.609
   
  No H/Q in entry =         431
  Start of MODEL    3
    1   1H    GLU   1          1H        GLU   1  -5.155 -15.630  -2.807
    2   2H    GLU   1          3H        GLU   1  -5.263 -16.775  -4.017
    3   3H    GLU   1          2H        GLU   1  -4.529 -17.201  -2.605
    4    HA   GLU   1           HA       GLU   1  -2.537 -16.604  -3.349
    5   1HB   GLU   1          2HB       GLU   1  -4.136 -15.998  -5.890
    6   2HB   GLU   1          1HB       GLU   1  -2.385 -16.063  -5.853
    7   1HG   GLU   1          2HG       GLU   1  -3.663 -18.299  -6.517
    8   2HG   GLU   1          1HG       GLU   1  -2.402 -18.473  -5.318
    9    H    THR   2           H        THR   2  -1.866 -14.861  -2.085
   10    HA   THR   2           HA       THR   2  -1.812 -12.583  -1.274
   11    HB   THR   2           HB       THR   2  -0.172 -12.542  -3.904
   12    HG1  THR   2           HG1      THR   2   1.244 -13.263  -1.963
   13   1HG2  THR   2          1HG2      THR   2   0.419 -11.490  -1.066
   14   2HG2  THR   2          3HG2      THR   2   1.404 -11.297  -2.503
   15   3HG2  THR   2          2HG2      THR   2  -0.111 -10.439  -2.372
   16    H    ASP   3           H        ASP   3  -3.973 -12.897  -2.437
   17    HA   ASP   3           HA       ASP   3  -5.169 -11.651  -4.393
   18   1HB   ASP   3          2HB       ASP   3  -5.991 -11.825  -1.417
   19   2HB   ASP   3          1HB       ASP   3  -7.152 -11.835  -2.736
   20    H    ILE   4           H        ILE   4  -3.891  -9.663  -2.020
   21    HA   ILE   4           HA       ILE   4  -5.270  -7.274  -2.554
   22    HB   ILE   4           HB       ILE   4  -3.466  -6.106  -1.517
   23   1HG1  ILE   4          2HG1      ILE   4  -1.237  -7.564  -1.029
   24   2HG1  ILE   4          1HG1      ILE   4  -1.674  -8.341  -2.534
   25   1HG2  ILE   4          3HG2      ILE   4  -4.632  -7.565   0.018
   26   2HG2  ILE   4          2HG2      ILE   4  -3.540  -8.904  -0.302
   27   3HG2  ILE   4          1HG2      ILE   4  -2.964  -7.452   0.493
   28   1HD1  ILE   4          1HD1      ILE   4  -1.304  -5.326  -2.124
   29   2HD1  ILE   4          3HD1      ILE   4  -0.162  -6.381  -2.925
   30   3HD1  ILE   4          2HD1      ILE   4  -1.716  -6.057  -3.662
   31    H    CYS   5           H        CYS   5  -2.788  -8.894  -4.175
   32    HA   CYS   5           HA       CYS   5  -1.860  -7.122  -6.169
   33   1HB   CYS   5          2HB       CYS   5  -2.278 -10.094  -6.236
   34   2HB   CYS   5          1HB       CYS   5  -1.198  -9.229  -7.303
   35    H    LYS   6           H        LYS   6  -4.915  -8.431  -5.829
   36    HA   LYS   6           HA       LYS   6  -5.668  -8.084  -8.710
   37   1HB   LYS   6          2HB       LYS   6  -7.048  -9.538  -6.419
   38   2HB   LYS   6          1HB       LYS   6  -7.704  -9.409  -8.031
   39   1HG   LYS   6          2HG       LYS   6  -5.732 -10.620  -8.978
   40   2HG   LYS   6          1HG       LYS   6  -5.031 -10.769  -7.378
   41   1HD   LYS   6          2HD       LYS   6  -7.873 -11.768  -7.992
   42   2HD   LYS   6          1HD       LYS   6  -6.513 -12.807  -8.301
   43   1HE   LYS   6          2HE       LYS   6  -6.761 -11.537  -5.565
   44   2HE   LYS   6          1HE       LYS   6  -7.852 -12.846  -5.956
   45   1HZ   LYS   6          2HZ       LYS   6  -5.284 -13.643  -6.878
   46   2HZ   LYS   6          1HZ       LYS   6  -5.102 -13.158  -5.269
   47   3HZ   LYS   6          3HZ       LYS   6  -6.233 -14.260  -5.591
   48    H    LEU   7           H        LEU   7  -5.459  -6.005  -6.405
   49    HA   LEU   7           HA       LEU   7  -8.152  -5.002  -6.433
   50   1HB   LEU   7          2HB       LEU   7  -5.617  -4.100  -5.027
   51   2HB   LEU   7          1HB       LEU   7  -7.147  -3.316  -4.750
   52    HG   LEU   7           HG       LEU   7  -6.557  -6.269  -4.221
   53   1HD1  LEU   7          3HD1      LEU   7  -6.847  -3.865  -2.339
   54   2HD1  LEU   7          2HD1      LEU   7  -6.601  -5.514  -1.809
   55   3HD1  LEU   7          1HD1      LEU   7  -5.348  -4.683  -2.698
   56   1HD2  LEU   7          3HD2      LEU   7  -8.925  -4.489  -3.430
   57   2HD2  LEU   7          2HD2      LEU   7  -8.995  -5.760  -4.645
   58   3HD2  LEU   7          1HD2      LEU   7  -8.710  -6.167  -2.967
   59    HA   PRO   8           HA       PRO   8  -7.069  -1.235  -8.877
   60   1HB   PRO   8          2HB       PRO   8  -8.769   0.557  -7.746
   61   2HB   PRO   8          1HB       PRO   8  -9.405  -0.757  -8.748
   62   1HG   PRO   8          2HG       PRO   8  -9.013  -0.776  -5.692
   63   2HG   PRO   8          1HG       PRO   8 -10.540  -0.992  -6.557
   64   1HD   PRO   8          2HD       PRO   8  -9.125  -3.163  -5.825
   65   2HD   PRO   8          1HD       PRO   8  -9.821  -3.144  -7.463
   66    H    LYS   9           H        LYS   9  -6.694   1.047  -8.127
   67    HA   LYS   9           HA       LYS   9  -4.227   1.023  -6.549
   68   1HB   LYS   9          2HB       LYS   9  -5.967   3.301  -7.654
   69   2HB   LYS   9          1HB       LYS   9  -4.407   3.572  -6.918
   70   1HG   LYS   9          2HG       LYS   9  -3.256   2.236  -8.587
   71   2HG   LYS   9          1HG       LYS   9  -4.754   1.680  -9.298
   72   1HD   LYS   9          2HD       LYS   9  -5.291   4.119  -9.928
   73   2HD   LYS   9          1HD       LYS   9  -3.809   4.612  -9.159
   74   1HE   LYS   9          2HE       LYS   9  -3.462   4.549 -11.579
   75   2HE   LYS   9          1HE       LYS   9  -2.482   3.306 -10.813
   76   1HZ   LYS   9          2HZ       LYS   9  -5.032   2.190 -11.300
   77   2HZ   LYS   9          1HZ       LYS   9  -4.499   2.887 -12.762
   78   3HZ   LYS   9          3HZ       LYS   9  -3.555   1.762 -11.958
   79    H    ASP  10           H        ASP  10  -3.867   2.154  -4.505
   80    HA   ASP  10           HA       ASP  10  -6.270   2.075  -2.750
   81   1HB   ASP  10          2HB       ASP  10  -4.672   0.320  -2.586
   82   2HB   ASP  10          1HB       ASP  10  -3.379   1.458  -2.277
   83    H    GLU  11           H        GLU  11  -7.000   4.137  -2.328
   84    HA   GLU  11           HA       GLU  11  -5.085   6.270  -1.389
   85   1HB   GLU  11          2HB       GLU  11  -5.824   7.055  -3.550
   86   2HB   GLU  11          1HB       GLU  11  -7.418   6.386  -3.416
   87   1HG   GLU  11          2HG       GLU  11  -6.617   8.617  -1.547
   88   2HG   GLU  11          1HG       GLU  11  -6.968   8.967  -3.221
   89    H    GLY  12           H        GLY  12  -8.663   5.957  -1.064
   90   1HA   GLY  12          2HA       GLY  12  -9.258   5.405   1.480
   91   2HA   GLY  12          1HA       GLY  12  -8.393   6.875   1.786
   92    H    THR  13           H        THR  13  -9.414   8.479  -0.077
   93    HA   THR  13           HA       THR  13 -11.553   9.362  -1.014
   94    HB   THR  13           HB       THR  13 -12.764   8.656   1.752
   95    HG1  THR  13           HG1      THR  13 -12.672   6.979   0.326
   96   1HG2  THR  13          1HG2      THR  13 -14.052   9.658  -0.845
   97   2HG2  THR  13          3HG2      THR  13 -14.871   9.320   0.666
   98   3HG2  THR  13          2HG2      THR  13 -13.842  10.735   0.529
   99    H    CYS  14           H        CYS  14  -9.645  10.855  -0.643
  100    HA   CYS  14           HA       CYS  14 -10.458  13.110   1.208
  101   1HB   CYS  14          2HB       CYS  14  -7.731  12.032   0.605
  102   2HB   CYS  14          1HB       CYS  14  -7.896  13.680   1.139
  103    H    ARG  15           H        ARG  15  -8.156  13.055  -1.421
  104    HA   ARG  15           HA       ARG  15  -8.632  14.312  -3.623
  105   1HB   ARG  15          2HB       ARG  15 -10.472  15.651  -2.637
  106   2HB   ARG  15          1HB       ARG  15  -9.352  16.486  -1.598
  107   1HG   ARG  15          2HG       ARG  15  -9.099  16.568  -4.650
  108   2HG   ARG  15          1HG       ARG  15 -10.227  17.631  -3.860
  109   1HD   ARG  15          2HD       ARG  15  -7.184  17.655  -3.767
  110   2HD   ARG  15          1HD       ARG  15  -8.269  18.989  -4.064
  111    HE   ARG  15           HE       ARG  15  -7.714  17.780  -1.360
  112   1HH1  ARG  15          2HH1      ARG  15 -10.279  18.772  -2.047
  113   2HH1  ARG  15          1HH1      ARG  15 -10.355  20.295  -1.181
  114   1HH2  ARG  15          1HH2      ARG  15  -6.905  19.892  -0.933
  115   2HH2  ARG  15          2HH2      ARG  15  -8.114  21.039  -0.473
  116    H    ASP  16           H        ASP  16  -6.952  15.173  -0.692
  117    HA   ASP  16           HA       ASP  16  -4.695  16.469  -2.124
  118   1HB   ASP  16          2HB       ASP  16  -5.413  16.105   0.837
  119   2HB   ASP  16          1HB       ASP  16  -4.052  17.043   0.246
  120    H    PHE  17           H        PHE  17  -3.762  14.711  -3.167
  121    HA   PHE  17           HA       PHE  17  -2.823  12.394  -1.533
  122   1HB   PHE  17          2HB       PHE  17  -3.158  12.595  -4.529
  123   2HB   PHE  17          1HB       PHE  17  -2.912  11.095  -3.669
  124    HD1  PHE  17           HD1      PHE  17  -4.712  11.149  -1.428
  125    HD2  PHE  17           HD2      PHE  17  -5.271  12.680  -5.359
  126    HE1  PHE  17           HE1      PHE  17  -7.116  10.884  -1.189
  127    HE2  PHE  17           HE2      PHE  17  -7.703  12.411  -5.114
  128    HZ   PHE  17           HZ       PHE  17  -8.623  11.492  -3.013
  129    H    ILE  18           H        ILE  18  -0.936  11.345  -1.832
  130    HA   ILE  18           HA       ILE  18   1.387  12.950  -2.908
  131    HB   ILE  18           HB       ILE  18   1.294  12.550  -0.294
  132   1HG1  ILE  18          2HG1      ILE  18   3.406  12.947  -1.922
  133   2HG1  ILE  18          1HG1      ILE  18   3.546  12.750  -0.203
  134   1HG2  ILE  18          1HG2      ILE  18   0.598  10.105  -0.334
  135   2HG2  ILE  18          3HG2      ILE  18   2.110   9.705  -1.121
  136   3HG2  ILE  18          2HG2      ILE  18   2.107  10.353   0.504
  137   1HD1  ILE  18          2HD1      ILE  18   4.057  10.445  -2.188
  138   2HD1  ILE  18          1HD1      ILE  18   5.270  11.415  -1.397
  139   3HD1  ILE  18          3HD1      ILE  18   4.230  10.384  -0.456
  140    H    LEU  19           H        LEU  19   3.216  11.373  -3.600
  141    HA   LEU  19           HA       LEU  19   1.907   9.300  -5.258
  142   1HB   LEU  19          2HB       LEU  19   4.586  10.654  -5.380
  143   2HB   LEU  19          1HB       LEU  19   4.352   9.200  -6.289
  144    HG   LEU  19           HG       LEU  19   2.801  11.861  -6.695
  145   1HD1  LEU  19          2HD1      LEU  19   5.063  11.755  -7.700
  146   2HD1  LEU  19          1HD1      LEU  19   4.603  10.281  -8.547
  147   3HD1  LEU  19          3HD1      LEU  19   3.793  11.797  -8.908
  148   1HD2  LEU  19          3HD2      LEU  19   2.394   9.228  -8.190
  149   2HD2  LEU  19          2HD2      LEU  19   1.245   9.965  -7.088
  150   3HD2  LEU  19          1HD2      LEU  19   1.656  10.776  -8.563
  151    H    LYS  20           H        LYS  20   2.205   7.258  -5.310
  152    HA   LYS  20           HA       LYS  20   4.403   5.906  -3.852
  153   1HB   LYS  20          2HB       LYS  20   1.486   5.804  -3.096
  154   2HB   LYS  20          1HB       LYS  20   2.368   4.304  -2.952
  155   1HG   LYS  20          2HG       LYS  20   4.199   5.825  -1.723
  156   2HG   LYS  20          1HG       LYS  20   2.860   6.932  -1.508
  157   1HD   LYS  20          2HD       LYS  20   1.502   4.965  -0.564
  158   2HD   LYS  20          1HD       LYS  20   2.927   3.969  -0.722
  159   1HE   LYS  20          2HE       LYS  20   4.140   5.221   0.903
  160   2HE   LYS  20          1HE       LYS  20   2.881   6.442   1.032
  161   1HZ   LYS  20          3HZ       LYS  20   1.843   3.753   1.247
  162   2HZ   LYS  20          2HZ       LYS  20   2.942   4.068   2.484
  163   3HZ   LYS  20          1HZ       LYS  20   1.624   5.141   2.243
  164    H    TRP  21           H        TRP  21   3.901   3.333  -3.994
  165    HA   TRP  21           HA       TRP  21   3.513   2.782  -6.906
  166   1HB   TRP  21          2HB       TRP  21   5.267   1.324  -4.860
  167   2HB   TRP  21          1HB       TRP  21   5.024   0.764  -6.502
  168    HD1  TRP  21           HD1      TRP  21   6.534   3.729  -4.522
  169    HE1  TRP  21           HE1      TRP  21   8.191   4.811  -6.122
  170    HE3  TRP  21           HE3      TRP  21   5.749   0.968  -8.645
  171    HZ2  TRP  21           HZ2      TRP  21   9.195   4.510  -8.777
  172    HZ3  TRP  21           HZ3      TRP  21   7.072   1.297 -10.704
  173    HH2  TRP  21           HH2      TRP  21   8.808   3.060 -10.788
  174    H    TYR  22           H        TYR  22   2.087   1.204  -7.484
  175    HA   TYR  22           HA       TYR  22   0.888  -0.519  -5.315
  176   1HB   TYR  22          2HB       TYR  22  -1.344   0.023  -5.891
  177   2HB   TYR  22          1HB       TYR  22  -0.603   1.578  -6.133
  178    HD1  TYR  22           HD1      TYR  22   0.314   2.032  -8.602
  179    HD2  TYR  22           HD2      TYR  22  -2.569  -0.923  -7.611
  180    HE1  TYR  22           HE1      TYR  22  -0.481   1.949 -10.958
  181    HE2  TYR  22           HE2      TYR  22  -3.333  -0.991  -9.943
  182    HH   TYR  22           HH       TYR  22  -2.119  -0.326 -12.266
  183    H    TYR  23           H        TYR  23  -0.045  -2.415  -6.145
  184    HA   TYR  23           HA       TYR  23   1.405  -3.503  -8.445
  185   1HB   TYR  23          2HB       TYR  23   1.168  -4.664  -6.209
  186   2HB   TYR  23          1HB       TYR  23  -0.559  -4.766  -6.488
  187    HD1  TYR  23           HD1      TYR  23  -1.485  -6.081  -8.321
  188    HD2  TYR  23           HD2      TYR  23   2.675  -6.107  -7.540
  189    HE1  TYR  23           HE1      TYR  23  -1.244  -8.078  -9.748
  190    HE2  TYR  23           HE2      TYR  23   2.909  -8.110  -8.974
  191    HH   TYR  23           HH       TYR  23   1.940  -9.361 -10.443
  192    H    ASP  24           H        ASP  24   0.592  -3.689 -10.323
  193    HA   ASP  24           HA       ASP  24  -2.201  -2.997 -10.986
  194   1HB   ASP  24          2HB       ASP  24  -0.440  -1.625 -11.832
  195   2HB   ASP  24          1HB       ASP  24   0.344  -2.999 -12.586
  196    HA   PRO  25           HA       PRO  25  -2.351  -7.669 -11.691
  197   1HB   PRO  25          2HB       PRO  25  -5.141  -7.506 -12.065
  198   2HB   PRO  25          1HB       PRO  25  -4.302  -7.901 -10.563
  199   1HG   PRO  25          2HG       PRO  25  -5.238  -5.139 -11.509
  200   2HG   PRO  25          1HG       PRO  25  -5.465  -5.885  -9.913
  201   1HD   PRO  25          2HD       PRO  25  -3.563  -4.126 -10.177
  202   2HD   PRO  25          1HD       PRO  25  -3.160  -5.631  -9.352
  203    H    ASN  26           H        ASN  26  -2.750  -5.087 -13.829
  204    HA   ASN  26           HA       ASN  26  -3.589  -6.734 -16.166
  205   1HB   ASN  26          2HB       ASN  26  -2.622  -3.815 -16.190
  206   2HB   ASN  26          1HB       ASN  26  -3.670  -4.612 -17.346
  207   1HD2  ASN  26          2HD2      ASN  26  -5.285  -2.945 -14.172
  208   2HD2  ASN  26          1HD2      ASN  26  -3.618  -2.784 -14.492
  209    H    THR  27           H        THR  27  -0.793  -5.111 -14.968
  210    HA   THR  27           HA       THR  27   1.024  -6.178 -17.108
  211    HB   THR  27           HB       THR  27   2.805  -4.802 -15.878
  212    HG1  THR  27           HG1      THR  27   0.637  -3.889 -14.306
  213   1HG2  THR  27          3HG2      THR  27   0.199  -3.209 -16.153
  214   2HG2  THR  27          2HG2      THR  27   1.823  -2.562 -16.104
  215   3HG2  THR  27          1HG2      THR  27   1.289  -3.512 -17.484
  216    H    LYS  28           H        LYS  28   0.425  -6.207 -13.746
  217    HA   LYS  28           HA       LYS  28   0.474  -7.685 -12.116
  218   1HB   LYS  28          2HB       LYS  28   1.908  -9.516 -14.158
  219   2HB   LYS  28          1HB       LYS  28   1.362 -10.054 -12.595
  220   1HG   LYS  28          2HG       LYS  28  -0.895  -9.755 -12.927
  221   2HG   LYS  28          1HG       LYS  28  -0.744  -8.597 -14.185
  222   1HD   LYS  28          2HD       LYS  28  -0.131 -11.624 -14.641
  223   2HD   LYS  28          1HD       LYS  28  -1.691 -10.919 -14.928
  224   1HE   LYS  28          2HE       LYS  28  -0.652 -10.967 -17.076
  225   2HE   LYS  28          1HE       LYS  28  -0.590  -9.287 -16.573
  226   1HZ   LYS  28          2HZ       LYS  28   1.604 -10.619 -15.447
  227   2HZ   LYS  28          1HZ       LYS  28   1.638 -10.965 -17.113
  228   3HZ   LYS  28          3HZ       LYS  28   1.637  -9.367 -16.533
  229    H    SER  29           H        SER  29   2.260  -5.719 -12.495
  230    HA   SER  29           HA       SER  29   4.400  -6.524 -10.650
  231   1HB   SER  29          2HB       SER  29   5.391  -6.344 -12.988
  232   2HB   SER  29          1HB       SER  29   4.725  -4.703 -13.130
  233    HG   SER  29           HG       SER  29   7.011  -5.436 -11.854
  234    H    CYS  30           H        CYS  30   5.281  -3.631 -10.649
  235    HA   CYS  30           HA       CYS  30   2.791  -2.326  -9.637
  236   1HB   CYS  30          2HB       CYS  30   5.527  -2.295  -8.323
  237   2HB   CYS  30          1HB       CYS  30   4.072  -1.539  -7.740
  238    H    ALA  31           H        ALA  31   2.542  -0.183  -9.791
  239    HA   ALA  31           HA       ALA  31   4.529   1.402 -11.334
  240   1HB   ALA  31          1HB       ALA  31   1.516   1.151 -11.837
  241   2HB   ALA  31          3HB       ALA  31   2.571   2.236 -12.730
  242   3HB   ALA  31          2HB       ALA  31   2.775   0.498 -12.857
  243    H    ARG  32           H        ARG  32   3.877   3.645 -11.325
  244    HA   ARG  32           HA       ARG  32   3.596   4.623  -8.606
  245   1HB   ARG  32          2HB       ARG  32   4.317   5.866 -11.208
  246   2HB   ARG  32          1HB       ARG  32   4.446   6.730  -9.653
  247   1HG   ARG  32          2HG       ARG  32   6.189   5.244  -8.902
  248   2HG   ARG  32          1HG       ARG  32   5.855   4.062 -10.134
  249   1HD   ARG  32          2HD       ARG  32   7.854   5.206 -10.846
  250   2HD   ARG  32          1HD       ARG  32   6.560   5.766 -11.889
  251    HE   ARG  32           HE       ARG  32   7.425   7.301  -9.417
  252   1HH1  ARG  32          1HH2      ARG  32   5.089   8.025 -10.859
  253   2HH1  ARG  32          2HH2      ARG  32   5.580   9.356 -11.851
  254   1HH2  ARG  32          2HH1      ARG  32   8.865   8.335 -11.333
  255   2HH2  ARG  32          1HH1      ARG  32   7.926   9.546 -12.138
  256    H    PHE  33           H        PHE  33   1.938   5.728  -7.757
  257    HA   PHE  33           HA       PHE  33   0.093   7.256  -9.510
  258   1HB   PHE  33          2HB       PHE  33  -1.867   5.984  -9.070
  259   2HB   PHE  33          1HB       PHE  33  -0.639   4.745  -9.262
  260    HD1  PHE  33           HD1      PHE  33   0.604   4.039  -7.001
  261    HD2  PHE  33           HD2      PHE  33  -3.222   5.903  -7.174
  262    HE1  PHE  33           HE1      PHE  33   0.059   3.175  -4.764
  263    HE2  PHE  33           HE2      PHE  33  -3.749   5.040  -4.955
  264    HZ   PHE  33           HZ       PHE  33  -2.125   3.670  -3.750
  265    H    TRP  34           H        TRP  34  -1.767   8.148  -8.256
  266    HA   TRP  34           HA       TRP  34  -0.687   9.725  -6.036
  267   1HB   TRP  34          2HB       TRP  34  -3.239   9.894  -7.804
  268   2HB   TRP  34          1HB       TRP  34  -3.137  10.919  -6.444
  269    HD1  TRP  34           HD1      TRP  34  -2.865  11.119  -9.703
  270    HE1  TRP  34           HE1      TRP  34  -1.247  13.013 -10.438
  271    HE3  TRP  34           HE3      TRP  34  -0.276  11.876  -5.436
  272    HZ2  TRP  34           HZ2      TRP  34   0.779  14.608  -9.409
  273    HZ3  TRP  34           HZ3      TRP  34   1.462  13.596  -5.308
  274    HH2  TRP  34           HH2      TRP  34   2.010  14.969  -7.284
  275    H    TYR  35           H        TYR  35  -1.056   8.968  -3.919
  276    HA   TYR  35           HA       TYR  35  -3.602   7.502  -3.332
  277   1HB   TYR  35          2HB       TYR  35  -2.395   5.672  -2.819
  278   2HB   TYR  35          1HB       TYR  35  -0.982   6.426  -3.492
  279    HD1  TYR  35           HD2      TYR  35   0.527   7.745  -1.968
  280    HD2  TYR  35           HD1      TYR  35  -2.633   5.333  -0.482
  281    HE1  TYR  35           HE2      TYR  35   1.520   7.809   0.290
  282    HE2  TYR  35           HE1      TYR  35  -1.612   5.395   1.766
  283    HH   TYR  35           HH       TYR  35   0.225   7.497   2.699
  284    H    GLY  36           H        GLY  36  -1.014   9.251  -1.716
  285   1HA   GLY  36          2HA       GLY  36  -1.227  10.889   0.148
  286   2HA   GLY  36          1HA       GLY  36  -2.969  10.653   0.057
  287    H    GLY  37           H        GLY  37  -3.797   8.704   0.845
  288   1HA   GLY  37          2HA       GLY  37  -3.415   6.610   2.253
  289   2HA   GLY  37          1HA       GLY  37  -2.297   7.561   3.220
  290    H    CYS  38           H        CYS  38  -5.662   7.764   2.174
  291    HA   CYS  38           HA       CYS  38  -6.415   8.756   4.908
  292   1HB   CYS  38          2HB       CYS  38  -7.776   8.767   2.164
  293   2HB   CYS  38          1HB       CYS  38  -8.535   9.389   3.608
  294    H    GLY  39           H        GLY  39  -5.566   6.449   4.949
  295   1HA   GLY  39          2HA       GLY  39  -6.257   4.431   6.198
  296   2HA   GLY  39          1HA       GLY  39  -7.859   4.555   5.445
  297    H    GLY  40           H        GLY  40  -8.184   3.293   3.766
  298   1HA   GLY  40          2HA       GLY  40  -7.603   2.308   1.576
  299   2HA   GLY  40          1HA       GLY  40  -5.934   2.570   1.986
  300    H    ASN  41           H        ASN  41  -6.028   0.416   0.898
  301    HA   ASN  41           HA       ASN  41  -6.394  -1.851   2.834
  302   1HB   ASN  41          2HB       ASN  41  -6.674  -3.228   0.781
  303   2HB   ASN  41          1HB       ASN  41  -7.824  -1.915   0.759
  304   1HD2  ASN  41          2HD2      ASN  41  -6.479  -0.631  -2.206
  305   2HD2  ASN  41          1HD2      ASN  41  -7.716  -0.470  -1.038
  306    H    GLU  42           H        GLU  42  -4.716  -3.328   0.689
  307    HA   GLU  42           HA       GLU  42  -2.061  -2.671   1.889
  308   1HB   GLU  42          2HB       GLU  42  -2.808  -5.223   0.466
  309   2HB   GLU  42          1HB       GLU  42  -1.549  -4.996   1.656
  310   1HG   GLU  42          2HG       GLU  42  -3.465  -6.246   2.713
  311   2HG   GLU  42          1HG       GLU  42  -3.430  -4.649   3.426
  312    H    ASN  43           H        ASN  43  -3.259  -1.407  -0.702
  313    HA   ASN  43           HA       ASN  43  -0.974  -2.194  -2.487
  314   1HB   ASN  43          2HB       ASN  43  -3.299  -2.913  -2.853
  315   2HB   ASN  43          1HB       ASN  43  -3.736  -1.281  -3.259
  316   1HD2  ASN  43          2HD2      ASN  43  -2.865  -2.452  -6.542
  317   2HD2  ASN  43          1HD2      ASN  43  -4.176  -1.927  -5.591
  318    H    LYS  44           H        LYS  44  -0.364  -0.265  -0.902
  319    HA   LYS  44           HA       LYS  44   0.399   1.956  -2.717
  320   1HB   LYS  44          2HB       LYS  44  -0.253   3.632  -0.640
  321   2HB   LYS  44          1HB       LYS  44  -1.340   3.244  -1.925
  322   1HG   LYS  44          2HG       LYS  44  -2.810   2.873  -0.326
  323   2HG   LYS  44          1HG       LYS  44  -2.083   1.296  -0.323
  324   1HD   LYS  44          2HD       LYS  44  -0.991   1.582   1.728
  325   2HD   LYS  44          1HD       LYS  44  -0.919   3.328   1.581
  326   1HE   LYS  44          2HE       LYS  44  -2.654   2.768   3.276
  327   2HE   LYS  44          1HE       LYS  44  -3.447   3.411   1.845
  328   1HZ   LYS  44          3HZ       LYS  44  -3.113   0.627   1.440
  329   2HZ   LYS  44          2HZ       LYS  44  -3.843   0.765   2.906
  330   3HZ   LYS  44          1HZ       LYS  44  -4.465   1.455   1.490
  331    H    PHE  45           H        PHE  45   2.392   1.273  -2.656
  332    HA   PHE  45           HA       PHE  45   4.081   1.215  -0.224
  333   1HB   PHE  45          2HB       PHE  45   4.598   0.176  -3.078
  334   2HB   PHE  45          1HB       PHE  45   5.526  -0.126  -1.619
  335    HD1  PHE  45           HD1      PHE  45   4.363  -1.280   0.334
  336    HD2  PHE  45           HD2      PHE  45   2.650  -1.104  -3.559
  337    HE1  PHE  45           HE1      PHE  45   2.870  -3.144   0.890
  338    HE2  PHE  45           HE2      PHE  45   1.171  -2.971  -3.008
  339    HZ   PHE  45           HZ       PHE  45   1.283  -3.995  -0.769
  340    H    GLY  46           H        GLY  46   6.338   1.802  -0.405
  341   1HA   GLY  46          2HA       GLY  46   6.646   4.637  -1.227
  342   2HA   GLY  46          1HA       GLY  46   7.837   3.659  -0.366
  343    H    SER  47           H        SER  47   7.960   1.535  -2.196
  344    HA   SER  47           HA       SER  47   8.984   2.803  -4.690
  345   1HB   SER  47          2HB       SER  47  11.198   2.346  -4.226
  346   2HB   SER  47          1HB       SER  47  10.704   1.937  -2.590
  347    HG   SER  47           HG       SER  47  10.631  -0.022  -3.016
  348    H    GLN  48           H        GLN  48   9.474   1.241  -6.338
  349    HA   GLN  48           HA       GLN  48   7.256  -0.477  -6.865
  350   1HB   GLN  48          2HB       GLN  48   8.937   0.521  -8.553
  351   2HB   GLN  48          1HB       GLN  48  10.076  -0.704  -8.043
  352   1HG   GLN  48          2HG       GLN  48   8.535  -2.527  -8.770
  353   2HG   GLN  48          1HG       GLN  48   7.291  -1.357  -9.175
  354   1HE2  GLN  48          2HE2      GLN  48   8.555  -1.117 -12.379
  355   2HE2  GLN  48          1HE2      GLN  48   7.171  -1.068 -11.373
  356    H    LYS  49           H        LYS  49  10.287  -1.088  -5.255
  357    HA   LYS  49           HA       LYS  49  10.140  -3.918  -5.235
  358   1HB   LYS  49          2HB       LYS  49  11.514  -1.915  -3.353
  359   2HB   LYS  49          1HB       LYS  49  11.776  -3.647  -3.274
  360   1HG   LYS  49          2HG       LYS  49  12.563  -3.696  -5.604
  361   2HG   LYS  49          1HG       LYS  49  12.279  -1.968  -5.774
  362   1HD   LYS  49          2HD       LYS  49  13.898  -1.495  -3.933
  363   2HD   LYS  49          1HD       LYS  49  14.146  -3.220  -3.688
  364   1HE   LYS  49          2HE       LYS  49  15.083  -3.445  -5.958
  365   2HE   LYS  49          1HE       LYS  49  14.802  -1.730  -6.265
  366   1HZ   LYS  49          3HZ       LYS  49  16.127  -1.969  -3.775
  367   2HZ   LYS  49          2HZ       LYS  49  17.011  -2.893  -4.882
  368   3HZ   LYS  49          1HZ       LYS  49  16.730  -1.249  -5.176
  369    H    GLU  50           H        GLU  50   9.176  -1.650  -2.552
  370    HA   GLU  50           HA       GLU  50   8.227  -3.546  -0.804
  371   1HB   GLU  50          2HB       GLU  50   7.290  -0.976  -1.769
  372   2HB   GLU  50          1HB       GLU  50   6.388  -1.775  -0.456
  373   1HG   GLU  50          2HG       GLU  50   7.917  -0.896   0.998
  374   2HG   GLU  50          1HG       GLU  50   9.186  -1.831   0.214
  375    H    CYS  51           H        CYS  51   6.406  -2.108  -3.377
  376    HA   CYS  51           HA       CYS  51   4.079  -3.761  -3.166
  377   1HB   CYS  51          2HB       CYS  51   4.423  -1.630  -4.499
  378   2HB   CYS  51          1HB       CYS  51   5.361  -2.559  -5.626
  379    H    GLU  52           H        GLU  52   6.869  -4.251  -5.382
  380    HA   GLU  52           HA       GLU  52   6.126  -6.752  -6.427
  381   1HB   GLU  52          2HB       GLU  52   7.890  -5.392  -7.383
  382   2HB   GLU  52          1HB       GLU  52   8.708  -5.264  -5.855
  383   1HG   GLU  52          2HG       GLU  52   8.546  -8.079  -6.926
  384   2HG   GLU  52          1HG       GLU  52   9.540  -6.978  -7.850
  385    H    LYS  53           H        LYS  53   8.047  -6.199  -3.569
  386    HA   LYS  53           HA       LYS  53   8.125  -9.058  -2.987
  387   1HB   LYS  53          2HB       LYS  53   9.738  -6.900  -2.350
  388   2HB   LYS  53          1HB       LYS  53   8.776  -6.912  -0.904
  389   1HG   LYS  53          2HG       LYS  53  10.554  -8.389  -0.280
  390   2HG   LYS  53          1HG       LYS  53   9.348  -9.531  -0.829
  391   1HD   LYS  53          2HD       LYS  53  11.686  -8.454  -2.521
  392   2HD   LYS  53          1HD       LYS  53  11.585 -10.078  -1.852
  393   1HE   LYS  53          2HE       LYS  53   9.603 -10.507  -3.331
  394   2HE   LYS  53          1HE       LYS  53   9.841  -8.910  -4.038
  395   1HZ   LYS  53          2HZ       LYS  53  12.330 -10.307  -3.983
  396   2HZ   LYS  53          1HZ       LYS  53  11.169 -11.258  -4.626
  397   3HZ   LYS  53          3HZ       LYS  53  11.427  -9.745  -5.310
  398    H    VAL  54           H        VAL  54   6.070  -6.541  -1.816
  399    HA   VAL  54           HA       VAL  54   4.884  -8.135   0.313
  400    HB   VAL  54           HB       VAL  54   4.179  -5.565  -1.160
  401   1HG1  VAL  54          3HG1      VAL  54   2.929  -6.740   1.389
  402   2HG1  VAL  54          2HG1      VAL  54   2.562  -5.151   0.755
  403   3HG1  VAL  54          1HG1      VAL  54   2.103  -6.570  -0.156
  404   1HG2  VAL  54          1HG2      VAL  54   6.213  -5.454   0.316
  405   2HG2  VAL  54          3HG2      VAL  54   4.936  -4.458   0.962
  406   3HG2  VAL  54          2HG2      VAL  54   5.277  -6.027   1.675
  407    H    CYS  55           H        CYS  55   4.298  -7.583  -3.059
  408    HA   CYS  55           HA       CYS  55   1.903  -9.366  -3.053
  409   1HB   CYS  55          2HB       CYS  55   1.347  -7.324  -4.061
  410   2HB   CYS  55          1HB       CYS  55   2.857  -7.216  -4.933
  411    H    ALA  56           H        ALA  56   4.758  -8.876  -5.143
  412    HA   ALA  56           HA       ALA  56   4.272 -11.399  -6.515
  413   1HB   ALA  56          3HB       ALA  56   5.252  -9.447  -7.668
  414   2HB   ALA  56          2HB       ALA  56   6.687  -9.552  -6.662
  415   3HB   ALA  56          1HB       ALA  56   6.337 -10.836  -7.772
  416    HA   PRO  57           HA       PRO  57   6.443 -13.637  -3.198
  417   1HB   PRO  57          2HB       PRO  57   5.626 -16.148  -3.789
  418   2HB   PRO  57          1HB       PRO  57   4.479 -14.928  -3.208
  419   1HG   PRO  57          2HG       PRO  57   5.158 -15.573  -6.144
  420   2HG   PRO  57          1HG       PRO  57   3.559 -15.705  -5.396
  421   1HD   PRO  57          2HD       PRO  57   4.207 -13.426  -6.680
  422   2HD   PRO  57          1HD       PRO  57   3.391 -13.292  -5.109
  423    H    VAL  58           HN       VAL  58   8.338 -12.784  -4.579
  424    HA   VAL  58           HA       VAL  58  10.193 -15.033  -5.120
  425    HB   VAL  58           HB       VAL  58   9.023 -14.117  -7.302
  426   1HG1  VAL  58          1HG1      VAL  58   8.937 -11.737  -6.618
  427   2HG1  VAL  58          3HG1      VAL  58  10.684 -11.651  -6.689
  428   3HG1  VAL  58          2HG1      VAL  58   9.768 -11.917  -8.156
  429   1HG2  VAL  58          3HG2      VAL  58  11.220 -15.265  -7.461
  430   2HG2  VAL  58          2HG2      VAL  58  11.109 -13.966  -8.642
  431   3HG2  VAL  58          1HG2      VAL  58  12.042 -13.745  -7.173
   
  No H/Q in entry =         431
  Start of MODEL    4
    1   1H    GLU   1          1H        GLU   1  -7.848 -14.410  -3.782
    2   2H    GLU   1          3H        GLU   1  -9.391 -15.065  -4.178
    3   3H    GLU   1          2H        GLU   1  -8.936 -13.568  -4.739
    4    HA   GLU   1           HA       GLU   1  -9.764 -12.569  -2.925
    5   1HB   GLU   1          2HB       GLU   1 -10.412 -15.567  -2.309
    6   2HB   GLU   1          1HB       GLU   1 -11.213 -14.244  -1.493
    7   1HG   GLU   1          2HG       GLU   1 -11.823 -15.306  -4.221
    8   2HG   GLU   1          1HG       GLU   1 -12.742 -14.163  -3.298
    9    H    THR   2           H        THR   2  -9.116 -11.956  -0.643
   10    HA   THR   2           HA       THR   2  -7.291 -11.499   0.784
   11    HB   THR   2           HB       THR   2  -6.401 -13.716   1.969
   12    HG1  THR   2           HG1      THR   2  -6.896 -14.874  -0.097
   13   1HG2  THR   2          3HG2      THR   2  -9.418 -13.706   1.491
   14   2HG2  THR   2          2HG2      THR   2  -8.562 -14.433   2.833
   15   3HG2  THR   2          1HG2      THR   2  -8.654 -12.681   2.709
   16    H    ASP   3           H        ASP   3  -6.917 -11.445  -1.693
   17    HA   ASP   3           HA       ASP   3  -4.097 -12.076  -2.317
   18   1HB   ASP   3          2HB       ASP   3  -5.037 -12.091  -4.718
   19   2HB   ASP   3          1HB       ASP   3  -5.592 -13.392  -3.695
   20    H    ILE   4           H        ILE   4  -3.770  -9.988  -1.125
   21    HA   ILE   4           HA       ILE   4  -4.545  -7.428  -1.750
   22    HB   ILE   4           HB       ILE   4  -2.439  -6.624  -0.954
   23   1HG1  ILE   4          2HG1      ILE   4  -0.659  -8.617  -0.395
   24   2HG1  ILE   4          1HG1      ILE   4  -1.336  -9.279  -1.864
   25   1HG2  ILE   4          2HG2      ILE   4  -3.888  -7.632   0.743
   26   2HG2  ILE   4          1HG2      ILE   4  -3.163  -9.214   0.501
   27   3HG2  ILE   4          3HG2      ILE   4  -2.215  -7.906   1.173
   28   1HD1  ILE   4          1HD1      ILE   4  -0.836  -7.072  -3.044
   29   2HD1  ILE   4          3HD1      ILE   4  -0.169  -6.464  -1.544
   30   3HD1  ILE   4          2HD1      ILE   4   0.608  -7.801  -2.373
   31    H    CYS   5           H        CYS   5  -2.592  -9.384  -3.618
   32    HA   CYS   5           HA       CYS   5  -1.342  -7.733  -5.531
   33   1HB   CYS   5          2HB       CYS   5  -2.474 -10.531  -5.758
   34   2HB   CYS   5          1HB       CYS   5  -1.489  -9.804  -6.994
   35    H    LYS   6           H        LYS   6  -4.649  -8.512  -5.286
   36    HA   LYS   6           HA       LYS   6  -5.257  -7.373  -7.966
   37   1HB   LYS   6          2HB       LYS   6  -6.029  -9.525  -8.101
   38   2HB   LYS   6          1HB       LYS   6  -6.009  -9.756  -6.376
   39   1HG   LYS   6          2HG       LYS   6  -8.075  -8.753  -6.053
   40   2HG   LYS   6          1HG       LYS   6  -8.173  -8.216  -7.730
   41   1HD   LYS   6          2HD       LYS   6  -8.405 -10.459  -8.620
   42   2HD   LYS   6          1HD       LYS   6  -7.711 -11.209  -7.217
   43   1HE   LYS   6          2HE       LYS   6 -10.527 -10.017  -7.296
   44   2HE   LYS   6          1HE       LYS   6 -10.132 -11.720  -7.456
   45   1HZ   LYS   6          2HZ       LYS   6  -8.688 -10.846  -5.229
   46   2HZ   LYS   6          1HZ       LYS   6 -10.302 -10.307  -5.011
   47   3HZ   LYS   6          3HZ       LYS   6  -9.989 -11.873  -5.343
   48    H    LEU   7           H        LEU   7  -4.927  -5.918  -5.293
   49    HA   LEU   7           HA       LEU   7  -7.569  -4.809  -5.010
   50   1HB   LEU   7          2HB       LEU   7  -5.020  -4.172  -3.529
   51   2HB   LEU   7          1HB       LEU   7  -6.607  -3.567  -3.111
   52    HG   LEU   7           HG       LEU   7  -5.911  -6.508  -3.134
   53   1HD1  LEU   7          2HD1      LEU   7  -6.198  -4.441  -0.869
   54   2HD1  LEU   7          1HD1      LEU   7  -5.915  -6.152  -0.611
   55   3HD1  LEU   7          3HD1      LEU   7  -4.687  -5.156  -1.384
   56   1HD2  LEU   7          1HD2      LEU   7  -8.282  -4.937  -1.993
   57   2HD2  LEU   7          3HD2      LEU   7  -8.347  -5.968  -3.416
   58   3HD2  LEU   7          2HD2      LEU   7  -8.039  -6.669  -1.844
   59    HA   PRO   8           HA       PRO   8  -6.899  -1.698  -8.052
   60   1HB   PRO   8          2HB       PRO   8  -8.941   0.065  -7.295
   61   2HB   PRO   8          1HB       PRO   8  -9.206  -1.465  -8.148
   62   1HG   PRO   8          2HG       PRO   8  -9.184  -0.905  -5.143
   63   2HG   PRO   8          1HG       PRO   8 -10.482  -1.632  -6.070
   64   1HD   PRO   8          2HD       PRO   8  -8.789  -3.176  -4.755
   65   2HD   PRO   8          1HD       PRO   8  -9.142  -3.658  -6.438
   66    H    LYS   9           H        LYS   9  -7.161   0.662  -8.329
   67    HA   LYS   9           HA       LYS   9  -4.936   2.042  -6.882
   68   1HB   LYS   9          2HB       LYS   9  -6.219   2.288  -9.661
   69   2HB   LYS   9          1HB       LYS   9  -5.259   3.609  -9.044
   70   1HG   LYS   9          2HG       LYS   9  -3.264   2.339  -8.913
   71   2HG   LYS   9          1HG       LYS   9  -4.101   0.824  -8.924
   72   1HD   LYS   9          2HD       LYS   9  -4.123   2.670 -11.376
   73   2HD   LYS   9          1HD       LYS   9  -2.813   1.547 -11.120
   74   1HE   LYS   9          2HE       LYS   9  -4.959  -0.140 -10.780
   75   2HE   LYS   9          1HE       LYS   9  -5.659   1.024 -11.889
   76   1HZ   LYS   9          3HZ       LYS   9  -2.988   0.305 -12.794
   77   2HZ   LYS   9          2HZ       LYS   9  -3.758  -1.017 -12.400
   78   3HZ   LYS   9          1HZ       LYS   9  -4.425  -0.051 -13.584
   79    H    ASP  10           H        ASP  10  -6.803   2.146  -5.156
   80    HA   ASP  10           HA       ASP  10  -8.547   4.473  -5.615
   81   1HB   ASP  10          2HB       ASP  10  -8.649   3.053  -2.979
   82   2HB   ASP  10          1HB       ASP  10  -9.956   3.528  -4.041
   83    H    GLU  11           H        GLU  11  -8.410   6.434  -4.542
   84    HA   GLU  11           HA       GLU  11  -5.941   7.176  -3.261
   85   1HB   GLU  11          2HB       GLU  11  -7.251   9.550  -3.267
   86   2HB   GLU  11          1HB       GLU  11  -7.357   8.794  -4.827
   87   1HG   GLU  11          2HG       GLU  11  -9.629   7.754  -4.092
   88   2HG   GLU  11          1HG       GLU  11  -9.488   8.709  -2.627
   89    H    GLY  12           H        GLY  12  -9.174   7.174  -1.987
   90   1HA   GLY  12          2HA       GLY  12  -9.578   6.150   0.305
   91   2HA   GLY  12          1HA       GLY  12  -8.178   7.090   0.856
   92    H    THR  13           H        THR  13 -10.323   7.644   2.326
   93    HA   THR  13           HA       THR  13 -11.897   9.857   1.052
   94    HB   THR  13           HB       THR  13 -12.151   8.846   3.956
   95    HG1  THR  13           HG1      THR  13 -12.808   7.844   1.438
   96   1HG2  THR  13          3HG2      THR  13 -14.155   9.926   1.890
   97   2HG2  THR  13          2HG2      THR  13 -14.466   9.558   3.573
   98   3HG2  THR  13          1HG2      THR  13 -13.469  10.941   3.155
   99    H    CYS  14           H        CYS  14  -9.315  10.300   1.194
  100    HA   CYS  14           HA       CYS  14  -8.948  12.615   3.054
  101   1HB   CYS  14          2HB       CYS  14  -6.406  11.632   2.454
  102   2HB   CYS  14          1HB       CYS  14  -7.279  11.352   3.919
  103    H    ARG  15           H        ARG  15  -7.492  14.303   2.117
  104    HA   ARG  15           HA       ARG  15  -7.363  14.277  -0.902
  105   1HB   ARG  15          2HB       ARG  15  -9.149  15.906   0.797
  106   2HB   ARG  15          1HB       ARG  15  -8.100  16.953  -0.124
  107   1HG   ARG  15          2HG       ARG  15  -9.940  16.655  -1.600
  108   2HG   ARG  15          1HG       ARG  15  -8.761  15.535  -2.212
  109   1HD   ARG  15          2HD       ARG  15 -10.048  13.786  -0.603
  110   2HD   ARG  15          1HD       ARG  15 -11.325  14.956  -0.740
  111    HE   ARG  15           HE       ARG  15 -11.091  14.752  -3.287
  112   1HH1  ARG  15          2HH1      ARG  15  -9.279  12.343  -1.684
  113   2HH1  ARG  15          1HH1      ARG  15  -9.681  11.241  -2.931
  114   1HH2  ARG  15          1HH2      ARG  15 -11.790  13.159  -4.587
  115   2HH2  ARG  15          2HH2      ARG  15 -10.955  11.663  -4.441
  116    H    ASP  16           H        ASP  16  -5.401  13.816   0.849
  117    HA   ASP  16           HA       ASP  16  -3.439  16.034   0.631
  118   1HB   ASP  16          2HB       ASP  16  -2.586  14.495   2.712
  119   2HB   ASP  16          1HB       ASP  16  -3.917  15.620   2.950
  120    H    PHE  17           H        PHE  17  -4.128  14.264  -1.367
  121    HA   PHE  17           HA       PHE  17  -2.987  12.086  -2.234
  122   1HB   PHE  17          2HB       PHE  17  -2.653  14.626  -3.796
  123   2HB   PHE  17          1HB       PHE  17  -2.768  13.024  -4.476
  124    HD1  PHE  17           HD2      PHE  17  -4.913  11.665  -4.040
  125    HD2  PHE  17           HD1      PHE  17  -4.594  15.835  -3.307
  126    HE1  PHE  17           HE2      PHE  17  -7.352  11.852  -4.104
  127    HE2  PHE  17           HE1      PHE  17  -7.030  16.044  -3.365
  128    HZ   PHE  17           HZ       PHE  17  -8.416  14.033  -3.768
  129    H    ILE  18           H        ILE  18  -1.266  11.176  -1.642
  130    HA   ILE  18           HA       ILE  18   1.406  12.365  -2.396
  131    HB   ILE  18           HB       ILE  18   1.014  11.685   0.152
  132   1HG1  ILE  18          2HG1      ILE  18   3.328  10.277  -1.253
  133   2HG1  ILE  18          1HG1      ILE  18   3.279  12.001  -0.894
  134   1HG2  ILE  18          2HG2      ILE  18  -0.154   9.462  -0.369
  135   2HG2  ILE  18          1HG2      ILE  18   1.360   8.851  -1.021
  136   3HG2  ILE  18          3HG2      ILE  18   1.227   9.249   0.680
  137   1HD1  ILE  18          2HD1      ILE  18   3.019  11.504   1.516
  138   2HD1  ILE  18          1HD1      ILE  18   3.113   9.784   1.189
  139   3HD1  ILE  18          3HD1      ILE  18   4.497  10.807   0.872
  140    H    LEU  19           H        LEU  19   2.830  11.087  -3.650
  141    HA   LEU  19           HA       LEU  19   1.414   9.140  -5.354
  142   1HB   LEU  19          2HB       LEU  19   4.110  10.482  -5.471
  143   2HB   LEU  19          1HB       LEU  19   3.878   9.060  -6.437
  144    HG   LEU  19           HG       LEU  19   2.298  11.712  -6.701
  145   1HD1  LEU  19          3HD1      LEU  19   4.544  11.660  -7.782
  146   2HD1  LEU  19          2HD1      LEU  19   4.062  10.216  -8.672
  147   3HD1  LEU  19          1HD1      LEU  19   3.238  11.734  -8.946
  148   1HD2  LEU  19          3HD2      LEU  19   1.883   9.155  -8.322
  149   2HD2  LEU  19          2HD2      LEU  19   0.741   9.781  -7.150
  150   3HD2  LEU  19          1HD2      LEU  19   1.110  10.696  -8.577
  151    H    LYS  20           H        LYS  20   1.386   7.079  -5.074
  152    HA   LYS  20           HA       LYS  20   3.725   5.752  -3.738
  153   1HB   LYS  20          2HB       LYS  20   0.768   5.630  -3.107
  154   2HB   LYS  20          1HB       LYS  20   1.764   4.218  -2.769
  155   1HG   LYS  20          2HG       LYS  20   3.384   5.769  -1.475
  156   2HG   LYS  20          1HG       LYS  20   2.339   7.099  -1.846
  157   1HD   LYS  20          2HD       LYS  20   1.979   6.153   0.518
  158   2HD   LYS  20          1HD       LYS  20   0.557   6.335  -0.467
  159   1HE   LYS  20          2HE       LYS  20   0.591   4.169   0.731
  160   2HE   LYS  20          1HE       LYS  20   0.516   3.976  -1.018
  161   1HZ   LYS  20          1HZ       LYS  20   3.237   4.235  -0.176
  162   2HZ   LYS  20          3HZ       LYS  20   2.503   2.924   0.668
  163   3HZ   LYS  20          2HZ       LYS  20   2.551   2.976  -1.007
  164    H    TRP  21           H        TRP  21   3.566   3.161  -4.090
  165    HA   TRP  21           HA       TRP  21   2.876   2.868  -7.002
  166   1HB   TRP  21          2HB       TRP  21   4.928   1.380  -5.270
  167   2HB   TRP  21          1HB       TRP  21   4.590   0.990  -6.920
  168    HD1  TRP  21           HD1      TRP  21   6.359   3.635  -4.757
  169    HE1  TRP  21           HE1      TRP  21   7.916   4.879  -6.345
  170    HE3  TRP  21           HE3      TRP  21   4.928   1.669  -9.131
  171    HZ2  TRP  21           HZ2      TRP  21   8.591   4.981  -9.129
  172    HZ3  TRP  21           HZ3      TRP  21   6.013   2.279 -11.263
  173    HH2  TRP  21           HH2      TRP  21   7.857   3.943 -11.278
  174    H    TYR  22           H        TYR  22   1.501   1.278  -7.503
  175    HA   TYR  22           HA       TYR  22   0.480  -0.474  -5.278
  176   1HB   TYR  22          2HB       TYR  22  -1.640   0.482  -5.726
  177   2HB   TYR  22          1HB       TYR  22  -0.863   1.611  -6.804
  178    HD1  TYR  22           HD1      TYR  22  -0.331   0.809  -9.196
  179    HD2  TYR  22           HD2      TYR  22  -3.065  -1.036  -6.562
  180    HE1  TYR  22           HE1      TYR  22  -1.404  -0.367 -11.123
  181    HE2  TYR  22           HE2      TYR  22  -4.124  -2.233  -8.487
  182    HH   TYR  22           HH       TYR  22  -2.734  -2.512 -11.352
  183    H    TYR  23           H        TYR  23   0.043  -2.577  -6.052
  184    HA   TYR  23           HA       TYR  23   1.794  -3.470  -8.260
  185   1HB   TYR  23          2HB       TYR  23   1.372  -4.728  -5.975
  186   2HB   TYR  23          1HB       TYR  23  -0.171  -5.163  -6.703
  187    HD1  TYR  23           HD1      TYR  23   3.433  -5.233  -7.685
  188    HD2  TYR  23           HD2      TYR  23  -0.335  -7.167  -7.743
  189    HE1  TYR  23           HE1      TYR  23   4.432  -7.149  -8.843
  190    HE2  TYR  23           HE2      TYR  23   0.655  -9.079  -8.907
  191    HH   TYR  23           HH       TYR  23   4.103  -8.931  -9.831
  192    H    ASP  24           H        ASP  24   1.154  -3.860 -10.264
  193    HA   ASP  24           HA       ASP  24  -1.783  -3.937 -10.865
  194   1HB   ASP  24          2HB       ASP  24  -0.388  -1.981 -11.477
  195   2HB   ASP  24          1HB       ASP  24   0.462  -2.959 -12.664
  196    HA   PRO  25           HA       PRO  25  -0.641  -8.342 -11.603
  197   1HB   PRO  25          2HB       PRO  25  -3.467  -8.571 -12.267
  198   2HB   PRO  25          1HB       PRO  25  -2.637  -9.169 -10.832
  199   1HG   PRO  25          2HG       PRO  25  -3.994  -6.473 -11.239
  200   2HG   PRO  25          1HG       PRO  25  -3.945  -7.481  -9.783
  201   1HD   PRO  25          2HD       PRO  25  -2.445  -5.375  -9.837
  202   2HD   PRO  25          1HD       PRO  25  -1.649  -6.869  -9.341
  203    H    ASN  26           H        ASN  26  -2.107  -6.037 -13.828
  204    HA   ASN  26           HA       ASN  26  -2.168  -7.700 -16.185
  205   1HB   ASN  26          2HB       ASN  26  -3.380  -5.480 -15.838
  206   2HB   ASN  26          1HB       ASN  26  -1.843  -4.652 -15.951
  207   1HD2  ASN  26          2HD2      ASN  26  -1.974  -4.733 -19.425
  208   2HD2  ASN  26          1HD2      ASN  26  -1.232  -4.059 -18.038
  209    H    THR  27           H        THR  27   0.241  -5.895 -14.662
  210    HA   THR  27           HA       THR  27   2.377  -6.728 -16.632
  211    HB   THR  27           HB       THR  27   2.224  -4.266 -16.695
  212    HG1  THR  27           HG1      THR  27   4.345  -5.594 -15.695
  213   1HG2  THR  27          3HG2      THR  27   2.608  -4.367 -13.661
  214   2HG2  THR  27          2HG2      THR  27   2.527  -2.939 -14.661
  215   3HG2  THR  27          1HG2      THR  27   1.102  -3.937 -14.445
  216    H    LYS  28           H        LYS  28   1.260  -6.999 -13.528
  217    HA   LYS  28           HA       LYS  28   1.968  -7.817 -11.590
  218   1HB   LYS  28          2HB       LYS  28   3.569  -9.424 -13.649
  219   2HB   LYS  28          1HB       LYS  28   3.774  -9.815 -11.971
  220   1HG   LYS  28          2HG       LYS  28   0.998  -9.836 -12.151
  221   2HG   LYS  28          1HG       LYS  28   1.401 -10.138 -13.807
  222   1HD   LYS  28          2HD       LYS  28   1.176 -12.406 -12.630
  223   2HD   LYS  28          1HD       LYS  28   2.785 -12.166 -13.230
  224   1HE   LYS  28          2HE       LYS  28   2.780 -13.116 -10.939
  225   2HE   LYS  28          1HE       LYS  28   3.644 -11.592 -11.006
  226   1HZ   LYS  28          1HZ       LYS  28   0.899 -11.066 -10.569
  227   2HZ   LYS  28          3HZ       LYS  28   1.416 -12.137  -9.346
  228   3HZ   LYS  28          2HZ       LYS  28   2.212 -10.679  -9.620
  229    H    SER  29           H        SER  29   3.203  -5.560 -12.364
  230    HA   SER  29           HA       SER  29   5.658  -5.505 -10.701
  231   1HB   SER  29          2HB       SER  29   6.729  -4.041 -12.418
  232   2HB   SER  29          1HB       SER  29   5.992  -5.359 -13.337
  233    HG   SER  29           HG       SER  29   4.596  -3.921 -14.151
  234    H    CYS  30           H        CYS  30   5.501  -2.431 -11.143
  235    HA   CYS  30           HA       CYS  30   2.969  -1.942  -9.651
  236   1HB   CYS  30          2HB       CYS  30   5.453  -0.408  -9.339
  237   2HB   CYS  30          1HB       CYS  30   4.048  -0.376  -8.300
  238    H    ALA  31           H        ALA  31   2.040   0.007  -9.815
  239    HA   ALA  31           HA       ALA  31   2.927   1.856 -12.000
  240   1HB   ALA  31          2HB       ALA  31   0.915   0.452 -12.701
  241   2HB   ALA  31          1HB       ALA  31   0.056   1.082 -11.296
  242   3HB   ALA  31          3HB       ALA  31   0.539   2.171 -12.584
  243    H    ARG  32           H        ARG  32   2.219   3.980 -11.481
  244    HA   ARG  32           HA       ARG  32   2.189   4.470  -8.599
  245   1HB   ARG  32          2HB       ARG  32   3.772   5.354 -10.406
  246   2HB   ARG  32          1HB       ARG  32   2.509   6.509 -10.750
  247   1HG   ARG  32          2HG       ARG  32   3.676   7.795  -9.092
  248   2HG   ARG  32          1HG       ARG  32   2.329   7.099  -8.254
  249   1HD   ARG  32          2HD       ARG  32   4.007   6.602  -6.729
  250   2HD   ARG  32          1HD       ARG  32   3.908   5.113  -7.632
  251    HE   ARG  32           HE       ARG  32   6.289   5.797  -7.577
  252   1HH1  ARG  32          1HH2      ARG  32   6.043   8.480  -8.021
  253   2HH1  ARG  32          2HH2      ARG  32   6.558   8.745  -9.663
  254   1HH2  ARG  32          2HH1      ARG  32   5.971   5.342 -10.136
  255   2HH2  ARG  32          1HH1      ARG  32   6.490   6.750 -11.016
  256    H    PHE  33           H        PHE  33   0.753   5.558  -7.495
  257    HA   PHE  33           HA       PHE  33  -1.485   6.921  -8.934
  258   1HB   PHE  33          2HB       PHE  33  -3.180   5.437  -8.085
  259   2HB   PHE  33          1HB       PHE  33  -1.861   4.354  -8.407
  260    HD1  PHE  33           HD2      PHE  33  -0.392   3.592  -6.552
  261    HD2  PHE  33           HD1      PHE  33  -3.999   5.724  -5.865
  262    HE1  PHE  33           HE2      PHE  33  -0.467   2.732  -4.251
  263    HE2  PHE  33           HE1      PHE  33  -4.078   4.902  -3.587
  264    HZ   PHE  33           HZ       PHE  33  -2.309   3.378  -2.758
  265    H    TRP  34           H        TRP  34  -2.955   8.010  -7.441
  266    HA   TRP  34           HA       TRP  34  -1.409   9.606  -5.490
  267   1HB   TRP  34          2HB       TRP  34  -4.090   9.986  -6.996
  268   2HB   TRP  34          1HB       TRP  34  -3.800  10.959  -5.626
  269    HD1  TRP  34           HD1      TRP  34  -3.768  11.254  -8.877
  270    HE1  TRP  34           HE1      TRP  34  -2.064  13.029  -9.692
  271    HE3  TRP  34           HE3      TRP  34  -0.722  11.690  -4.794
  272    HZ2  TRP  34           HZ2      TRP  34   0.148  14.414  -8.833
  273    HZ3  TRP  34           HZ3      TRP  34   1.133  13.251  -4.830
  274    HH2  TRP  34           HH2      TRP  34   1.603  14.625  -6.829
  275    H    TYR  35           H        TYR  35  -1.412   8.611  -3.445
  276    HA   TYR  35           HA       TYR  35  -3.900   7.379  -2.371
  277   1HB   TYR  35          2HB       TYR  35  -1.926   5.964  -2.471
  278   2HB   TYR  35          1HB       TYR  35  -0.943   7.213  -1.745
  279    HD1  TYR  35           HD2      TYR  35  -3.487   4.682  -1.130
  280    HD2  TYR  35           HD1      TYR  35  -1.001   7.590   0.748
  281    HE1  TYR  35           HE2      TYR  35  -3.957   3.689   1.083
  282    HE2  TYR  35           HE1      TYR  35  -1.495   6.560   2.929
  283    HH   TYR  35           HH       TYR  35  -3.537   5.181   3.797
  284    H    GLY  36           H        GLY  36  -4.654   7.913  -0.309
  285   1HA   GLY  36          2HA       GLY  36  -3.805  10.602   0.798
  286   2HA   GLY  36          1HA       GLY  36  -5.452   9.963   0.895
  287    H    GLY  37           H        GLY  37  -3.657  10.662   3.105
  288   1HA   GLY  37          2HA       GLY  37  -2.714   8.090   4.234
  289   2HA   GLY  37          1HA       GLY  37  -2.678   9.621   5.078
  290    H    CYS  38           H        CYS  38  -5.469   8.050   3.757
  291    HA   CYS  38           HA       CYS  38  -6.431   7.426   6.536
  292   1HB   CYS  38          2HB       CYS  38  -8.485   8.519   6.191
  293   2HB   CYS  38          1HB       CYS  38  -7.279   9.603   5.556
  294    H    GLY  39           H        GLY  39  -7.808   6.964   3.323
  295   1HA   GLY  39          2HA       GLY  39  -8.221   4.048   4.012
  296   2HA   GLY  39          1HA       GLY  39  -9.517   4.966   3.342
  297    H    GLY  40           H        GLY  40  -6.183   4.214   2.289
  298   1HA   GLY  40          2HA       GLY  40  -7.353   3.499  -0.423
  299   2HA   GLY  40          1HA       GLY  40  -5.661   3.937  -0.169
  300    H    ASN  41           H        ASN  41  -6.777   1.299  -1.236
  301    HA   ASN  41           HA       ASN  41  -6.576  -0.601   0.947
  302   1HB   ASN  41          2HB       ASN  41  -7.047  -2.198  -0.729
  303   2HB   ASN  41          1HB       ASN  41  -7.712  -0.740  -1.457
  304   1HD2  ASN  41          2HD2      ASN  41  -5.502  -1.035  -4.163
  305   2HD2  ASN  41          1HD2      ASN  41  -6.892  -0.282  -3.596
  306    H    GLU  42           H        GLU  42  -5.192  -2.449   1.026
  307    HA   GLU  42           HA       GLU  42  -2.575  -2.022   1.853
  308   1HB   GLU  42          2HB       GLU  42  -3.973  -4.514   0.886
  309   2HB   GLU  42          1HB       GLU  42  -2.464  -4.513   1.781
  310   1HG   GLU  42          2HG       GLU  42  -5.204  -4.147   2.862
  311   2HG   GLU  42          1HG       GLU  42  -3.720  -4.448   3.728
  312    H    ASN  43           H        ASN  43  -3.344  -2.330  -1.399
  313    HA   ASN  43           HA       ASN  43  -0.621  -3.107  -2.252
  314   1HB   ASN  43          2HB       ASN  43  -2.860  -3.946  -3.160
  315   2HB   ASN  43          1HB       ASN  43  -3.185  -2.333  -3.774
  316   1HD2  ASN  43          2HD2      ASN  43  -1.842  -3.479  -6.754
  317   2HD2  ASN  43          1HD2      ASN  43  -3.240  -3.005  -5.930
  318    H    LYS  44           H        LYS  44  -0.446  -1.210  -0.756
  319    HA   LYS  44           HA       LYS  44  -0.042   1.383  -2.178
  320   1HB   LYS  44          2HB       LYS  44  -0.681   2.498  -0.100
  321   2HB   LYS  44          1HB       LYS  44  -1.887   1.387  -0.671
  322   1HG   LYS  44          2HG       LYS  44  -1.490  -0.226   0.957
  323   2HG   LYS  44          1HG       LYS  44   0.122   0.302   1.335
  324   1HD   LYS  44          2HD       LYS  44  -0.872   1.346   3.066
  325   2HD   LYS  44          1HD       LYS  44  -1.231   2.578   1.876
  326   1HE   LYS  44          2HE       LYS  44  -3.305   2.190   3.088
  327   2HE   LYS  44          1HE       LYS  44  -3.460   1.560   1.458
  328   1HZ   LYS  44          3HZ       LYS  44  -2.441  -0.548   3.158
  329   2HZ   LYS  44          2HZ       LYS  44  -3.774   0.043   3.860
  330   3HZ   LYS  44          1HZ       LYS  44  -3.895  -0.481   2.368
  331    H    PHE  45           H        PHE  45   2.198   0.857  -2.782
  332    HA   PHE  45           HA       PHE  45   4.136   0.588  -0.572
  333   1HB   PHE  45          2HB       PHE  45   4.360   0.038  -3.605
  334   2HB   PHE  45          1HB       PHE  45   5.541  -0.340  -2.376
  335    HD1  PHE  45           HD1      PHE  45   4.647  -1.712  -0.304
  336    HD2  PHE  45           HD2      PHE  45   2.668  -1.564  -4.070
  337    HE1  PHE  45           HE1      PHE  45   3.437  -3.749   0.273
  338    HE2  PHE  45           HE2      PHE  45   1.451  -3.619  -3.486
  339    HZ   PHE  45           HZ       PHE  45   1.817  -4.704  -1.334
  340    H    GLY  46           H        GLY  46   6.212   1.437  -0.916
  341   1HA   GLY  46          2HA       GLY  46   6.289   4.398  -1.382
  342   2HA   GLY  46          1HA       GLY  46   7.520   3.425  -0.566
  343    H    SER  47           H        SER  47   7.901   1.457  -2.542
  344    HA   SER  47           HA       SER  47   8.913   2.988  -4.915
  345   1HB   SER  47          2HB       SER  47  10.956   2.600  -3.511
  346   2HB   SER  47          1HB       SER  47  10.730   0.852  -3.697
  347    HG   SER  47           HG       SER  47  11.804   2.438  -5.421
  348    H    GLN  48           H        GLN  48   9.523   1.442  -6.643
  349    HA   GLN  48           HA       GLN  48   7.282  -0.286  -7.211
  350   1HB   GLN  48          2HB       GLN  48   8.621   0.839  -9.003
  351   2HB   GLN  48          1HB       GLN  48  10.052  -0.060  -8.546
  352   1HG   GLN  48          2HG       GLN  48   7.502  -1.499  -9.436
  353   2HG   GLN  48          1HG       GLN  48   8.680  -0.981 -10.622
  354   1HE2  GLN  48          2HE2      GLN  48   9.103  -4.445  -8.956
  355   2HE2  GLN  48          1HE2      GLN  48   7.694  -3.507  -8.823
  356    H    LYS  49           H        LYS  49  10.455  -0.936  -6.063
  357    HA   LYS  49           HA       LYS  49  10.231  -3.760  -6.184
  358   1HB   LYS  49          2HB       LYS  49  11.912  -1.782  -4.497
  359   2HB   LYS  49          1HB       LYS  49  12.138  -3.504  -4.273
  360   1HG   LYS  49          2HG       LYS  49  12.227  -2.300  -7.086
  361   2HG   LYS  49          1HG       LYS  49  13.658  -2.289  -6.070
  362   1HD   LYS  49          2HD       LYS  49  13.763  -4.694  -5.957
  363   2HD   LYS  49          1HD       LYS  49  12.105  -4.913  -6.415
  364   1HE   LYS  49          2HE       LYS  49  14.126  -3.755  -8.367
  365   2HE   LYS  49          1HE       LYS  49  13.886  -5.494  -8.153
  366   1HZ   LYS  49          3HZ       LYS  49  11.345  -4.461  -8.277
  367   2HZ   LYS  49          2HZ       LYS  49  12.053  -3.701  -9.562
  368   3HZ   LYS  49          1HZ       LYS  49  12.014  -5.394  -9.338
  369    H    GLU  50           H        GLU  50   9.030  -1.611  -3.633
  370    HA   GLU  50           HA       GLU  50   8.517  -3.572  -1.737
  371   1HB   GLU  50          2HB       GLU  50   7.332  -1.100  -2.593
  372   2HB   GLU  50          1HB       GLU  50   6.413  -2.092  -1.443
  373   1HG   GLU  50          2HG       GLU  50   7.714  -1.346   0.259
  374   2HG   GLU  50          1HG       GLU  50   9.164  -1.918  -0.547
  375    H    CYS  51           H        CYS  51   6.206  -2.419  -4.104
  376    HA   CYS  51           HA       CYS  51   4.154  -4.307  -3.728
  377   1HB   CYS  51          2HB       CYS  51   4.638  -3.909  -6.617
  378   2HB   CYS  51          1HB       CYS  51   3.236  -3.531  -5.670
  379    H    GLU  52           H        GLU  52   6.997  -4.581  -5.878
  380    HA   GLU  52           HA       GLU  52   6.429  -7.269  -6.786
  381   1HB   GLU  52          2HB       GLU  52   7.853  -5.638  -7.953
  382   2HB   GLU  52          1HB       GLU  52   8.857  -5.388  -6.559
  383   1HG   GLU  52          2HG       GLU  52   9.661  -7.855  -6.830
  384   2HG   GLU  52          1HG       GLU  52   8.770  -7.899  -8.340
  385    H    LYS  53           H        LYS  53   8.721  -6.289  -4.280
  386    HA   LYS  53           HA       LYS  53   9.214  -8.979  -3.532
  387   1HB   LYS  53          2HB       LYS  53  10.703  -7.046  -2.944
  388   2HB   LYS  53          1HB       LYS  53   9.451  -6.312  -1.982
  389   1HG   LYS  53          2HG       LYS  53  10.371  -9.116  -1.262
  390   2HG   LYS  53          1HG       LYS  53  11.425  -7.776  -0.859
  391   1HD   LYS  53          2HD       LYS  53   9.800  -6.703   0.550
  392   2HD   LYS  53          1HD       LYS  53   8.460  -7.639  -0.031
  393   1HE   LYS  53          2HE       LYS  53  10.793  -8.782   1.560
  394   2HE   LYS  53          1HE       LYS  53   9.256  -8.293   2.270
  395   1HZ   LYS  53          3HZ       LYS  53   8.686  -9.854   0.003
  396   2HZ   LYS  53          2HZ       LYS  53   9.820 -10.741   0.872
  397   3HZ   LYS  53          1HZ       LYS  53   8.344 -10.269   1.574
  398    H    VAL  54           H        VAL  54   6.463  -7.111  -2.915
  399    HA   VAL  54           HA       VAL  54   5.526  -8.731  -0.618
  400    HB   VAL  54           HB       VAL  54   4.555  -6.247  -2.111
  401   1HG1  VAL  54          3HG1      VAL  54   3.470  -7.567   0.449
  402   2HG1  VAL  54          2HG1      VAL  54   2.929  -6.036  -0.191
  403   3HG1  VAL  54          1HG1      VAL  54   2.607  -7.516  -1.080
  404   1HG2  VAL  54          2HG2      VAL  54   6.573  -5.956  -0.629
  405   2HG2  VAL  54          1HG2      VAL  54   5.197  -5.094  -0.001
  406   3HG2  VAL  54          3HG2      VAL  54   5.681  -6.611   0.729
  407    H    CYS  55           H        CYS  55   4.454  -8.119  -3.986
  408    HA   CYS  55           HA       CYS  55   2.563 -10.439  -3.814
  409   1HB   CYS  55          2HB       CYS  55   1.655  -8.355  -4.760
  410   2HB   CYS  55          1HB       CYS  55   2.908  -8.327  -5.980
  411    H    ALA  56           H        ALA  56   5.557  -9.567  -5.283
  412    HA   ALA  56           HA       ALA  56   5.614 -12.085  -6.906
  413   1HB   ALA  56          3HB       ALA  56   6.004  -9.894  -8.105
  414   2HB   ALA  56          2HB       ALA  56   7.350  -9.581  -7.030
  415   3HB   ALA  56          1HB       ALA  56   7.454 -10.908  -8.137
  416    HA   PRO  57           HA       PRO  57   8.990 -13.249  -3.998
  417   1HB   PRO  57          2HB       PRO  57   8.104 -13.752  -1.564
  418   2HB   PRO  57          1HB       PRO  57   8.194 -12.050  -2.087
  419   1HG   PRO  57          2HG       PRO  57   5.738 -13.913  -2.155
  420   2HG   PRO  57          1HG       PRO  57   5.807 -12.297  -1.449
  421   1HD   PRO  57          2HD       PRO  57   4.956 -12.802  -4.085
  422   2HD   PRO  57          1HD       PRO  57   5.626 -11.251  -3.512
  423    H    VAL  58           HN       VAL  58   8.452 -14.784  -5.805
  424    HA   VAL  58           HA       VAL  58   7.815 -17.476  -4.731
  425    HB   VAL  58           HB       VAL  58   5.804 -16.392  -6.051
  426   1HG1  VAL  58          1HG1      VAL  58   7.213 -15.105  -7.637
  427   2HG1  VAL  58          3HG1      VAL  58   7.786 -16.601  -8.332
  428   3HG1  VAL  58          2HG1      VAL  58   6.093 -16.148  -8.518
  429   1HG2  VAL  58          2HG2      VAL  58   6.099 -18.887  -5.997
  430   2HG2  VAL  58          1HG2      VAL  58   5.426 -18.368  -7.543
  431   3HG2  VAL  58          3HG2      VAL  58   7.133 -18.774  -7.404
   
  No H/Q in entry =         431
  Start of MODEL    5
    1   1H    GLU   1          1H        GLU   1  -3.983 -15.618  -0.887
    2   2H    GLU   1          3H        GLU   1  -4.552 -17.205  -0.673
    3   3H    GLU   1          2H        GLU   1  -5.309 -16.206  -1.778
    4    HA   GLU   1           HA       GLU   1  -6.680 -15.396  -0.335
    5   1HB   GLU   1          2HB       GLU   1  -5.230 -17.336   1.613
    6   2HB   GLU   1          1HB       GLU   1  -6.785 -16.617   1.961
    7   1HG   GLU   1          2HG       GLU   1  -6.846 -19.056   0.964
    8   2HG   GLU   1          1HG       GLU   1  -7.882 -17.909   0.140
    9    H    THR   2           H        THR   2  -4.683 -13.922  -0.701
   10    HA   THR   2           HA       THR   2  -4.763 -11.788   1.226
   11    HB   THR   2           HB       THR   2  -2.161 -11.656   1.639
   12    HG1  THR   2           HG1      THR   2  -1.272 -12.814   0.116
   13   1HG2  THR   2          2HG2      THR   2  -3.421 -13.223   3.321
   14   2HG2  THR   2          1HG2      THR   2  -2.989 -14.534   2.237
   15   3HG2  THR   2          3HG2      THR   2  -1.733 -13.602   3.012
   16    H    ASP   3           H        ASP   3  -5.351 -12.399  -1.177
   17    HA   ASP   3           HA       ASP   3  -3.802 -11.658  -3.362
   18   1HB   ASP   3          2HB       ASP   3  -6.793 -11.833  -2.829
   19   2HB   ASP   3          1HB       ASP   3  -6.035 -11.656  -4.414
   20    H    ILE   4           H        ILE   4  -3.506  -9.416  -1.610
   21    HA   ILE   4           HA       ILE   4  -4.795  -7.042  -2.243
   22    HB   ILE   4           HB       ILE   4  -2.722  -5.893  -1.794
   23   1HG1  ILE   4          2HG1      ILE   4  -1.406  -8.682  -1.919
   24   2HG1  ILE   4          1HG1      ILE   4  -1.208  -7.467  -3.167
   25   1HG2  ILE   4          1HG2      ILE   4  -3.975  -6.883   0.114
   26   2HG2  ILE   4          3HG2      ILE   4  -3.072  -8.382  -0.033
   27   3HG2  ILE   4          2HG2      ILE   4  -2.263  -6.908   0.452
   28   1HD1  ILE   4          1HD1      ILE   4  -0.195  -5.914  -1.523
   29   2HD1  ILE   4          3HD1      ILE   4  -0.299  -7.155  -0.285
   30   3HD1  ILE   4          2HD1      ILE   4   0.703  -7.416  -1.702
   31    H    CYS   5           H        CYS   5  -2.679  -8.823  -4.129
   32    HA   CYS   5           HA       CYS   5  -1.828  -7.230  -6.246
   33   1HB   CYS   5          2HB       CYS   5  -2.648 -10.127  -6.209
   34   2HB   CYS   5          1HB       CYS   5  -1.522  -9.414  -7.341
   35    H    LYS   6           H        LYS   6  -4.965  -8.304  -5.601
   36    HA   LYS   6           HA       LYS   6  -5.934  -7.594  -8.359
   37   1HB   LYS   6          2HB       LYS   6  -7.360  -9.187  -6.190
   38   2HB   LYS   6          1HB       LYS   6  -7.890  -8.996  -7.852
   39   1HG   LYS   6          2HG       LYS   6  -5.482 -10.051  -8.416
   40   2HG   LYS   6          1HG       LYS   6  -5.543 -10.630  -6.769
   41   1HD   LYS   6          2HD       LYS   6  -7.649 -11.174  -8.946
   42   2HD   LYS   6          1HD       LYS   6  -6.448 -12.328  -8.443
   43   1HE   LYS   6          2HE       LYS   6  -8.549 -11.229  -6.542
   44   2HE   LYS   6          1HE       LYS   6  -8.798 -12.677  -7.510
   45   1HZ   LYS   6          3HZ       LYS   6  -6.232 -12.868  -6.188
   46   2HZ   LYS   6          2HZ       LYS   6  -7.349 -12.527  -5.060
   47   3HZ   LYS   6          1HZ       LYS   6  -7.488 -13.867  -5.977
   48    H    LEU   7           H        LEU   7  -5.449  -5.840  -5.831
   49    HA   LEU   7           HA       LEU   7  -8.022  -4.508  -5.818
   50   1HB   LEU   7          2HB       LEU   7  -5.776  -4.277  -3.767
   51   2HB   LEU   7          1HB       LEU   7  -7.405  -3.691  -3.537
   52    HG   LEU   7           HG       LEU   7  -6.523  -6.599  -3.758
   53   1HD1  LEU   7          3HD1      LEU   7  -6.053  -5.413  -1.582
   54   2HD1  LEU   7          2HD1      LEU   7  -7.718  -4.935  -1.481
   55   3HD1  LEU   7          1HD1      LEU   7  -7.297  -6.626  -1.368
   56   1HD2  LEU   7          1HD2      LEU   7  -9.303  -5.395  -3.253
   57   2HD2  LEU   7          3HD2      LEU   7  -8.840  -6.226  -4.729
   58   3HD2  LEU   7          2HD2      LEU   7  -8.921  -7.106  -3.220
   59    HA   PRO   8           HA       PRO   8  -6.158  -1.347  -7.994
   60   1HB   PRO   8          2HB       PRO   8  -8.391   0.413  -7.728
   61   2HB   PRO   8          1HB       PRO   8  -8.305  -0.995  -8.797
   62   1HG   PRO   8          2HG       PRO   8  -9.980  -0.695  -6.493
   63   2HG   PRO   8          1HG       PRO   8  -9.694  -2.233  -7.317
   64   1HD   PRO   8          2HD       PRO   8  -8.276  -1.041  -4.902
   65   2HD   PRO   8          1HD       PRO   8  -8.824  -2.711  -5.121
   66    H    LYS   9           H        LYS   9  -6.332   1.035  -8.285
   67    HA   LYS   9           HA       LYS   9  -4.402   2.351  -6.475
   68   1HB   LYS   9          2HB       LYS   9  -5.827   3.163  -9.068
   69   2HB   LYS   9          1HB       LYS   9  -4.633   4.162  -8.288
   70   1HG   LYS   9          2HG       LYS   9  -2.845   2.831  -8.844
   71   2HG   LYS   9          1HG       LYS   9  -3.733   1.346  -8.758
   72   1HD   LYS   9          2HD       LYS   9  -4.425   3.314 -10.981
   73   2HD   LYS   9          1HD       LYS   9  -2.937   2.441 -11.156
   74   1HE   LYS   9          2HE       LYS   9  -4.587   0.341 -10.554
   75   2HE   LYS   9          1HE       LYS   9  -5.789   1.442 -11.220
   76   1HZ   LYS   9          1HZ       LYS   9  -3.382   1.428 -12.795
   77   2HZ   LYS   9          3HZ       LYS   9  -3.835  -0.094 -12.627
   78   3HZ   LYS   9          2HZ       LYS   9  -4.925   0.960 -13.355
   79    H    ASP  10           H        ASP  10  -6.101   2.113  -4.757
   80    HA   ASP  10           HA       ASP  10  -8.228   4.128  -4.862
   81   1HB   ASP  10          2HB       ASP  10  -7.668   2.049  -2.720
   82   2HB   ASP  10          1HB       ASP  10  -9.151   2.948  -2.906
   83    H    GLU  11           H        GLU  11  -8.904   5.291  -3.058
   84    HA   GLU  11           HA       GLU  11  -6.820   6.568  -1.360
   85   1HB   GLU  11          2HB       GLU  11  -8.504   8.750  -1.833
   86   2HB   GLU  11          1HB       GLU  11  -7.509   8.268  -3.162
   87   1HG   GLU  11          2HG       GLU  11  -9.232   7.166  -4.311
   88   2HG   GLU  11          1HG       GLU  11 -10.294   6.923  -2.961
   89    H    GLY  12           H        GLY  12 -10.371   6.957  -1.291
   90   1HA   GLY  12          2HA       GLY  12 -11.633   5.571   0.469
   91   2HA   GLY  12          1HA       GLY  12 -10.345   5.986   1.572
   92    H    THR  13           H        THR  13 -10.194   8.342   2.170
   93    HA   THR  13           HA       THR  13 -12.894   9.673   2.021
   94    HB   THR  13           HB       THR  13 -12.496  10.430   4.459
   95    HG1  THR  13           HG1      THR  13 -10.671   8.712   5.140
   96   1HG2  THR  13          1HG2      THR  13 -13.650   8.122   3.981
   97   2HG2  THR  13          3HG2      THR  13 -12.053   7.411   4.114
   98   3HG2  THR  13          2HG2      THR  13 -12.774   8.213   5.503
   99    H    CYS  14           H        CYS  14  -9.864  10.663   3.462
  100    HA   CYS  14           HA       CYS  14 -10.008  13.403   2.926
  101   1HB   CYS  14          2HB       CYS  14  -7.669  11.554   3.186
  102   2HB   CYS  14          1HB       CYS  14  -7.454  13.272   3.208
  103    H    ARG  15           H        ARG  15  -8.452  14.678   1.605
  104    HA   ARG  15           HA       ARG  15  -8.160  13.636  -1.215
  105   1HB   ARG  15          2HB       ARG  15  -9.952  15.685  -0.257
  106   2HB   ARG  15          1HB       ARG  15  -8.657  16.556  -1.026
  107   1HG   ARG  15          2HG       ARG  15  -9.979  16.245  -2.895
  108   2HG   ARG  15          1HG       ARG  15  -9.053  14.766  -3.001
  109   1HD   ARG  15          2HD       ARG  15 -11.788  15.002  -1.636
  110   2HD   ARG  15          1HD       ARG  15 -11.534  14.337  -3.243
  111    HE   ARG  15           HE       ARG  15 -10.210  13.098  -0.800
  112   1HH1  ARG  15          2HH1      ARG  15  -9.971  12.451  -3.759
  113   2HH1  ARG  15          1HH1      ARG  15 -10.716  10.894  -3.691
  114   1HH2  ARG  15          1HH2      ARG  15 -11.888  11.467  -0.564
  115   2HH2  ARG  15          2HH2      ARG  15 -11.770  10.331  -1.889
  116    H    ASP  16           H        ASP  16  -6.095  13.356   0.435
  117    HA   ASP  16           HA       ASP  16  -4.200  15.583  -0.077
  118   1HB   ASP  16          2HB       ASP  16  -3.083  14.598   1.965
  119   2HB   ASP  16          1HB       ASP  16  -4.779  14.870   2.313
  120    H    PHE  17           H        PHE  17  -4.822  13.653  -2.086
  121    HA   PHE  17           HA       PHE  17  -3.382  11.570  -2.827
  122   1HB   PHE  17          2HB       PHE  17  -3.291  14.073  -4.481
  123   2HB   PHE  17          1HB       PHE  17  -2.996  12.483  -5.094
  124    HD1  PHE  17           HD2      PHE  17  -4.875  10.662  -4.553
  125    HD2  PHE  17           HD1      PHE  17  -5.493  14.869  -4.654
  126    HE1  PHE  17           HE2      PHE  17  -7.271  10.295  -4.968
  127    HE2  PHE  17           HE1      PHE  17  -7.901  14.506  -5.079
  128    HZ   PHE  17           HZ       PHE  17  -8.770  12.175  -5.242
  129    H    ILE  18           H        ILE  18  -1.486  11.029  -1.836
  130    HA   ILE  18           HA       ILE  18   0.972  12.585  -2.669
  131    HB   ILE  18           HB       ILE  18   2.114  11.743  -0.671
  132   1HG1  ILE  18          2HG1      ILE  18   0.553   9.971   0.752
  133   2HG1  ILE  18          1HG1      ILE  18   0.160   9.483  -0.873
  134   1HG2  ILE  18          3HG2      ILE  18   0.403  13.381  -0.011
  135   2HG2  ILE  18          2HG2      ILE  18  -0.723  12.077   0.288
  136   3HG2  ILE  18          1HG2      ILE  18   0.714  12.213   1.254
  137   1HD1  ILE  18          3HD1      ILE  18   2.955   9.806   0.252
  138   2HD1  ILE  18          2HD1      ILE  18   2.112   8.269  -0.014
  139   3HD1  ILE  18          1HD1      ILE  18   2.593   9.267  -1.400
  140    H    LEU  19           H        LEU  19   2.777  11.139  -3.469
  141    HA   LEU  19           HA       LEU  19   1.595   9.062  -5.170
  142   1HB   LEU  19          2HB       LEU  19   4.269  10.431  -5.117
  143   2HB   LEU  19          1HB       LEU  19   4.151   8.946  -5.999
  144    HG   LEU  19           HG       LEU  19   2.595  11.543  -6.598
  145   1HD1  LEU  19          1HD1      LEU  19   4.930  11.446  -7.450
  146   2HD1  LEU  19          3HD1      LEU  19   4.557   9.929  -8.262
  147   3HD1  LEU  19          2HD1      LEU  19   3.753  11.408  -8.746
  148   1HD2  LEU  19          3HD2      LEU  19   2.337   8.856  -8.032
  149   2HD2  LEU  19          2HD2      LEU  19   1.086   9.623  -7.068
  150   3HD2  LEU  19          1HD2      LEU  19   1.623  10.378  -8.531
  151    H    LYS  20           H        LYS  20   1.901   6.988  -5.181
  152    HA   LYS  20           HA       LYS  20   4.042   5.673  -3.616
  153   1HB   LYS  20          2HB       LYS  20   1.027   5.321  -3.155
  154   2HB   LYS  20          1HB       LYS  20   2.134   4.068  -2.644
  155   1HG   LYS  20          2HG       LYS  20   2.310   6.986  -1.721
  156   2HG   LYS  20          1HG       LYS  20   1.550   5.714  -0.802
  157   1HD   LYS  20          2HD       LYS  20   3.564   4.441  -0.534
  158   2HD   LYS  20          1HD       LYS  20   4.461   5.366  -1.699
  159   1HE   LYS  20          2HE       LYS  20   3.491   6.481   0.932
  160   2HE   LYS  20          1HE       LYS  20   5.092   5.791   0.668
  161   1HZ   LYS  20          3HZ       LYS  20   4.464   7.604  -1.461
  162   2HZ   LYS  20          2HZ       LYS  20   4.218   8.399  -0.019
  163   3HZ   LYS  20          1HZ       LYS  20   5.738   7.737  -0.366
  164    H    TRP  21           H        TRP  21   3.832   3.096  -3.952
  165    HA   TRP  21           HA       TRP  21   3.462   2.705  -6.889
  166   1HB   TRP  21          2HB       TRP  21   5.205   1.188  -4.882
  167   2HB   TRP  21          1HB       TRP  21   4.982   0.673  -6.537
  168    HD1  TRP  21           HD1      TRP  21   6.587   3.497  -4.452
  169    HE1  TRP  21           HE1      TRP  21   8.289   4.589  -5.996
  170    HE3  TRP  21           HE3      TRP  21   5.633   1.019  -8.698
  171    HZ2  TRP  21           HZ2      TRP  21   9.260   4.382  -8.697
  172    HZ3  TRP  21           HZ3      TRP  21   6.931   1.427 -10.769
  173    HH2  TRP  21           HH2      TRP  21   8.745   3.104 -10.782
  174    H    TYR  22           H        TYR  22   2.154   1.097  -7.597
  175    HA   TYR  22           HA       TYR  22   0.963  -0.744  -5.540
  176   1HB   TYR  22          2HB       TYR  22  -1.292  -0.191  -6.153
  177   2HB   TYR  22          1HB       TYR  22  -0.543   1.381  -6.291
  178    HD1  TYR  22           HD2      TYR  22   0.198   2.170  -8.585
  179    HD2  TYR  22           HD1      TYR  22  -2.131  -1.342  -8.040
  180    HE1  TYR  22           HE2      TYR  22  -0.421   2.146 -10.988
  181    HE2  TYR  22           HE1      TYR  22  -2.726  -1.346 -10.426
  182    HH   TYR  22           HH       TYR  22  -1.598  -0.309 -12.546
  183    H    TYR  23           H        TYR  23   0.315  -2.649  -6.413
  184    HA   TYR  23           HA       TYR  23   1.735  -3.601  -8.752
  185   1HB   TYR  23          2HB       TYR  23   1.652  -4.818  -6.599
  186   2HB   TYR  23          1HB       TYR  23  -0.093  -4.861  -6.684
  187    HD1  TYR  23           HD1      TYR  23  -1.261  -6.102  -8.477
  188    HD2  TYR  23           HD2      TYR  23   2.902  -6.562  -7.778
  189    HE1  TYR  23           HE1      TYR  23  -1.280  -8.240  -9.718
  190    HE2  TYR  23           HE2      TYR  23   2.851  -8.708  -9.029
  191    HH   TYR  23           HH       TYR  23   1.016 -10.410  -9.477
  192    H    ASP  24           H        ASP  24   0.869  -3.569 -10.712
  193    HA   ASP  24           HA       ASP  24  -2.053  -3.159 -11.028
  194   1HB   ASP  24          2HB       ASP  24  -0.513  -1.581 -12.001
  195   2HB   ASP  24          1HB       ASP  24   0.048  -2.803 -13.116
  196    HA   PRO  25           HA       PRO  25  -1.998  -7.773 -12.151
  197   1HB   PRO  25          2HB       PRO  25  -4.720  -7.370 -13.030
  198   2HB   PRO  25          1HB       PRO  25  -4.169  -8.084 -11.514
  199   1HG   PRO  25          2HG       PRO  25  -4.824  -5.146 -12.071
  200   2HG   PRO  25          1HG       PRO  25  -5.267  -6.122 -10.661
  201   1HD   PRO  25          2HD       PRO  25  -3.250  -4.484 -10.369
  202   2HD   PRO  25          1HD       PRO  25  -2.954  -6.150  -9.873
  203    H    ASN  26           H        ASN  26  -2.804  -5.076 -14.318
  204    HA   ASN  26           HA       ASN  26  -2.858  -6.659 -16.747
  205   1HB   ASN  26          2HB       ASN  26  -3.595  -4.128 -16.353
  206   2HB   ASN  26          1HB       ASN  26  -1.903  -3.758 -16.599
  207   1HD2  ASN  26          2HD2      ASN  26  -3.990  -4.223 -19.812
  208   2HD2  ASN  26          1HD2      ASN  26  -4.697  -3.865 -18.295
  209    H    THR  27           H        THR  27  -0.376  -5.180 -14.868
  210    HA   THR  27           HA       THR  27   1.806  -6.044 -16.748
  211    HB   THR  27           HB       THR  27   3.346  -4.661 -15.427
  212    HG1  THR  27           HG1      THR  27   1.325  -4.228 -13.485
  213   1HG2  THR  27          2HG2      THR  27   0.599  -3.322 -15.068
  214   2HG2  THR  27          1HG2      THR  27   2.168  -2.533 -15.033
  215   3HG2  THR  27          3HG2      THR  27   1.548  -3.212 -16.529
  216    H    LYS  28           H        LYS  28   1.040  -6.292 -13.419
  217    HA   LYS  28           HA       LYS  28   0.968  -7.906 -11.890
  218   1HB   LYS  28          2HB       LYS  28   2.539  -9.641 -13.972
  219   2HB   LYS  28          1HB       LYS  28   2.104 -10.213 -12.392
  220   1HG   LYS  28          2HG       LYS  28  -0.129 -10.285 -12.707
  221   2HG   LYS  28          1HG       LYS  28  -0.160  -8.964 -13.819
  222   1HD   LYS  28          2HD       LYS  28   0.878 -11.810 -14.525
  223   2HD   LYS  28          1HD       LYS  28  -0.725 -11.278 -14.946
  224   1HE   LYS  28          2HE       LYS  28   1.904 -10.151 -15.976
  225   2HE   LYS  28          1HE       LYS  28   0.717 -11.071 -16.881
  226   1HZ   LYS  28          1HZ       LYS  28  -0.648  -8.886 -15.658
  227   2HZ   LYS  28          3HZ       LYS  28   0.734  -8.288 -16.368
  228   3HZ   LYS  28          2HZ       LYS  28  -0.382  -9.052 -17.306
  229    H    SER  29           H        SER  29   2.715  -5.886 -12.317
  230    HA   SER  29           HA       SER  29   4.767  -6.470 -10.360
  231   1HB   SER  29          2HB       SER  29   6.488  -5.272 -11.841
  232   2HB   SER  29          1HB       SER  29   5.754  -6.585 -12.755
  233    HG   SER  29           HG       SER  29   4.033  -4.749 -13.251
  234    H    CYS  30           H        CYS  30   5.639  -3.586 -10.512
  235    HA   CYS  30           HA       CYS  30   3.073  -2.184  -9.922
  236   1HB   CYS  30          2HB       CYS  30   5.507  -2.465  -8.292
  237   2HB   CYS  30          1HB       CYS  30   4.750  -0.904  -8.212
  238    H    ALA  31           H        ALA  31   2.866  -0.088  -9.943
  239    HA   ALA  31           HA       ALA  31   4.798   1.628 -11.411
  240   1HB   ALA  31          2HB       ALA  31   1.808   1.259 -12.045
  241   2HB   ALA  31          1HB       ALA  31   2.863   2.408 -12.858
  242   3HB   ALA  31          3HB       ALA  31   3.130   0.684 -13.045
  243    H    ARG  32           H        ARG  32   3.848   3.915 -11.211
  244    HA   ARG  32           HA       ARG  32   3.177   4.359  -8.392
  245   1HB   ARG  32          2HB       ARG  32   4.604   5.885 -10.470
  246   2HB   ARG  32          1HB       ARG  32   3.870   6.822  -9.160
  247   1HG   ARG  32          2HG       ARG  32   5.132   5.354  -7.503
  248   2HG   ARG  32          1HG       ARG  32   5.793   4.449  -8.836
  249   1HD   ARG  32          2HD       ARG  32   6.352   7.421  -8.308
  250   2HD   ARG  32          1HD       ARG  32   7.438   6.101  -7.922
  251    HE   ARG  32           HE       ARG  32   7.330   5.482 -10.441
  252   1HH1  ARG  32          1HH2      ARG  32   5.379   7.555 -10.861
  253   2HH1  ARG  32          2HH2      ARG  32   6.255   8.776 -11.729
  254   1HH2  ARG  32          2HH1      ARG  32   9.171   7.232 -10.622
  255   2HH2  ARG  32          1HH1      ARG  32   8.615   8.570 -11.572
  256    H    PHE  33           H        PHE  33   1.572   5.480  -7.619
  257    HA   PHE  33           HA       PHE  33  -0.211   7.036  -9.431
  258   1HB   PHE  33          2HB       PHE  33  -2.093   5.648  -9.178
  259   2HB   PHE  33          1HB       PHE  33  -0.829   4.452  -9.107
  260    HD1  PHE  33           HD2      PHE  33  -0.139   3.499  -6.880
  261    HD2  PHE  33           HD1      PHE  33  -3.488   6.095  -7.270
  262    HE1  PHE  33           HE2      PHE  33  -1.006   2.735  -4.700
  263    HE2  PHE  33           HE1      PHE  33  -4.339   5.344  -5.120
  264    HZ   PHE  33           HZ       PHE  33  -3.104   3.659  -3.825
  265    H    TRP  34           H        TRP  34  -2.014   7.982  -8.262
  266    HA   TRP  34           HA       TRP  34  -1.045   9.513  -5.926
  267   1HB   TRP  34          2HB       TRP  34  -3.352   9.872  -7.975
  268   2HB   TRP  34          1HB       TRP  34  -3.310  10.901  -6.624
  269    HD1  TRP  34           HD1      TRP  34  -2.673  10.986  -9.843
  270    HE1  TRP  34           HE1      TRP  34  -0.871  12.767 -10.430
  271    HE3  TRP  34           HE3      TRP  34  -0.598  11.691  -5.334
  272    HZ2  TRP  34           HZ2      TRP  34   1.121  14.279  -9.190
  273    HZ3  TRP  34           HZ3      TRP  34   1.226  13.306  -5.011
  274    HH2  TRP  34           HH2      TRP  34   2.104  14.607  -6.925
  275    H    TYR  35           H        TYR  35  -1.660   8.616  -3.890
  276    HA   TYR  35           HA       TYR  35  -4.462   7.473  -3.707
  277   1HB   TYR  35          2HB       TYR  35  -3.579   5.604  -2.838
  278   2HB   TYR  35          1HB       TYR  35  -1.984   6.186  -3.211
  279    HD1  TYR  35           HD1      TYR  35  -4.524   6.770  -0.412
  280    HD2  TYR  35           HD2      TYR  35  -0.492   5.927  -1.479
  281    HE1  TYR  35           HE1      TYR  35  -3.909   6.599   1.959
  282    HE2  TYR  35           HE2      TYR  35   0.071   5.757   0.928
  283    HH   TYR  35           HH       TYR  35  -2.058   6.651   3.396
  284    H    GLY  36           H        GLY  36  -2.015   9.055  -1.846
  285   1HA   GLY  36          2HA       GLY  36  -2.706  11.240  -0.593
  286   2HA   GLY  36          1HA       GLY  36  -4.141  10.343  -0.110
  287    H    GLY  37           H        GLY  37  -3.360  10.880   1.983
  288   1HA   GLY  37          2HA       GLY  37  -1.244   8.950   2.972
  289   2HA   GLY  37          1HA       GLY  37  -1.577  10.518   3.748
  290    H    CYS  38           H        CYS  38  -4.072  10.693   3.905
  291    HA   CYS  38           HA       CYS  38  -4.942   9.007   6.059
  292   1HB   CYS  38          2HB       CYS  38  -5.578  11.251   6.021
  293   2HB   CYS  38          1HB       CYS  38  -6.024  11.198   4.358
  294    H    GLY  39           H        GLY  39  -4.596   6.949   4.782
  295   1HA   GLY  39          2HA       GLY  39  -6.480   5.112   4.725
  296   2HA   GLY  39          1HA       GLY  39  -7.132   6.046   3.414
  297    H    GLY  40           H        GLY  40  -6.888   5.128   1.569
  298   1HA   GLY  40          2HA       GLY  40  -5.968   3.966  -0.287
  299   2HA   GLY  40          1HA       GLY  40  -4.397   4.064   0.500
  300    H    ASN  41           H        ASN  41  -6.131   1.738  -0.768
  301    HA   ASN  41           HA       ASN  41  -6.578  -0.116   1.443
  302   1HB   ASN  41          2HB       ASN  41  -6.908  -1.757  -0.413
  303   2HB   ASN  41          1HB       ASN  41  -7.781  -0.277  -0.704
  304   1HD2  ASN  41          2HD2      ASN  41  -6.256  -0.096  -3.798
  305   2HD2  ASN  41          1HD2      ASN  41  -7.717  -0.076  -2.942
  306    H    GLU  42           H        GLU  42  -5.266  -2.423   0.176
  307    HA   GLU  42           HA       GLU  42  -2.710  -2.311   1.636
  308   1HB   GLU  42          2HB       GLU  42  -4.037  -4.657   0.242
  309   2HB   GLU  42          1HB       GLU  42  -2.827  -4.737   1.509
  310   1HG   GLU  42          2HG       GLU  42  -5.078  -5.158   2.545
  311   2HG   GLU  42          1HG       GLU  42  -4.565  -3.575   3.084
  312    H    ASN  43           H        ASN  43  -3.429  -1.533  -1.431
  313    HA   ASN  43           HA       ASN  43  -0.854  -2.561  -2.543
  314   1HB   ASN  43          2HB       ASN  43  -3.094  -3.312  -3.371
  315   2HB   ASN  43          1HB       ASN  43  -3.383  -1.696  -4.002
  316   1HD2  ASN  43          2HD2      ASN  43  -1.878  -3.238  -6.892
  317   2HD2  ASN  43          1HD2      ASN  43  -3.391  -2.975  -6.191
  318    H    LYS  44           H        LYS  44  -0.470  -0.611  -1.083
  319    HA   LYS  44           HA       LYS  44   0.369   1.629  -2.861
  320   1HB   LYS  44          2HB       LYS  44  -0.466   3.344  -1.087
  321   2HB   LYS  44          1HB       LYS  44  -1.681   2.539  -2.026
  322   1HG   LYS  44          2HG       LYS  44  -2.626   2.602   0.120
  323   2HG   LYS  44          1HG       LYS  44  -2.038   0.963  -0.036
  324   1HD   LYS  44          2HD       LYS  44  -0.454   1.215   1.646
  325   2HD   LYS  44          1HD       LYS  44  -0.010   2.810   1.108
  326   1HE   LYS  44          2HE       LYS  44  -0.916   2.928   3.378
  327   2HE   LYS  44          1HE       LYS  44  -1.864   3.848   2.235
  328   1HZ   LYS  44          3HZ       LYS  44  -3.024   1.301   2.208
  329   2HZ   LYS  44          2HZ       LYS  44  -2.791   1.680   3.827
  330   3HZ   LYS  44          1HZ       LYS  44  -3.632   2.715   2.839
  331    H    PHE  45           H        PHE  45   2.371   0.929  -2.764
  332    HA   PHE  45           HA       PHE  45   3.972   0.784  -0.268
  333   1HB   PHE  45          2HB       PHE  45   4.582  -0.096  -3.113
  334   2HB   PHE  45          1HB       PHE  45   5.518  -0.502  -1.694
  335    HD1  PHE  45           HD1      PHE  45   4.365  -1.719   0.160
  336    HD2  PHE  45           HD2      PHE  45   2.711  -1.495  -3.747
  337    HE1  PHE  45           HE1      PHE  45   2.990  -3.710   0.636
  338    HE2  PHE  45           HE2      PHE  45   1.349  -3.486  -3.286
  339    HZ   PHE  45           HZ       PHE  45   1.468  -4.574  -1.099
  340    H    GLY  46           H        GLY  46   6.209   1.398  -0.400
  341   1HA   GLY  46          2HA       GLY  46   6.576   4.253  -1.097
  342   2HA   GLY  46          1HA       GLY  46   7.739   3.219  -0.263
  343    H    SER  47           H        SER  47   7.915   1.251  -2.154
  344    HA   SER  47           HA       SER  47   9.018   2.503  -4.619
  345   1HB   SER  47          2HB       SER  47  11.140   1.322  -4.470
  346   2HB   SER  47          1HB       SER  47  10.882   2.067  -2.884
  347    HG   SER  47           HG       SER  47   9.958   0.153  -2.164
  348    H    GLN  48           H        GLN  48   9.241   1.202  -6.462
  349    HA   GLN  48           HA       GLN  48   7.211  -0.715  -6.869
  350   1HB   GLN  48          2HB       GLN  48   8.585   0.404  -8.731
  351   2HB   GLN  48          1HB       GLN  48   9.888  -0.699  -8.369
  352   1HG   GLN  48          2HG       GLN  48   8.007  -2.638  -8.657
  353   2HG   GLN  48          1HG       GLN  48   7.126  -1.381  -9.489
  354   1HE2  GLN  48          2HE2      GLN  48   8.826  -1.964 -12.407
  355   2HE2  GLN  48          1HE2      GLN  48   7.433  -1.363 -11.622
  356    H    LYS  49           H        LYS  49  10.600  -1.325  -6.173
  357    HA   LYS  49           HA       LYS  49  10.288  -4.148  -6.210
  358   1HB   LYS  49          2HB       LYS  49  12.464  -2.362  -6.121
  359   2HB   LYS  49          1HB       LYS  49  12.468  -2.965  -4.482
  360   1HG   LYS  49          2HG       LYS  49  13.935  -4.348  -6.054
  361   2HG   LYS  49          1HG       LYS  49  12.727  -5.266  -5.198
  362   1HD   LYS  49          2HD       LYS  49  12.928  -5.866  -7.695
  363   2HD   LYS  49          1HD       LYS  49  11.318  -5.547  -7.166
  364   1HE   LYS  49          2HE       LYS  49  11.512  -3.209  -8.108
  365   2HE   LYS  49          1HE       LYS  49  13.124  -3.618  -8.693
  366   1HZ   LYS  49          2HZ       LYS  49  11.274  -5.666  -9.394
  367   2HZ   LYS  49          1HZ       LYS  49  10.582  -4.279  -9.833
  368   3HZ   LYS  49          3HZ       LYS  49  12.085  -4.690 -10.488
  369    H    GLU  50           H        GLU  50  10.078  -1.864  -3.439
  370    HA   GLU  50           HA       GLU  50   9.831  -3.681  -1.380
  371   1HB   GLU  50          2HB       GLU  50   9.850  -1.399  -0.987
  372   2HB   GLU  50          1HB       GLU  50   8.553  -1.119  -2.139
  373   1HG   GLU  50          2HG       GLU  50   6.967  -2.334  -0.443
  374   2HG   GLU  50          1HG       GLU  50   8.274  -2.134   0.722
  375    H    CYS  51           H        CYS  51   7.350  -2.346  -3.389
  376    HA   CYS  51           HA       CYS  51   5.017  -3.795  -2.817
  377   1HB   CYS  51          2HB       CYS  51   4.541  -2.219  -4.449
  378   2HB   CYS  51          1HB       CYS  51   6.097  -2.361  -5.185
  379    H    GLU  52           H        GLU  52   7.157  -4.517  -5.433
  380    HA   GLU  52           HA       GLU  52   6.194  -7.003  -6.316
  381   1HB   GLU  52          2HB       GLU  52   8.068  -5.313  -7.096
  382   2HB   GLU  52          1HB       GLU  52   9.139  -6.181  -6.024
  383   1HG   GLU  52          2HG       GLU  52   8.939  -8.228  -7.390
  384   2HG   GLU  52          1HG       GLU  52   7.638  -7.521  -8.342
  385    H    LYS  53           H        LYS  53   8.656  -6.429  -3.883
  386    HA   LYS  53           HA       LYS  53   8.691  -9.150  -2.995
  387   1HB   LYS  53          2HB       LYS  53  10.557  -7.689  -2.847
  388   2HB   LYS  53          1HB       LYS  53   9.755  -6.435  -1.999
  389   1HG   LYS  53          2HG       LYS  53   9.804  -9.008  -0.451
  390   2HG   LYS  53          1HG       LYS  53  11.381  -8.588  -1.027
  391   1HD   LYS  53          2HD       LYS  53  11.345  -7.460   1.038
  392   2HD   LYS  53          1HD       LYS  53  10.960  -6.176  -0.072
  393   1HE   LYS  53          2HE       LYS  53   8.974  -7.764   1.595
  394   2HE   LYS  53          1HE       LYS  53   9.516  -6.128   1.948
  395   1HZ   LYS  53          1HZ       LYS  53   8.574  -6.236  -0.752
  396   2HZ   LYS  53          3HZ       LYS  53   7.454  -6.964   0.221
  397   3HZ   LYS  53          2HZ       LYS  53   7.902  -5.345   0.470
  398    H    VAL  54           H        VAL  54   5.937  -7.549  -2.718
  399    HA   VAL  54           HA       VAL  54   5.163  -8.595  -0.045
  400    HB   VAL  54           HB       VAL  54   4.237  -6.251  -1.711
  401   1HG1  VAL  54          2HG1      VAL  54   2.323  -7.406  -0.440
  402   2HG1  VAL  54          1HG1      VAL  54   3.229  -7.283   1.046
  403   3HG1  VAL  54          3HG1      VAL  54   2.614  -5.839   0.274
  404   1HG2  VAL  54          2HG2      VAL  54   5.488  -6.300   1.074
  405   2HG2  VAL  54          1HG2      VAL  54   6.174  -5.672  -0.438
  406   3HG2  VAL  54          3HG2      VAL  54   4.830  -4.867   0.297
  407    H    CYS  55           H        CYS  55   4.266  -7.884  -3.326
  408    HA   CYS  55           HA       CYS  55   2.089  -9.958  -3.329
  409   1HB   CYS  55          2HB       CYS  55   1.306  -7.835  -4.120
  410   2HB   CYS  55          1HB       CYS  55   2.692  -7.617  -5.165
  411    H    ALA  56           H        ALA  56   5.076  -9.273  -5.008
  412    HA   ALA  56           HA       ALA  56   4.762 -11.556  -6.858
  413   1HB   ALA  56          2HB       ALA  56   5.675  -9.381  -7.668
  414   2HB   ALA  56          1HB       ALA  56   7.000  -9.528  -6.527
  415   3HB   ALA  56          3HB       ALA  56   6.875 -10.661  -7.835
  416    HA   PRO  57           HA       PRO  57   7.101 -13.896  -3.603
  417   1HB   PRO  57          2HB       PRO  57   6.070 -16.351  -4.116
  418   2HB   PRO  57          1HB       PRO  57   5.115 -15.125  -3.262
  419   1HG   PRO  57          2HG       PRO  57   5.181 -15.630  -6.304
  420   2HG   PRO  57          1HG       PRO  57   3.754 -15.757  -5.264
  421   1HD   PRO  57          2HD       PRO  57   4.175 -13.417  -6.503
  422   2HD   PRO  57          1HD       PRO  57   3.795 -13.381  -4.769
  423    H    VAL  58           HN       VAL  58   8.924 -13.180  -5.034
  424    HA   VAL  58           HA       VAL  58  10.145 -15.522  -6.400
  425    HB   VAL  58           HB       VAL  58  11.325 -13.703  -7.903
  426   1HG1  VAL  58          3HG1      VAL  58   9.348 -15.061  -8.709
  427   2HG1  VAL  58          2HG1      VAL  58   8.264 -13.864  -8.020
  428   3HG1  VAL  58          1HG1      VAL  58   9.298 -13.430  -9.379
  429   1HG2  VAL  58          2HG2      VAL  58  10.829 -11.775  -6.452
  430   2HG2  VAL  58          1HG2      VAL  58  10.205 -11.490  -8.068
  431   3HG2  VAL  58          3HG2      VAL  58   9.118 -11.936  -6.763
   
  No H/Q in entry =         431
  Start of MODEL    6
    1   1H    GLU   1          1H        GLU   1 -10.106 -11.266   3.362
    2   2H    GLU   1          3H        GLU   1 -10.563 -10.555   4.852
    3   3H    GLU   1          2H        GLU   1 -10.841  -9.712   3.451
    4    HA   GLU   1           HA       GLU   1  -8.802  -8.804   3.460
    5   1HB   GLU   1          2HB       GLU   1  -8.675 -10.343   6.155
    6   2HB   GLU   1          1HB       GLU   1  -7.592  -9.043   5.708
    7   1HG   GLU   1          2HG       GLU   1  -9.791  -8.416   7.152
    8   2HG   GLU   1          1HG       GLU   1  -9.368  -7.353   5.827
    9    H    THR   2           H        THR   2  -8.678 -10.437   1.647
   10    HA   THR   2           HA       THR   2  -6.318 -12.218   2.052
   11    HB   THR   2           HB       THR   2  -8.230 -13.150  -0.121
   12    HG1  THR   2           HG1      THR   2  -9.603 -13.873   1.825
   13   1HG2  THR   2          3HG2      THR   2  -7.648 -14.435   2.627
   14   2HG2  THR   2          2HG2      THR   2  -8.267 -15.254   1.211
   15   3HG2  THR   2          1HG2      THR   2  -6.608 -14.723   1.248
   16    H    ASP   3           H        ASP   3  -5.362 -12.861  -0.105
   17    HA   ASP   3           HA       ASP   3  -3.707 -11.587  -1.392
   18   1HB   ASP   3          2HB       ASP   3  -5.042 -13.683  -2.068
   19   2HB   ASP   3          1HB       ASP   3  -5.988 -12.619  -3.084
   20    H    ILE   4           H        ILE   4  -4.234  -9.550  -0.600
   21    HA   ILE   4           HA       ILE   4  -5.647  -7.411  -1.653
   22    HB   ILE   4           HB       ILE   4  -4.085  -6.052  -0.437
   23   1HG1  ILE   4          2HG1      ILE   4  -2.158  -7.481   0.803
   24   2HG1  ILE   4          1HG1      ILE   4  -2.311  -8.546  -0.574
   25   1HG2  ILE   4          2HG2      ILE   4  -5.716  -7.318   0.867
   26   2HG2  ILE   4          1HG2      ILE   4  -4.643  -8.695   1.016
   27   3HG2  ILE   4          3HG2      ILE   4  -4.243  -7.167   1.777
   28   1HD1  ILE   4          2HD1      ILE   4  -1.779  -6.615  -2.117
   29   2HD1  ILE   4          1HD1      ILE   4  -1.613  -5.579  -0.710
   30   3HD1  ILE   4          3HD1      ILE   4  -0.505  -6.913  -0.971
   31    H    CYS   5           H        CYS   5  -3.360  -9.074  -3.251
   32    HA   CYS   5           HA       CYS   5  -2.427  -6.816  -4.938
   33   1HB   CYS   5          2HB       CYS   5  -1.580  -9.649  -4.455
   34   2HB   CYS   5          1HB       CYS   5  -0.924  -8.756  -5.807
   35    H    LYS   6           H        LYS   6  -5.020  -8.749  -4.984
   36    HA   LYS   6           HA       LYS   6  -5.261  -8.690  -7.997
   37   1HB   LYS   6          2HB       LYS   6  -6.504 -10.511  -5.866
   38   2HB   LYS   6          1HB       LYS   6  -6.914 -10.592  -7.571
   39   1HG   LYS   6          2HG       LYS   6  -4.537 -11.121  -8.135
   40   2HG   LYS   6          1HG       LYS   6  -4.096 -10.883  -6.449
   41   1HD   LYS   6          2HD       LYS   6  -5.549 -12.794  -5.746
   42   2HD   LYS   6          1HD       LYS   6  -6.130 -13.008  -7.371
   43   1HE   LYS   6          2HE       LYS   6  -4.399 -14.692  -6.604
   44   2HE   LYS   6          1HE       LYS   6  -3.947 -13.892  -8.099
   45   1HZ   LYS   6          3HZ       LYS   6  -3.206 -12.334  -5.826
   46   2HZ   LYS   6          2HZ       LYS   6  -2.680 -13.799  -5.538
   47   3HZ   LYS   6          1HZ       LYS   6  -2.076 -12.977  -6.917
   48    H    LEU   7           H        LEU   7  -5.680  -6.637  -6.024
   49    HA   LEU   7           HA       LEU   7  -8.490  -6.025  -6.301
   50   1HB   LEU   7          2HB       LEU   7  -6.366  -4.656  -4.593
   51   2HB   LEU   7          1HB       LEU   7  -8.072  -4.346  -4.469
   52    HG   LEU   7           HG       LEU   7  -6.633  -6.933  -3.747
   53   1HD1  LEU   7          3HD1      LEU   7  -8.065  -4.766  -2.107
   54   2HD1  LEU   7          2HD1      LEU   7  -7.383  -6.222  -1.433
   55   3HD1  LEU   7          1HD1      LEU   7  -6.339  -5.026  -2.160
   56   1HD2  LEU   7          3HD2      LEU   7  -9.594  -6.151  -3.458
   57   2HD2  LEU   7          2HD2      LEU   7  -8.987  -7.347  -4.597
   58   3HD2  LEU   7          1HD2      LEU   7  -8.868  -7.638  -2.876
   59    HA   PRO   8           HA       PRO   8  -7.133  -2.197  -8.516
   60   1HB   PRO   8          2HB       PRO   8  -9.236  -0.559  -8.096
   61   2HB   PRO   8          1HB       PRO   8  -9.440  -1.999  -9.111
   62   1HG   PRO   8          2HG       PRO   8  -9.954  -1.783  -6.074
   63   2HG   PRO   8          1HG       PRO   8 -11.144  -2.230  -7.302
   64   1HD   PRO   8          2HD       PRO   8  -9.751  -4.163  -5.975
   65   2HD   PRO   8          1HD       PRO   8 -10.046  -4.361  -7.718
   66    H    LYS   9           H        LYS   9  -6.833   0.095  -7.895
   67    HA   LYS   9           HA       LYS   9  -5.683   0.105  -5.169
   68   1HB   LYS   9          2HB       LYS   9  -4.781   1.111  -7.734
   69   2HB   LYS   9          1HB       LYS   9  -4.864   2.492  -6.668
   70   1HG   LYS   9          2HG       LYS   9  -3.357  -0.132  -6.228
   71   2HG   LYS   9          1HG       LYS   9  -2.679   1.478  -6.445
   72   1HD   LYS   9          2HD       LYS   9  -3.251   2.208  -4.262
   73   2HD   LYS   9          1HD       LYS   9  -4.534   1.074  -4.060
   74   1HE   LYS   9          2HE       LYS   9  -2.705  -0.720  -4.142
   75   2HE   LYS   9          1HE       LYS   9  -1.666   0.610  -3.636
   76   1HZ   LYS   9          1HZ       LYS   9  -4.148   0.827  -2.277
   77   2HZ   LYS   9          3HZ       LYS   9  -3.732  -0.716  -2.074
   78   3HZ   LYS   9          2HZ       LYS   9  -2.728   0.494  -1.515
   79    H    ASP  10           H        ASP  10  -5.206   2.567  -4.635
   80    HA   ASP  10           HA       ASP  10  -7.813   3.698  -3.782
   81   1HB   ASP  10          2HB       ASP  10  -5.325   4.468  -2.246
   82   2HB   ASP  10          1HB       ASP  10  -6.878   3.934  -1.660
   83    H    GLU  11           H        GLU  11  -8.277   5.812  -4.489
   84    HA   GLU  11           HA       GLU  11  -6.022   7.521  -5.385
   85   1HB   GLU  11          2HB       GLU  11  -8.148   8.256  -7.184
   86   2HB   GLU  11          1HB       GLU  11  -7.014   7.010  -7.625
   87   1HG   GLU  11          2HG       GLU  11  -9.334   6.224  -7.985
   88   2HG   GLU  11          1HG       GLU  11  -8.646   5.286  -6.684
   89    H    GLY  12           H        GLY  12  -9.544   8.227  -5.063
   90   1HA   GLY  12          2HA       GLY  12  -8.765  10.737  -3.624
   91   2HA   GLY  12          1HA       GLY  12 -10.371  10.369  -4.258
   92    H    THR  13           H        THR  13  -8.094   9.033  -1.947
   93    HA   THR  13           HA       THR  13 -10.281   7.960  -0.250
   94    HB   THR  13           HB       THR  13  -7.907   6.892  -0.248
   95    HG1  THR  13           HG1      THR  13  -9.364   7.809   1.967
   96   1HG2  THR  13          3HG2      THR  13  -6.615   9.105   0.112
   97   2HG2  THR  13          2HG2      THR  13  -7.342   9.189   1.698
   98   3HG2  THR  13          1HG2      THR  13  -6.273   7.868   1.304
   99    H    CYS  14           H        CYS  14  -8.202  10.678  -0.198
  100    HA   CYS  14           HA       CYS  14 -10.038  12.284   1.451
  101   1HB   CYS  14          2HB       CYS  14  -7.405  11.239   2.389
  102   2HB   CYS  14          1HB       CYS  14  -7.611  12.918   2.705
  103    H    ARG  15           H        ARG  15  -8.250  14.465   1.780
  104    HA   ARG  15           HA       ARG  15  -7.795  15.254  -1.107
  105   1HB   ARG  15          2HB       ARG  15  -9.660  16.445   0.142
  106   2HB   ARG  15          1HB       ARG  15  -8.478  17.017   1.307
  107   1HG   ARG  15          2HG       ARG  15  -7.255  18.259  -0.505
  108   2HG   ARG  15          1HG       ARG  15  -8.373  17.634  -1.694
  109   1HD   ARG  15          2HD       ARG  15 -10.184  18.959  -0.754
  110   2HD   ARG  15          1HD       ARG  15  -9.238  19.309   0.698
  111    HE   ARG  15           HE       ARG  15  -7.588  20.558  -0.802
  112   1HH1  ARG  15          1HH2      ARG  15  -8.374  19.616  -3.218
  113   2HH1  ARG  15          2HH2      ARG  15  -9.265  20.905  -3.971
  114   1HH2  ARG  15          2HH1      ARG  15  -9.672  22.218  -0.765
  115   2HH2  ARG  15          1HH1      ARG  15 -10.084  22.548  -2.417
  116    H    ASP  16           H        ASP  16  -6.001  13.907   0.747
  117    HA   ASP  16           HA       ASP  16  -3.719  15.801   0.831
  118   1HB   ASP  16          2HB       ASP  16  -2.990  14.246   2.780
  119   2HB   ASP  16          1HB       ASP  16  -4.567  14.939   3.088
  120    H    PHE  17           H        PHE  17  -4.598  14.066  -1.326
  121    HA   PHE  17           HA       PHE  17  -3.405  11.906  -2.237
  122   1HB   PHE  17          2HB       PHE  17  -3.081  14.481  -3.732
  123   2HB   PHE  17          1HB       PHE  17  -2.824  12.920  -4.425
  124    HD1  PHE  17           HD1      PHE  17  -5.492  14.977  -2.841
  125    HD2  PHE  17           HD2      PHE  17  -4.549  11.508  -5.110
  126    HE1  PHE  17           HE1      PHE  17  -7.894  14.615  -3.325
  127    HE2  PHE  17           HE2      PHE  17  -6.919  11.159  -5.590
  128    HZ   PHE  17           HZ       PHE  17  -8.596  12.720  -4.699
  129    H    ILE  18           H        ILE  18  -1.568  11.117  -1.187
  130    HA   ILE  18           HA       ILE  18   1.038  12.442  -1.933
  131    HB   ILE  18           HB       ILE  18   2.072  11.153  -0.054
  132   1HG1  ILE  18          2HG1      ILE  18   0.274   9.602   1.258
  133   2HG1  ILE  18          1HG1      ILE  18  -0.364   9.445  -0.356
  134   1HG2  ILE  18          3HG2      ILE  18   0.706  13.071   0.749
  135   2HG2  ILE  18          2HG2      ILE  18  -0.655  11.992   0.959
  136   3HG2  ILE  18          1HG2      ILE  18   0.786  11.765   1.913
  137   1HD1  ILE  18          2HD1      ILE  18   2.535   8.892   0.394
  138   2HD1  ILE  18          1HD1      ILE  18   1.294   7.686   0.126
  139   3HD1  ILE  18          3HD1      ILE  18   1.852   8.681  -1.205
  140    H    LEU  19           H        LEU  19   2.680  10.922  -2.917
  141    HA   LEU  19           HA       LEU  19   1.271   9.048  -4.699
  142   1HB   LEU  19          2HB       LEU  19   2.657   9.815  -6.270
  143   2HB   LEU  19          1HB       LEU  19   3.101  11.030  -5.132
  144    HG   LEU  19           HG       LEU  19   5.013   9.282  -4.312
  145   1HD1  LEU  19          1HD1      LEU  19   4.492   8.248  -7.128
  146   2HD1  LEU  19          3HD1      LEU  19   5.832   7.804  -6.084
  147   3HD1  LEU  19          2HD1      LEU  19   4.212   7.323  -5.671
  148   1HD2  LEU  19          2HD2      LEU  19   5.259  10.596  -7.048
  149   2HD2  LEU  19          1HD2      LEU  19   5.547  11.397  -5.514
  150   3HD2  LEU  19          3HD2      LEU  19   6.582  10.081  -6.019
  151    H    LYS  20           H        LYS  20   1.737   6.939  -4.928
  152    HA   LYS  20           HA       LYS  20   3.876   5.594  -3.335
  153   1HB   LYS  20          2HB       LYS  20   0.866   5.123  -3.032
  154   2HB   LYS  20          1HB       LYS  20   1.983   3.841  -2.604
  155   1HG   LYS  20          2HG       LYS  20   2.401   6.600  -1.431
  156   2HG   LYS  20          1HG       LYS  20   1.083   5.671  -0.791
  157   1HD   LYS  20          2HD       LYS  20   3.906   4.506  -0.975
  158   2HD   LYS  20          1HD       LYS  20   3.483   5.554   0.353
  159   1HE   LYS  20          2HE       LYS  20   1.748   4.095   1.145
  160   2HE   LYS  20          1HE       LYS  20   1.804   3.145  -0.319
  161   1HZ   LYS  20          3HZ       LYS  20   4.423   3.010   0.772
  162   2HZ   LYS  20          2HZ       LYS  20   3.367   2.754   2.063
  163   3HZ   LYS  20          1HZ       LYS  20   3.258   1.786   0.749
  164    H    TRP  21           H        TRP  21   3.624   3.025  -3.844
  165    HA   TRP  21           HA       TRP  21   3.315   2.731  -6.791
  166   1HB   TRP  21          2HB       TRP  21   5.155   1.198  -4.854
  167   2HB   TRP  21          1HB       TRP  21   4.967   0.807  -6.543
  168    HD1  TRP  21           HD1      TRP  21   6.441   3.588  -4.269
  169    HE1  TRP  21           HE1      TRP  21   8.226   4.702  -5.674
  170    HE3  TRP  21           HE3      TRP  21   5.769   1.200  -8.639
  171    HZ2  TRP  21           HZ2      TRP  21   9.353   4.588  -8.296
  172    HZ3  TRP  21           HZ3      TRP  21   7.189   1.655 -10.597
  173    HH2  TRP  21           HH2      TRP  21   9.003   3.348 -10.454
  174    H    TYR  22           H        TYR  22   2.168   0.864  -7.380
  175    HA   TYR  22           HA       TYR  22   1.090  -0.814  -5.150
  176   1HB   TYR  22          2HB       TYR  22  -1.146  -0.317  -5.678
  177   2HB   TYR  22          1HB       TYR  22  -0.443   1.223  -6.105
  178    HD1  TYR  22           HD2      TYR  22  -1.843  -1.887  -7.354
  179    HD2  TYR  22           HD1      TYR  22  -0.306   1.904  -8.519
  180    HE1  TYR  22           HE2      TYR  22  -2.784  -2.210  -9.614
  181    HE2  TYR  22           HE1      TYR  22  -1.281   1.528 -10.800
  182    HH   TYR  22           HH       TYR  22  -2.028  -1.012 -12.148
  183    H    TYR  23           H        TYR  23   0.301  -2.818  -5.805
  184    HA   TYR  23           HA       TYR  23   1.865  -3.949  -8.029
  185   1HB   TYR  23          2HB       TYR  23   1.564  -5.053  -5.750
  186   2HB   TYR  23          1HB       TYR  23  -0.123  -5.311  -6.202
  187    HD1  TYR  23           HD1      TYR  23   3.292  -5.976  -7.634
  188    HD2  TYR  23           HD2      TYR  23  -0.760  -7.199  -7.290
  189    HE1  TYR  23           HE1      TYR  23   3.789  -8.046  -8.927
  190    HE2  TYR  23           HE2      TYR  23  -0.218  -9.253  -8.582
  191    HH   TYR  23           HH       TYR  23   2.728 -10.287  -8.969
  192    H    ASP  24           H        ASP  24   1.137  -4.104  -9.934
  193    HA   ASP  24           HA       ASP  24  -1.737  -3.826 -10.600
  194   1HB   ASP  24          2HB       ASP  24  -0.162  -2.220 -11.410
  195   2HB   ASP  24          1HB       ASP  24   0.786  -3.436 -12.213
  196    HA   PRO  25           HA       PRO  25  -1.127  -8.441 -11.033
  197   1HB   PRO  25          2HB       PRO  25  -3.879  -8.930 -11.252
  198   2HB   PRO  25          1HB       PRO  25  -3.009  -8.818  -9.713
  199   1HG   PRO  25          2HG       PRO  25  -4.415  -6.547 -11.214
  200   2HG   PRO  25          1HG       PRO  25  -4.680  -7.043  -9.534
  201   1HD   PRO  25          2HD       PRO  25  -3.072  -5.035  -9.943
  202   2HD   PRO  25          1HD       PRO  25  -2.422  -6.312  -8.894
  203    H    ASN  26           H        ASN  26  -2.318  -6.136 -13.258
  204    HA   ASN  26           HA       ASN  26  -2.675  -8.092 -15.455
  205   1HB   ASN  26          2HB       ASN  26  -2.980  -5.050 -15.217
  206   2HB   ASN  26          1HB       ASN  26  -3.244  -5.913 -16.722
  207   1HD2  ASN  26          2HD2      ASN  26  -6.494  -6.605 -15.715
  208   2HD2  ASN  26          1HD2      ASN  26  -5.428  -6.278 -17.013
  209    H    THR  27           H        THR  27  -0.226  -6.284 -14.133
  210    HA   THR  27           HA       THR  27   1.592  -6.526 -16.540
  211    HB   THR  27           HB       THR  27   3.088  -4.846 -15.406
  212    HG1  THR  27           HG1      THR  27   1.082  -4.617 -13.438
  213   1HG2  THR  27          3HG2      THR  27   0.183  -3.950 -15.097
  214   2HG2  THR  27          2HG2      THR  27   1.579  -2.900 -15.145
  215   3HG2  THR  27          1HG2      THR  27   1.096  -3.804 -16.571
  216    H    LYS  28           H        LYS  28   1.238  -6.922 -13.202
  217    HA   LYS  28           HA       LYS  28   1.785  -8.392 -11.648
  218   1HB   LYS  28          2HB       LYS  28   3.647  -9.706 -13.758
  219   2HB   LYS  28          1HB       LYS  28   3.241 -10.351 -12.178
  220   1HG   LYS  28          2HG       LYS  28   0.793 -10.416 -12.888
  221   2HG   LYS  28          1HG       LYS  28   1.279  -9.883 -14.468
  222   1HD   LYS  28          2HD       LYS  28   1.147 -12.496 -14.409
  223   2HD   LYS  28          1HD       LYS  28   2.727 -11.910 -14.846
  224   1HE   LYS  28          2HE       LYS  28   2.772 -13.753 -13.167
  225   2HE   LYS  28          1HE       LYS  28   3.605 -12.330 -12.598
  226   1HZ   LYS  28          2HZ       LYS  28   0.806 -12.127 -11.940
  227   2HZ   LYS  28          1HZ       LYS  28   1.520 -13.592 -11.364
  228   3HZ   LYS  28          3HZ       LYS  28   2.143 -12.190 -10.907
  229    H    SER  29           H        SER  29   2.893  -5.980 -12.159
  230    HA   SER  29           HA       SER  29   5.356  -6.283 -10.635
  231   1HB   SER  29          2HB       SER  29   6.538  -4.727 -12.293
  232   2HB   SER  29          1HB       SER  29   5.711  -5.958 -13.241
  233    HG   SER  29           HG       SER  29   3.800  -4.446 -13.231
  234    H    CYS  30           H        CYS  30   5.654  -3.265 -10.716
  235    HA   CYS  30           HA       CYS  30   3.185  -2.461  -9.328
  236   1HB   CYS  30          2HB       CYS  30   6.012  -2.043  -8.370
  237   2HB   CYS  30          1HB       CYS  30   4.558  -1.586  -7.519
  238    H    ALA  31           H        ALA  31   2.539  -0.427  -9.719
  239    HA   ALA  31           HA       ALA  31   4.297   1.371 -11.334
  240   1HB   ALA  31          1HB       ALA  31   1.267   0.843 -11.598
  241   2HB   ALA  31          3HB       ALA  31   2.160   1.997 -12.578
  242   3HB   ALA  31          2HB       ALA  31   2.495   0.280 -12.707
  243    H    ARG  32           H        ARG  32   3.372   3.585 -11.165
  244    HA   ARG  32           HA       ARG  32   2.975   4.218  -8.324
  245   1HB   ARG  32          2HB       ARG  32   4.448   5.424 -10.533
  246   2HB   ARG  32          1HB       ARG  32   3.603   6.638  -9.568
  247   1HG   ARG  32          2HG       ARG  32   4.668   5.729  -7.490
  248   2HG   ARG  32          1HG       ARG  32   5.383   4.428  -8.392
  249   1HD   ARG  32          2HD       ARG  32   6.099   7.388  -8.755
  250   2HD   ARG  32          1HD       ARG  32   7.039   6.197  -7.871
  251    HE   ARG  32           HE       ARG  32   7.094   4.827 -10.054
  252   1HH1  ARG  32          1HH2      ARG  32   5.391   7.017 -11.088
  253   2HH1  ARG  32          2HH2      ARG  32   6.408   7.753 -12.293
  254   1HH2  ARG  32          2HH1      ARG  32   9.064   6.047 -10.824
  255   2HH2  ARG  32          1HH1      ARG  32   8.690   7.133 -12.119
  256    H    PHE  33           H        PHE  33   1.597   5.558  -7.495
  257    HA   PHE  33           HA       PHE  33  -0.500   6.862  -9.158
  258   1HB   PHE  33          2HB       PHE  33  -2.354   5.597  -8.213
  259   2HB   PHE  33          1HB       PHE  33  -1.139   4.418  -8.609
  260    HD1  PHE  33           HD1      PHE  33   0.535   3.790  -6.607
  261    HD2  PHE  33           HD2      PHE  33  -3.295   5.567  -6.105
  262    HE1  PHE  33           HE1      PHE  33   0.435   2.980  -4.272
  263    HE2  PHE  33           HE2      PHE  33  -3.385   4.752  -3.805
  264    HZ   PHE  33           HZ       PHE  33  -1.528   3.488  -2.885
  265    H    TRP  34           H        TRP  34  -2.076   8.073  -7.887
  266    HA   TRP  34           HA       TRP  34  -0.846   9.595  -5.612
  267   1HB   TRP  34          2HB       TRP  34  -2.595  10.382  -8.044
  268   2HB   TRP  34          1HB       TRP  34  -2.664  11.418  -6.700
  269    HD1  TRP  34           HD1      TRP  34  -1.075  11.001  -9.595
  270    HE1  TRP  34           HE1      TRP  34   1.141  12.390  -9.648
  271    HE3  TRP  34           HE3      TRP  34  -0.532  11.970  -4.721
  272    HZ2  TRP  34           HZ2      TRP  34   2.854  13.725  -7.878
  273    HZ3  TRP  34           HZ3      TRP  34   1.347  13.330  -3.894
  274    HH2  TRP  34           HH2      TRP  34   3.050  14.200  -5.449
  275    H    TYR  35           H        TYR  35  -1.888   9.044  -3.623
  276    HA   TYR  35           HA       TYR  35  -4.858   8.624  -3.805
  277   1HB   TYR  35          2HB       TYR  35  -4.754   6.579  -2.942
  278   2HB   TYR  35          1HB       TYR  35  -3.089   6.667  -3.430
  279    HD1  TYR  35           HD1      TYR  35  -1.273   7.046  -1.660
  280    HD2  TYR  35           HD2      TYR  35  -5.361   6.446  -0.635
  281    HE1  TYR  35           HE1      TYR  35  -0.645   6.473   0.660
  282    HE2  TYR  35           HE2      TYR  35  -4.686   5.876   1.668
  283    HH   TYR  35           HH       TYR  35  -2.885   6.286   3.145
  284    H    GLY  36           H        GLY  36  -2.407   9.442  -1.503
  285   1HA   GLY  36          2HA       GLY  36  -2.919  11.523  -0.029
  286   2HA   GLY  36          1HA       GLY  36  -4.524  10.825   0.164
  287    H    GLY  37           H        GLY  37  -4.192  10.784   2.407
  288   1HA   GLY  37          2HA       GLY  37  -2.254   8.621   3.245
  289   2HA   GLY  37          1HA       GLY  37  -2.614  10.019   4.255
  290    H    CYS  38           H        CYS  38  -4.989  10.219   4.662
  291    HA   CYS  38           HA       CYS  38  -6.177   8.910   6.505
  292   1HB   CYS  38          2HB       CYS  38  -7.487   9.221   3.819
  293   2HB   CYS  38          1HB       CYS  38  -8.387   8.782   5.247
  294    H    GLY  39           H        GLY  39  -7.007   6.994   3.578
  295   1HA   GLY  39          2HA       GLY  39  -6.546   4.567   5.301
  296   2HA   GLY  39          1HA       GLY  39  -8.045   4.736   4.455
  297    H    GLY  40           H        GLY  40  -7.965   4.464   2.164
  298   1HA   GLY  40          2HA       GLY  40  -7.438   3.096   0.240
  299   2HA   GLY  40          1HA       GLY  40  -5.774   3.555   0.568
  300    H    ASN  41           H        ASN  41  -6.258   0.976  -0.471
  301    HA   ASN  41           HA       ASN  41  -6.227  -0.813   1.907
  302   1HB   ASN  41          2HB       ASN  41  -6.581  -2.661   0.328
  303   2HB   ASN  41          1HB       ASN  41  -7.738  -1.389   0.057
  304   1HD2  ASN  41          2HD2      ASN  41  -6.951  -1.483  -3.324
  305   2HD2  ASN  41          1HD2      ASN  41  -8.117  -1.357  -2.101
  306    H    GLU  42           H        GLU  42  -4.755  -2.493   2.105
  307    HA   GLU  42           HA       GLU  42  -2.227  -2.331   2.673
  308   1HB   GLU  42          2HB       GLU  42  -3.103  -4.763   1.061
  309   2HB   GLU  42          1HB       GLU  42  -2.064  -4.706   2.463
  310   1HG   GLU  42          2HG       GLU  42  -4.247  -5.603   3.183
  311   2HG   GLU  42          1HG       GLU  42  -4.207  -3.980   3.813
  312    H    ASN  43           H        ASN  43  -3.061  -3.283  -0.489
  313    HA   ASN  43           HA       ASN  43  -0.678  -3.589  -1.899
  314   1HB   ASN  43          2HB       ASN  43  -2.959  -4.081  -2.684
  315   2HB   ASN  43          1HB       ASN  43  -3.351  -2.418  -2.883
  316   1HD2  ASN  43          2HD2      ASN  43  -2.263  -4.233  -6.049
  317   2HD2  ASN  43          1HD2      ASN  43  -3.115  -4.881  -4.694
  318    H    LYS  44           H        LYS  44  -1.183  -0.726  -0.470
  319    HA   LYS  44           HA       LYS  44   0.250   0.939  -2.494
  320   1HB   LYS  44          2HB       LYS  44  -0.311   2.861  -0.958
  321   2HB   LYS  44          1HB       LYS  44  -1.731   1.994  -1.424
  322   1HG   LYS  44          2HG       LYS  44  -1.767   0.776   0.738
  323   2HG   LYS  44          1HG       LYS  44  -0.308   1.562   1.250
  324   1HD   LYS  44          2HD       LYS  44  -1.346   3.799   1.025
  325   2HD   LYS  44          1HD       LYS  44  -2.790   3.122   0.336
  326   1HE   LYS  44          2HE       LYS  44  -1.840   2.568   3.180
  327   2HE   LYS  44          1HE       LYS  44  -3.070   3.738   2.721
  328   1HZ   LYS  44          2HZ       LYS  44  -3.750   1.434   1.338
  329   2HZ   LYS  44          1HZ       LYS  44  -3.445   0.904   2.929
  330   3HZ   LYS  44          3HZ       LYS  44  -4.523   2.141   2.663
  331    H    PHE  45           H        PHE  45   2.356   0.692  -2.587
  332    HA   PHE  45           HA       PHE  45   3.983   0.422  -0.101
  333   1HB   PHE  45          2HB       PHE  45   4.610  -0.358  -2.961
  334   2HB   PHE  45          1HB       PHE  45   5.606  -0.649  -1.549
  335    HD1  PHE  45           HD2      PHE  45   4.726  -2.082   0.304
  336    HD2  PHE  45           HD1      PHE  45   2.758  -1.858  -3.456
  337    HE1  PHE  45           HE2      PHE  45   3.605  -4.197   0.791
  338    HE2  PHE  45           HE1      PHE  45   1.630  -3.982  -2.974
  339    HZ   PHE  45           HZ       PHE  45   2.026  -5.152  -0.867
  340    H    GLY  46           H        GLY  46   5.975   1.598  -0.026
  341   1HA   GLY  46          2HA       GLY  46   5.982   4.374  -1.104
  342   2HA   GLY  46          1HA       GLY  46   7.175   3.665  -0.008
  343    H    SER  47           H        SER  47   7.520   1.396  -1.845
  344    HA   SER  47           HA       SER  47   8.933   2.692  -4.142
  345   1HB   SER  47          2HB       SER  47  10.832   2.513  -2.710
  346   2HB   SER  47          1HB       SER  47  10.417   0.885  -2.156
  347    HG   SER  47           HG       SER  47  11.911   1.533  -4.213
  348    H    GLN  48           H        GLN  48   9.598   1.483  -5.793
  349    HA   GLN  48           HA       GLN  48   7.750  -0.409  -6.842
  350   1HB   GLN  48          2HB       GLN  48   9.285   0.958  -8.256
  351   2HB   GLN  48          1HB       GLN  48  10.679   0.108  -7.626
  352   1HG   GLN  48          2HG       GLN  48   8.434  -1.377  -9.098
  353   2HG   GLN  48          1HG       GLN  48   9.794  -0.705  -9.964
  354   1HE2  GLN  48          2HE2      GLN  48  10.128  -4.313  -8.520
  355   2HE2  GLN  48          1HE2      GLN  48   8.660  -3.483  -8.650
  356    H    LYS  49           H        LYS  49  10.844  -0.879  -5.361
  357    HA   LYS  49           HA       LYS  49  10.813  -3.722  -5.535
  358   1HB   LYS  49          2HB       LYS  49  12.442  -1.629  -3.970
  359   2HB   LYS  49          1HB       LYS  49  12.756  -3.329  -3.692
  360   1HG   LYS  49          2HG       LYS  49  12.690  -2.301  -6.556
  361   2HG   LYS  49          1HG       LYS  49  14.117  -2.002  -5.583
  362   1HD   LYS  49          2HD       LYS  49  14.573  -4.342  -5.270
  363   2HD   LYS  49          1HD       LYS  49  12.949  -4.829  -5.675
  364   1HE   LYS  49          2HE       LYS  49  14.803  -3.561  -7.729
  365   2HE   LYS  49          1HE       LYS  49  14.736  -5.306  -7.443
  366   1HZ   LYS  49          3HZ       LYS  49  12.119  -4.494  -7.517
  367   2HZ   LYS  49          2HZ       LYS  49  12.737  -3.713  -8.839
  368   3HZ   LYS  49          1HZ       LYS  49  12.797  -5.399  -8.620
  369    H    GLU  50           H        GLU  50  10.009  -1.525  -2.958
  370    HA   GLU  50           HA       GLU  50   9.443  -3.215  -0.840
  371   1HB   GLU  50          2HB       GLU  50   9.387  -0.869  -0.777
  372   2HB   GLU  50          1HB       GLU  50   8.013  -0.810  -1.870
  373   1HG   GLU  50          2HG       GLU  50   6.655  -2.027  -0.049
  374   2HG   GLU  50          1HG       GLU  50   8.014  -1.819   1.024
  375    H    CYS  51           H        CYS  51   7.251  -2.201  -3.328
  376    HA   CYS  51           HA       CYS  51   5.049  -3.986  -2.855
  377   1HB   CYS  51          2HB       CYS  51   4.867  -1.927  -4.174
  378   2HB   CYS  51          1HB       CYS  51   6.021  -2.519  -5.319
  379    H    GLU  52           H        GLU  52   7.549  -4.218  -5.371
  380    HA   GLU  52           HA       GLU  52   6.893  -6.699  -6.550
  381   1HB   GLU  52          2HB       GLU  52   8.520  -5.027  -7.285
  382   2HB   GLU  52          1HB       GLU  52   9.539  -5.343  -5.908
  383   1HG   GLU  52          2HG       GLU  52   9.708  -7.820  -6.818
  384   2HG   GLU  52          1HG       GLU  52   9.013  -7.177  -8.298
  385    H    LYS  53           H        LYS  53   8.998  -6.125  -3.831
  386    HA   LYS  53           HA       LYS  53   9.663  -8.751  -3.198
  387   1HB   LYS  53          2HB       LYS  53  10.567  -6.480  -2.215
  388   2HB   LYS  53          1HB       LYS  53   9.144  -6.471  -1.226
  389   1HG   LYS  53          2HG       LYS  53  11.179  -7.432  -0.007
  390   2HG   LYS  53          1HG       LYS  53   9.750  -8.433   0.002
  391   1HD   LYS  53          2HD       LYS  53  11.854  -9.726  -0.541
  392   2HD   LYS  53          1HD       LYS  53  10.585  -9.904  -1.725
  393   1HE   LYS  53          2HE       LYS  53  11.810  -7.962  -3.033
  394   2HE   LYS  53          1HE       LYS  53  13.131  -8.222  -1.902
  395   1HZ   LYS  53          2HZ       LYS  53  12.202 -10.737  -2.825
  396   2HZ   LYS  53          1HZ       LYS  53  12.431  -9.758  -4.182
  397   3HZ   LYS  53          3HZ       LYS  53  13.727 -10.054  -3.123
  398    H    VAL  54           H        VAL  54   6.657  -7.233  -2.611
  399    HA   VAL  54           HA       VAL  54   5.721  -9.370  -0.802
  400    HB   VAL  54           HB       VAL  54   4.629  -6.695  -1.807
  401   1HG1  VAL  54          3HG1      VAL  54   3.414  -8.643   0.247
  402   2HG1  VAL  54          2HG1      VAL  54   2.793  -7.041  -0.117
  403   3HG1  VAL  54          1HG1      VAL  54   2.727  -8.302  -1.332
  404   1HG2  VAL  54          3HG2      VAL  54   5.585  -7.617   0.943
  405   2HG2  VAL  54          2HG2      VAL  54   6.445  -6.550  -0.151
  406   3HG2  VAL  54          1HG2      VAL  54   4.942  -6.025   0.563
  407    H    CYS  55           H        CYS  55   4.736  -8.002  -3.919
  408    HA   CYS  55           HA       CYS  55   3.437 -10.670  -4.533
  409   1HB   CYS  55          2HB       CYS  55   2.405  -7.900  -4.995
  410   2HB   CYS  55          1HB       CYS  55   1.719  -9.282  -5.804
  411    H    ALA  56           H        ALA  56   5.841  -9.045  -5.682
  412    HA   ALA  56           HA       ALA  56   6.620  -8.482  -8.008
  413   1HB   ALA  56          2HB       ALA  56   7.015 -11.220  -7.000
  414   2HB   ALA  56          1HB       ALA  56   8.054 -10.509  -8.230
  415   3HB   ALA  56          3HB       ALA  56   7.962  -9.779  -6.632
  416    HA   PRO  57           HA       PRO  57   5.406 -10.495 -11.936
  417   1HB   PRO  57          2HB       PRO  57   7.896 -11.403 -12.812
  418   2HB   PRO  57          1HB       PRO  57   7.317  -9.749 -13.010
  419   1HG   PRO  57          2HG       PRO  57   8.963 -10.865 -10.656
  420   2HG   PRO  57          1HG       PRO  57   9.398  -9.499 -11.692
  421   1HD   PRO  57          2HD       PRO  57   8.205  -8.898  -9.426
  422   2HD   PRO  57          1HD       PRO  57   7.480  -8.196 -10.883
  423    H    VAL  58           HN       VAL  58   4.544 -11.999  -9.975
  424    HA   VAL  58           HA       VAL  58   5.181 -14.808 -10.760
  425    HB   VAL  58           HB       VAL  58   4.481 -13.798  -7.968
  426   1HG1  VAL  58          2HG1      VAL  58   5.398 -16.534  -8.981
  427   2HG1  VAL  58          1HG1      VAL  58   5.086 -16.145  -7.292
  428   3HG1  VAL  58          3HG1      VAL  58   3.775 -16.122  -8.464
  429   1HG2  VAL  58          2HG2      VAL  58   7.164 -14.790  -9.068
  430   2HG2  VAL  58          1HG2      VAL  58   6.807 -13.133  -8.614
  431   3HG2  VAL  58          3HG2      VAL  58   6.860 -14.381  -7.381
   
  No H/Q in entry =         431
  Start of MODEL    7
    1   1H    GLU   1          3H        GLU   1  -6.954 -16.103  -2.211
    2   2H    GLU   1          2H        GLU   1  -8.326 -16.870  -2.915
    3   3H    GLU   1          1H        GLU   1  -7.748 -15.424  -3.497
    4    HA   GLU   1           HA       GLU   1  -9.118 -14.283  -2.223
    5   1HB   GLU   1          2HB       GLU   1  -9.889 -17.023  -1.095
    6   2HB   GLU   1          1HB       GLU   1 -10.893 -15.584  -1.129
    7   1HG   GLU   1          2HG       GLU   1 -10.324 -17.450  -3.457
    8   2HG   GLU   1          1HG       GLU   1 -11.645 -16.341  -3.236
    9    H    THR   2           H        THR   2  -7.648 -13.288  -1.417
   10    HA   THR   2           HA       THR   2  -7.156 -11.937   0.669
   11    HB   THR   2           HB       THR   2  -6.055 -14.672   1.684
   12    HG1  THR   2           HG1      THR   2  -8.110 -14.648   2.231
   13   1HG2  THR   2          3HG2      THR   2  -6.513 -11.989   3.097
   14   2HG2  THR   2          2HG2      THR   2  -5.759 -13.418   3.771
   15   3HG2  THR   2          1HG2      THR   2  -4.904 -12.471   2.565
   16    H    ASP   3           H        ASP   3  -6.481 -12.092  -1.705
   17    HA   ASP   3           HA       ASP   3  -3.575 -12.391  -2.115
   18   1HB   ASP   3          2HB       ASP   3  -5.426 -12.055  -4.468
   19   2HB   ASP   3          1HB       ASP   3  -4.190 -13.259  -4.200
   20    H    ILE   4           H        ILE   4  -3.442 -10.375  -0.939
   21    HA   ILE   4           HA       ILE   4  -4.498  -7.872  -1.388
   22    HB   ILE   4           HB       ILE   4  -2.872  -8.165   0.332
   23   1HG1  ILE   4          2HG1      ILE   4  -1.650  -6.215  -1.663
   24   2HG1  ILE   4          1HG1      ILE   4  -3.082  -5.865  -0.717
   25   1HG2  ILE   4          1HG2      ILE   4  -1.321  -9.835  -0.800
   26   2HG2  ILE   4          3HG2      ILE   4  -0.719  -8.556  -1.839
   27   3HG2  ILE   4          2HG2      ILE   4  -0.420  -8.513  -0.121
   28   1HD1  ILE   4          2HD1      ILE   4  -1.735  -6.217   1.396
   29   2HD1  ILE   4          1HD1      ILE   4  -0.306  -6.513   0.420
   30   3HD1  ILE   4          3HD1      ILE   4  -1.059  -4.939   0.404
   31    H    CYS   5           H        CYS   5  -2.360  -9.449  -3.420
   32    HA   CYS   5           HA       CYS   5  -1.567  -7.345  -5.232
   33   1HB   CYS   5          2HB       CYS   5  -1.670 -10.334  -5.586
   34   2HB   CYS   5          1HB       CYS   5  -0.580  -9.239  -6.420
   35    H    LYS   6           H        LYS   6  -4.528  -8.764  -4.922
   36    HA   LYS   6           HA       LYS   6  -5.474  -8.282  -7.677
   37   1HB   LYS   6          2HB       LYS   6  -6.040 -10.474  -7.227
   38   2HB   LYS   6          1HB       LYS   6  -5.811 -10.311  -5.512
   39   1HG   LYS   6          2HG       LYS   6  -7.958  -9.084  -5.371
   40   2HG   LYS   6          1HG       LYS   6  -8.292  -9.467  -7.043
   41   1HD   LYS   6          2HD       LYS   6  -7.791 -11.375  -4.654
   42   2HD   LYS   6          1HD       LYS   6  -9.353 -11.137  -5.387
   43   1HE   LYS   6          2HE       LYS   6  -8.708 -12.409  -7.371
   44   2HE   LYS   6          1HE       LYS   6  -7.026 -12.481  -6.846
   45   1HZ   LYS   6          1HZ       LYS   6  -8.653 -13.295  -4.694
   46   2HZ   LYS   6          3HZ       LYS   6  -9.182 -14.195  -5.928
   47   3HZ   LYS   6          2HZ       LYS   6  -7.575 -14.234  -5.477
   48    H    LEU   7           H        LEU   7  -5.112  -6.600  -4.924
   49    HA   LEU   7           HA       LEU   7  -7.741  -5.415  -4.931
   50   1HB   LEU   7          2HB       LEU   7  -5.439  -4.990  -3.001
   51   2HB   LEU   7          1HB       LEU   7  -7.080  -4.450  -2.755
   52    HG   LEU   7           HG       LEU   7  -6.201  -7.368  -2.893
   53   1HD1  LEU   7          1HD1      LEU   7  -5.597  -6.103  -0.800
   54   2HD1  LEU   7          3HD1      LEU   7  -7.262  -5.612  -0.624
   55   3HD1  LEU   7          2HD1      LEU   7  -6.838  -7.307  -0.479
   56   1HD2  LEU   7          3HD2      LEU   7  -8.931  -6.116  -2.306
   57   2HD2  LEU   7          2HD2      LEU   7  -8.530  -7.005  -3.768
   58   3HD2  LEU   7          1HD2      LEU   7  -8.557  -7.828  -2.226
   59    HA   PRO   8           HA       PRO   8  -6.494  -2.326  -7.676
   60   1HB   PRO   8          2HB       PRO   8  -8.464  -0.421  -7.200
   61   2HB   PRO   8          1HB       PRO   8  -8.775  -1.983  -7.976
   62   1HG   PRO   8          2HG       PRO   8  -8.926  -1.256  -5.004
   63   2HG   PRO   8          1HG       PRO   8 -10.231  -1.885  -5.994
   64   1HD   PRO   8          2HD       PRO   8  -8.795  -3.562  -4.519
   65   2HD   PRO   8          1HD       PRO   8  -9.090  -4.046  -6.210
   66    H    LYS   9           H        LYS   9  -6.681   0.056  -7.895
   67    HA   LYS   9           HA       LYS   9  -4.421   1.326  -6.389
   68   1HB   LYS   9          2HB       LYS   9  -4.251   1.229  -8.902
   69   2HB   LYS   9          1HB       LYS   9  -5.822   1.981  -9.056
   70   1HG   LYS   9          2HG       LYS   9  -4.418   3.827  -7.451
   71   2HG   LYS   9          1HG       LYS   9  -3.158   3.157  -8.452
   72   1HD   LYS   9          2HD       LYS   9  -3.820   4.432 -10.251
   73   2HD   LYS   9          1HD       LYS   9  -5.414   3.723 -10.231
   74   1HE   LYS   9          2HE       LYS   9  -4.555   6.069  -8.465
   75   2HE   LYS   9          1HE       LYS   9  -5.500   6.217  -9.938
   76   1HZ   LYS   9          3HZ       LYS   9  -6.751   4.220  -8.359
   77   2HZ   LYS   9          2HZ       LYS   9  -6.335   5.416  -7.337
   78   3HZ   LYS   9          1HZ       LYS   9  -7.325   5.814  -8.506
   79    H    ASP  10           H        ASP  10  -5.726   1.906  -4.480
   80    HA   ASP  10           HA       ASP  10  -7.929   3.822  -5.067
   81   1HB   ASP  10          2HB       ASP  10  -7.491   2.306  -2.590
   82   2HB   ASP  10          1HB       ASP  10  -9.016   3.019  -3.107
   83    H    GLU  11           H        GLU  11  -8.021   5.913  -4.287
   84    HA   GLU  11           HA       GLU  11  -6.133   6.758  -2.137
   85   1HB   GLU  11          2HB       GLU  11  -6.519   9.221  -3.443
   86   2HB   GLU  11          1HB       GLU  11  -5.358   8.147  -4.138
   87   1HG   GLU  11          2HG       GLU  11  -8.282   8.215  -5.078
   88   2HG   GLU  11          1HG       GLU  11  -7.006   9.184  -5.752
   89    H    GLY  12           H        GLY  12  -9.014   8.347  -3.487
   90   1HA   GLY  12          2HA       GLY  12 -11.058   8.220  -1.857
   91   2HA   GLY  12          1HA       GLY  12  -9.951   8.894  -0.680
   92    H    THR  13           H        THR  13 -10.417  10.936  -0.319
   93    HA   THR  13           HA       THR  13 -11.328  12.734  -2.561
   94    HB   THR  13           HB       THR  13 -12.542  14.056  -0.698
   95    HG1  THR  13           HG1      THR  13 -12.641  12.241   1.110
   96   1HG2  THR  13          1HG2      THR  13 -13.176  11.047  -0.626
   97   2HG2  THR  13          3HG2      THR  13 -14.290  12.359  -0.262
   98   3HG2  THR  13          2HG2      THR  13 -13.750  12.092  -1.908
   99    H    CYS  14           H        CYS  14  -9.828  12.809   0.528
  100    HA   CYS  14           HA       CYS  14  -8.726  15.048   1.198
  101   1HB   CYS  14          2HB       CYS  14  -7.155  12.538   0.730
  102   2HB   CYS  14          1HB       CYS  14  -6.633  13.832   1.767
  103    H    ARG  15           H        ARG  15  -8.814  16.420  -0.584
  104    HA   ARG  15           HA       ARG  15  -7.694  17.067  -2.830
  105   1HB   ARG  15          2HB       ARG  15  -8.768  18.819  -1.506
  106   2HB   ARG  15          1HB       ARG  15  -7.563  18.647  -0.254
  107   1HG   ARG  15          2HG       ARG  15  -7.132  20.745  -1.411
  108   2HG   ARG  15          1HG       ARG  15  -5.811  19.652  -1.545
  109   1HD   ARG  15          2HD       ARG  15  -5.934  20.502  -3.674
  110   2HD   ARG  15          1HD       ARG  15  -6.764  18.966  -3.863
  111    HE   ARG  15           HE       ARG  15  -8.243  21.590  -3.394
  112   1HH1  ARG  15          2HH1      ARG  15  -9.872  19.547  -3.016
  113   2HH1  ARG  15          1HH1      ARG  15 -10.657  19.203  -4.531
  114   1HH2  ARG  15          1HH2      ARG  15  -7.995  20.881  -6.034
  115   2HH2  ARG  15          2HH2      ARG  15  -9.461  20.043  -6.434
  116    H    ASP  16           H        ASP  16  -5.622  16.961  -0.145
  117    HA   ASP  16           HA       ASP  16  -3.159  17.470  -1.701
  118   1HB   ASP  16          2HB       ASP  16  -3.668  17.250   1.310
  119   2HB   ASP  16          1HB       ASP  16  -2.319  18.056   0.525
  120    H    PHE  17           H        PHE  17  -3.878  15.314  -2.605
  121    HA   PHE  17           HA       PHE  17  -3.452  12.770  -1.521
  122   1HB   PHE  17          2HB       PHE  17  -2.916  13.712  -4.357
  123   2HB   PHE  17          1HB       PHE  17  -3.043  12.029  -3.895
  124    HD1  PHE  17           HD1      PHE  17  -4.932  15.196  -4.117
  125    HD2  PHE  17           HD2      PHE  17  -5.166  11.007  -3.477
  126    HE1  PHE  17           HE1      PHE  17  -7.371  15.304  -4.310
  127    HE2  PHE  17           HE2      PHE  17  -7.617  11.113  -3.680
  128    HZ   PHE  17           HZ       PHE  17  -8.717  13.262  -4.091
  129    H    ILE  18           H        ILE  18  -1.758  11.186  -1.641
  130    HA   ILE  18           HA       ILE  18   1.045  12.290  -1.775
  131    HB   ILE  18           HB       ILE  18   1.677  11.162   0.224
  132   1HG1  ILE  18          2HG1      ILE  18   0.022   9.310   1.238
  133   2HG1  ILE  18          1HG1      ILE  18  -0.436   9.114  -0.433
  134   1HG2  ILE  18          1HG2      ILE  18  -0.004  12.807   0.921
  135   2HG2  ILE  18          3HG2      ILE  18  -1.270  11.620   0.778
  136   3HG2  ILE  18          2HG2      ILE  18  -0.032  11.409   1.978
  137   1HD1  ILE  18          2HD1      ILE  18   2.434   9.004   0.637
  138   2HD1  ILE  18          1HD1      ILE  18   1.492   7.612   0.182
  139   3HD1  ILE  18          3HD1      ILE  18   2.014   8.743  -1.041
  140    H    LEU  19           H        LEU  19   2.613  10.773  -2.637
  141    HA   LEU  19           HA       LEU  19   1.350   8.863  -4.522
  142   1HB   LEU  19          2HB       LEU  19   4.049  10.204  -4.419
  143   2HB   LEU  19          1HB       LEU  19   3.856   8.834  -5.465
  144    HG   LEU  19           HG       LEU  19   2.243  11.482  -5.702
  145   1HD1  LEU  19          1HD1      LEU  19   4.577  11.652  -6.515
  146   2HD1  LEU  19          3HD1      LEU  19   4.296  10.283  -7.587
  147   3HD1  LEU  19          2HD1      LEU  19   3.391  11.760  -7.791
  148   1HD2  LEU  19          2HD2      LEU  19   2.203   9.048  -7.556
  149   2HD2  LEU  19          1HD2      LEU  19   0.900   9.488  -6.474
  150   3HD2  LEU  19          3HD2      LEU  19   1.345  10.556  -7.768
  151    H    LYS  20           H        LYS  20   1.438   6.745  -4.440
  152    HA   LYS  20           HA       LYS  20   3.580   5.279  -2.890
  153   1HB   LYS  20          2HB       LYS  20   0.585   5.156  -2.653
  154   2HB   LYS  20          1HB       LYS  20   1.369   3.618  -2.603
  155   1HG   LYS  20          2HG       LYS  20   2.175   5.882  -0.706
  156   2HG   LYS  20          1HG       LYS  20   0.861   4.781  -0.320
  157   1HD   LYS  20          2HD       LYS  20   2.627   2.908  -0.885
  158   2HD   LYS  20          1HD       LYS  20   3.825   4.173  -0.644
  159   1HE   LYS  20          2HE       LYS  20   3.047   4.422   1.715
  160   2HE   LYS  20          1HE       LYS  20   1.840   3.169   1.442
  161   1HZ   LYS  20          1HZ       LYS  20   4.415   2.193   0.592
  162   2HZ   LYS  20          3HZ       LYS  20   4.561   2.679   2.167
  163   3HZ   LYS  20          2HZ       LYS  20   3.397   1.545   1.692
  164    H    TRP  21           H        TRP  21   3.291   2.784  -3.671
  165    HA   TRP  21           HA       TRP  21   2.944   2.622  -6.622
  166   1HB   TRP  21          2HB       TRP  21   4.934   1.154  -4.790
  167   2HB   TRP  21          1HB       TRP  21   4.671   0.722  -6.466
  168    HD1  TRP  21           HD1      TRP  21   6.081   3.540  -4.281
  169    HE1  TRP  21           HE1      TRP  21   7.654   4.873  -5.864
  170    HE3  TRP  21           HE3      TRP  21   5.209   1.202  -8.600
  171    HZ2  TRP  21           HZ2      TRP  21   8.490   4.899  -8.603
  172    HZ3  TRP  21           HZ3      TRP  21   6.371   1.813 -10.691
  173    HH2  TRP  21           HH2      TRP  21   8.010   3.663 -10.698
  174    H    TYR  22           H        TYR  22   1.594   0.899  -7.198
  175    HA   TYR  22           HA       TYR  22   0.695  -0.938  -4.960
  176   1HB   TYR  22          2HB       TYR  22  -1.571  -0.560  -5.515
  177   2HB   TYR  22          1HB       TYR  22  -0.921   1.030  -5.736
  178    HD1  TYR  22           HD2      TYR  22  -0.498   1.902  -8.140
  179    HD2  TYR  22           HD1      TYR  22  -2.387  -1.807  -7.313
  180    HE1  TYR  22           HE2      TYR  22  -1.406   1.785 -10.468
  181    HE2  TYR  22           HE1      TYR  22  -3.258  -1.889  -9.623
  182    HH   TYR  22           HH       TYR  22  -2.250  -0.493 -12.028
  183    H    TYR  23           H        TYR  23   0.185  -3.014  -5.797
  184    HA   TYR  23           HA       TYR  23   1.709  -3.864  -8.149
  185   1HB   TYR  23          2HB       TYR  23   1.479  -5.221  -6.021
  186   2HB   TYR  23          1HB       TYR  23  -0.230  -5.423  -6.369
  187    HD1  TYR  23           HD1      TYR  23   3.120  -6.008  -7.916
  188    HD2  TYR  23           HD2      TYR  23  -0.978  -7.068  -7.831
  189    HE1  TYR  23           HE1      TYR  23   3.549  -7.855  -9.501
  190    HE2  TYR  23           HE2      TYR  23  -0.533  -8.914  -9.425
  191    HH   TYR  23           HH       TYR  23   2.699  -9.454 -10.684
  192    H    ASP  24           H        ASP  24   0.880  -3.959 -10.117
  193    HA   ASP  24           HA       ASP  24  -2.025  -3.519 -10.596
  194   1HB   ASP  24          2HB       ASP  24  -0.468  -1.835 -11.209
  195   2HB   ASP  24          1HB       ASP  24   0.379  -2.903 -12.274
  196    HA   PRO  25           HA       PRO  25  -1.847  -8.043 -11.938
  197   1HB   PRO  25          2HB       PRO  25  -4.696  -7.745 -12.319
  198   2HB   PRO  25          1HB       PRO  25  -3.869  -8.551 -10.988
  199   1HG   PRO  25          2HG       PRO  25  -4.744  -5.621 -11.159
  200   2HG   PRO  25          1HG       PRO  25  -4.913  -6.735  -9.792
  201   1HD   PRO  25          2HD       PRO  25  -2.955  -4.999  -9.679
  202   2HD   PRO  25          1HD       PRO  25  -2.503  -6.685  -9.367
  203    H    ASN  26           H        ASN  26  -3.110  -5.188 -13.611
  204    HA   ASN  26           HA       ASN  26  -3.575  -6.432 -16.180
  205   1HB   ASN  26          2HB       ASN  26  -2.810  -3.519 -15.517
  206   2HB   ASN  26          1HB       ASN  26  -3.506  -4.074 -17.026
  207   1HD2  ASN  26          2HD2      ASN  26  -5.934  -3.355 -14.019
  208   2HD2  ASN  26          1HD2      ASN  26  -4.256  -3.031 -13.896
  209    H    THR  27           H        THR  27  -0.841  -5.030 -14.640
  210    HA   THR  27           HA       THR  27   0.994  -5.579 -16.959
  211    HB   THR  27           HB       THR  27   2.688  -4.239 -15.717
  212    HG1  THR  27           HG1      THR  27   0.957  -3.860 -13.572
  213   1HG2  THR  27          3HG2      THR  27  -0.056  -3.041 -15.009
  214   2HG2  THR  27          2HG2      THR  27   1.460  -2.183 -15.103
  215   3HG2  THR  27          1HG2      THR  27   0.714  -2.809 -16.559
  216    H    LYS  28           H        LYS  28   0.858  -6.139 -13.588
  217    HA   LYS  28           HA       LYS  28   1.012  -7.899 -12.242
  218   1HB   LYS  28          2HB       LYS  28   2.421  -9.299 -14.671
  219   2HB   LYS  28          1HB       LYS  28   2.313 -10.048 -13.107
  220   1HG   LYS  28          2HG       LYS  28   0.065 -10.306 -13.064
  221   2HG   LYS  28          1HG       LYS  28  -0.262  -8.909 -14.022
  222   1HD   LYS  28          2HD       LYS  28   0.873 -11.565 -15.171
  223   2HD   LYS  28          1HD       LYS  28  -0.823 -11.184 -15.238
  224   1HE   LYS  28          2HE       LYS  28   1.448  -9.716 -16.622
  225   2HE   LYS  28          1HE       LYS  28   0.186 -10.673 -17.372
  226   1HZ   LYS  28          3HZ       LYS  28  -1.085  -8.718 -15.724
  227   2HZ   LYS  28          2HZ       LYS  28   0.084  -7.950 -16.634
  228   3HZ   LYS  28          1HZ       LYS  28  -1.136  -8.765 -17.402
  229    H    SER  29           H        SER  29   2.562  -5.721 -12.669
  230    HA   SER  29           HA       SER  29   4.923  -6.369 -11.022
  231   1HB   SER  29          2HB       SER  29   5.639  -5.864 -13.413
  232   2HB   SER  29          1HB       SER  29   4.777  -4.314 -13.328
  233    HG   SER  29           HG       SER  29   7.254  -4.826 -12.349
  234    H    CYS  30           H        CYS  30   5.406  -3.377 -10.908
  235    HA   CYS  30           HA       CYS  30   2.955  -2.493  -9.396
  236   1HB   CYS  30          2HB       CYS  30   5.839  -2.170  -8.600
  237   2HB   CYS  30          1HB       CYS  30   4.453  -1.652  -7.668
  238    H    ALA  31           H        ALA  31   2.356  -0.393  -9.461
  239    HA   ALA  31           HA       ALA  31   4.009   1.522 -11.030
  240   1HB   ALA  31          2HB       ALA  31   1.030   0.948 -11.414
  241   2HB   ALA  31          1HB       ALA  31   1.926   2.196 -12.266
  242   3HB   ALA  31          3HB       ALA  31   2.304   0.501 -12.533
  243    H    ARG  32           H        ARG  32   3.482   3.624 -10.678
  244    HA   ARG  32           HA       ARG  32   2.855   4.259  -7.928
  245   1HB   ARG  32          2HB       ARG  32   4.771   5.003  -9.321
  246   2HB   ARG  32          1HB       ARG  32   3.634   5.978 -10.199
  247   1HG   ARG  32          2HG       ARG  32   3.332   7.630  -8.746
  248   2HG   ARG  32          1HG       ARG  32   3.272   6.577  -7.355
  249   1HD   ARG  32          2HD       ARG  32   5.904   7.167  -8.725
  250   2HD   ARG  32          1HD       ARG  32   5.238   8.276  -7.518
  251    HE   ARG  32           HE       ARG  32   5.725   5.311  -6.973
  252   1HH1  ARG  32          2HH1      ARG  32   4.043   6.111  -5.235
  253   2HH1  ARG  32          1HH1      ARG  32   4.912   6.741  -3.856
  254   1HH2  ARG  32          1HH2      ARG  32   7.617   7.213  -5.971
  255   2HH2  ARG  32          2HH2      ARG  32   7.104   7.361  -4.313
  256    H    PHE  33           H        PHE  33   1.392   5.514  -7.108
  257    HA   PHE  33           HA       PHE  33  -0.640   6.902  -8.762
  258   1HB   PHE  33          2HB       PHE  33  -2.503   5.569  -8.036
  259   2HB   PHE  33          1HB       PHE  33  -1.252   4.428  -8.466
  260    HD1  PHE  33           HD2      PHE  33   0.223   3.470  -6.489
  261    HD2  PHE  33           HD1      PHE  33  -3.482   5.505  -5.931
  262    HE1  PHE  33           HE2      PHE  33  -0.031   2.461  -4.238
  263    HE2  PHE  33           HE1      PHE  33  -3.714   4.491  -3.711
  264    HZ   PHE  33           HZ       PHE  33  -1.982   2.976  -2.870
  265    H    TRP  34           H        TRP  34  -2.071   8.338  -7.678
  266    HA   TRP  34           HA       TRP  34  -0.815   9.666  -5.405
  267   1HB   TRP  34          2HB       TRP  34  -3.269  10.115  -7.238
  268   2HB   TRP  34          1HB       TRP  34  -3.208  10.980  -5.780
  269    HD1  TRP  34           HD1      TRP  34  -2.597  11.444  -8.987
  270    HE1  TRP  34           HE1      TRP  34  -0.829  13.319  -9.381
  271    HE3  TRP  34           HE3      TRP  34  -0.535  11.699  -4.438
  272    HZ2  TRP  34           HZ2      TRP  34   1.138  14.732  -7.959
  273    HZ3  TRP  34           HZ3      TRP  34   1.240  13.321  -3.917
  274    HH2  TRP  34           HH2      TRP  34   2.094  14.836  -5.668
  275    H    TYR  35           H        TYR  35  -1.466   7.334  -4.315
  276    HA   TYR  35           HA       TYR  35  -3.538   6.588  -2.908
  277   1HB   TYR  35          2HB       TYR  35  -1.348   5.677  -2.594
  278   2HB   TYR  35          1HB       TYR  35  -0.738   7.143  -1.842
  279    HD1  TYR  35           HD2      TYR  35  -3.899   5.200  -1.311
  280    HD2  TYR  35           HD1      TYR  35  -0.268   6.591   0.393
  281    HE1  TYR  35           HE2      TYR  35  -4.578   4.337   0.855
  282    HE2  TYR  35           HE1      TYR  35  -0.956   5.704   2.580
  283    HH   TYR  35           HH       TYR  35  -4.047   4.974   3.255
  284    H    GLY  36           H        GLY  36  -1.881   9.392  -1.627
  285   1HA   GLY  36          2HA       GLY  36  -2.939  11.232  -0.278
  286   2HA   GLY  36          1HA       GLY  36  -4.454  10.395  -0.476
  287    H    GLY  37           H        GLY  37  -4.079   8.086   0.658
  288   1HA   GLY  37          2HA       GLY  37  -3.059   7.152   2.884
  289   2HA   GLY  37          1HA       GLY  37  -3.507   8.703   3.563
  290    H    CYS  38           H        CYS  38  -5.602   9.335   3.136
  291    HA   CYS  38           HA       CYS  38  -7.563   8.596   4.591
  292   1HB   CYS  38          2HB       CYS  38  -7.791   9.462   1.711
  293   2HB   CYS  38          1HB       CYS  38  -9.040   9.683   2.924
  294    H    GLY  39           H        GLY  39  -8.262   7.151   1.320
  295   1HA   GLY  39          2HA       GLY  39  -9.440   4.851   2.858
  296   2HA   GLY  39          1HA       GLY  39 -10.454   5.717   1.750
  297    H    GLY  40           H        GLY  40  -7.259   4.186   1.519
  298   1HA   GLY  40          2HA       GLY  40  -8.353   2.710  -0.882
  299   2HA   GLY  40          1HA       GLY  40  -6.690   3.282  -0.846
  300    H    ASN  41           H        ASN  41  -7.688   0.528  -1.315
  301    HA   ASN  41           HA       ASN  41  -7.399  -1.088   1.031
  302   1HB   ASN  41          2HB       ASN  41  -7.551  -2.885  -0.498
  303   2HB   ASN  41          1HB       ASN  41  -8.244  -1.577  -1.445
  304   1HD2  ASN  41          2HD2      ASN  41  -5.762  -1.863  -3.871
  305   2HD2  ASN  41          1HD2      ASN  41  -7.245  -1.167  -3.431
  306    H    GLU  42           H        GLU  42  -5.778  -2.786   1.302
  307    HA   GLU  42           HA       GLU  42  -3.345  -1.980   2.364
  308   1HB   GLU  42          2HB       GLU  42  -4.566  -4.583   1.551
  309   2HB   GLU  42          1HB       GLU  42  -2.982  -4.499   2.316
  310   1HG   GLU  42          2HG       GLU  42  -5.133  -4.587   3.928
  311   2HG   GLU  42          1HG       GLU  42  -3.864  -3.465   4.343
  312    H    ASN  43           H        ASN  43  -3.683  -2.732  -0.978
  313    HA   ASN  43           HA       ASN  43  -0.876  -3.305  -1.530
  314   1HB   ASN  43          2HB       ASN  43  -2.779  -4.215  -2.696
  315   2HB   ASN  43          1HB       ASN  43  -3.337  -2.637  -3.227
  316   1HD2  ASN  43          2HD2      ASN  43  -1.706  -3.508  -6.208
  317   2HD2  ASN  43          1HD2      ASN  43  -3.205  -3.401  -5.416
  318    H    LYS  44           H        LYS  44  -0.413  -1.438  -0.224
  319    HA   LYS  44           HA       LYS  44   0.083   1.014  -1.865
  320   1HB   LYS  44          2HB       LYS  44   0.054   1.235   1.171
  321   2HB   LYS  44          1HB       LYS  44  -0.359   2.466   0.000
  322   1HG   LYS  44          2HG       LYS  44  -2.619   1.747  -0.154
  323   2HG   LYS  44          1HG       LYS  44  -2.228   0.130   0.417
  324   1HD   LYS  44          2HD       LYS  44  -1.594   0.984   2.652
  325   2HD   LYS  44          1HD       LYS  44  -1.702   2.638   2.116
  326   1HE   LYS  44          2HE       LYS  44  -3.516   2.113   3.670
  327   2HE   LYS  44          1HE       LYS  44  -4.157   2.499   2.081
  328   1HZ   LYS  44          2HZ       LYS  44  -3.712  -0.210   1.993
  329   2HZ   LYS  44          1HZ       LYS  44  -4.469  -0.001   3.487
  330   3HZ   LYS  44          3HZ       LYS  44  -5.160   0.574   2.099
  331    H    PHE  45           H        PHE  45   2.307   0.413  -2.476
  332    HA   PHE  45           HA       PHE  45   4.293   0.247  -0.263
  333   1HB   PHE  45          2HB       PHE  45   4.650  -0.338  -3.211
  334   2HB   PHE  45          1HB       PHE  45   5.771  -0.687  -1.896
  335    HD1  PHE  45           HD2      PHE  45   5.146  -2.334  -0.162
  336    HD2  PHE  45           HD1      PHE  45   2.627  -1.681  -3.522
  337    HE1  PHE  45           HE2      PHE  45   3.954  -4.422   0.328
  338    HE2  PHE  45           HE1      PHE  45   1.444  -3.771  -3.034
  339    HZ   PHE  45           HZ       PHE  45   2.088  -5.138  -1.126
  340    H    GLY  46           H        GLY  46   6.164   1.582  -0.148
  341   1HA   GLY  46          2HA       GLY  46   5.960   4.365  -1.052
  342   2HA   GLY  46          1HA       GLY  46   7.310   3.644  -0.172
  343    H    SER  47           H        SER  47   7.769   1.593  -1.981
  344    HA   SER  47           HA       SER  47   8.681   2.984  -4.456
  345   1HB   SER  47          2HB       SER  47  10.377   1.032  -2.956
  346   2HB   SER  47          1HB       SER  47  10.879   1.992  -4.368
  347    HG   SER  47           HG       SER  47   9.925   3.591  -2.375
  348    H    GLN  48           H        GLN  48   8.882   1.736  -6.401
  349    HA   GLN  48           HA       GLN  48   7.222  -0.450  -6.826
  350   1HB   GLN  48          2HB       GLN  48   8.416   0.653  -8.694
  351   2HB   GLN  48          1HB       GLN  48   9.976   0.178  -8.065
  352   1HG   GLN  48          2HG       GLN  48   8.946  -2.356  -8.400
  353   2HG   GLN  48          1HG       GLN  48   7.916  -1.501  -9.529
  354   1HE2  GLN  48          2HE2      GLN  48  11.506  -2.435 -10.712
  355   2HE2  GLN  48          1HE2      GLN  48  10.808  -3.137  -9.326
  356    H    LYS  49           H        LYS  49  10.565  -0.599  -6.103
  357    HA   LYS  49           HA       LYS  49  10.882  -3.329  -5.733
  358   1HB   LYS  49          2HB       LYS  49  13.057  -2.615  -4.438
  359   2HB   LYS  49          1HB       LYS  49  12.841  -1.703  -5.914
  360   1HG   LYS  49          2HG       LYS  49  12.022   0.235  -4.772
  361   2HG   LYS  49          1HG       LYS  49  11.545  -0.677  -3.341
  362   1HD   LYS  49          2HD       LYS  49  13.944  -0.946  -2.690
  363   2HD   LYS  49          1HD       LYS  49  14.456  -0.182  -4.169
  364   1HE   LYS  49          2HE       LYS  49  14.640   1.402  -2.290
  365   2HE   LYS  49          1HE       LYS  49  13.472   1.984  -3.458
  366   1HZ   LYS  49          2HZ       LYS  49  12.095   0.327  -1.567
  367   2HZ   LYS  49          1HZ       LYS  49  12.989   1.462  -0.714
  368   3HZ   LYS  49          3HZ       LYS  49  11.893   1.973  -1.873
  369    H    GLU  50           H        GLU  50   9.044  -1.701  -3.688
  370    HA   GLU  50           HA       GLU  50   9.574  -3.261  -1.340
  371   1HB   GLU  50          2HB       GLU  50   9.363  -0.856  -1.383
  372   2HB   GLU  50          1HB       GLU  50   7.751  -1.006  -2.055
  373   1HG   GLU  50          2HG       GLU  50   7.114  -2.129   0.214
  374   2HG   GLU  50          1HG       GLU  50   8.673  -1.605   0.793
  375    H    CYS  51           H        CYS  51   7.130  -2.247  -3.483
  376    HA   CYS  51           HA       CYS  51   5.044  -4.128  -3.082
  377   1HB   CYS  51          2HB       CYS  51   4.791  -2.030  -4.335
  378   2HB   CYS  51          1HB       CYS  51   5.899  -2.592  -5.541
  379    H    GLU  52           H        GLU  52   7.634  -4.307  -5.584
  380    HA   GLU  52           HA       GLU  52   6.685  -6.847  -6.629
  381   1HB   GLU  52          2HB       GLU  52   8.692  -6.702  -7.913
  382   2HB   GLU  52          1HB       GLU  52   8.536  -5.032  -7.402
  383   1HG   GLU  52          2HG       GLU  52  10.071  -5.686  -5.392
  384   2HG   GLU  52          1HG       GLU  52  10.392  -7.155  -6.333
  385    H    LYS  53           H        LYS  53   8.903  -6.135  -4.148
  386    HA   LYS  53           HA       LYS  53   9.495  -8.909  -3.558
  387   1HB   LYS  53          2HB       LYS  53  10.143  -6.237  -2.403
  388   2HB   LYS  53          1HB       LYS  53   9.784  -7.334  -1.120
  389   1HG   LYS  53          2HG       LYS  53  11.682  -8.542  -1.346
  390   2HG   LYS  53          1HG       LYS  53  11.519  -8.731  -3.070
  391   1HD   LYS  53          2HD       LYS  53  12.544  -6.200  -1.664
  392   2HD   LYS  53          1HD       LYS  53  13.611  -7.390  -2.379
  393   1HE   LYS  53          2HE       LYS  53  11.461  -5.874  -3.913
  394   2HE   LYS  53          1HE       LYS  53  13.124  -5.337  -3.846
  395   1HZ   LYS  53          1HZ       LYS  53  13.048  -8.115  -4.607
  396   2HZ   LYS  53          3HZ       LYS  53  11.960  -7.163  -5.533
  397   3HZ   LYS  53          2HZ       LYS  53  13.478  -6.716  -5.545
  398    H    VAL  54           H        VAL  54   6.609  -7.411  -3.097
  399    HA   VAL  54           HA       VAL  54   5.757  -9.260  -0.927
  400    HB   VAL  54           HB       VAL  54   4.843  -6.574  -1.972
  401   1HG1  VAL  54          3HG1      VAL  54   3.625  -8.310   0.276
  402   2HG1  VAL  54          2HG1      VAL  54   3.116  -6.670  -0.079
  403   3HG1  VAL  54          1HG1      VAL  54   2.829  -7.947  -1.247
  404   1HG2  VAL  54          1HG2      VAL  54   5.922  -7.497   0.745
  405   2HG2  VAL  54          3HG2      VAL  54   6.796  -6.561  -0.448
  406   3HG2  VAL  54          2HG2      VAL  54   5.441  -5.849   0.386
  407    H    CYS  55           H        CYS  55   4.841  -8.009  -4.083
  408    HA   CYS  55           HA       CYS  55   2.900 -10.283  -4.419
  409   1HB   CYS  55          2HB       CYS  55   3.052  -7.536  -5.654
  410   2HB   CYS  55          1HB       CYS  55   2.012  -8.784  -6.299
  411    H    ALA  56           H        ALA  56   5.963  -9.465  -5.661
  412    HA   ALA  56           HA       ALA  56   5.498 -10.959  -8.200
  413   1HB   ALA  56          2HB       ALA  56   6.757  -8.746  -8.180
  414   2HB   ALA  56          1HB       ALA  56   7.957  -9.486  -7.133
  415   3HB   ALA  56          3HB       ALA  56   7.789 -10.048  -8.768
  416    HA   PRO  57           HA       PRO  57   7.996 -14.313  -6.449
  417   1HB   PRO  57          2HB       PRO  57   8.495 -15.828  -8.556
  418   2HB   PRO  57          1HB       PRO  57   6.818 -15.384  -8.194
  419   1HG   PRO  57          2HG       PRO  57   8.713 -14.136 -10.254
  420   2HG   PRO  57          1HG       PRO  57   7.000 -14.511 -10.465
  421   1HD   PRO  57          2HD       PRO  57   8.120 -11.966  -9.653
  422   2HD   PRO  57          1HD       PRO  57   6.386 -12.389  -9.616
  423    H    VAL  58           HN       VAL  58  10.036 -15.431  -6.377
  424    HA   VAL  58           HA       VAL  58  12.426 -14.158  -7.454
  425    HB   VAL  58           HB       VAL  58  13.395 -14.255  -4.997
  426   1HG1  VAL  58          3HG1      VAL  58  12.679 -12.073  -6.050
  427   2HG1  VAL  58          2HG1      VAL  58  11.045 -12.332  -5.464
  428   3HG1  VAL  58          1HG1      VAL  58  12.353 -12.069  -4.314
  429   1HG2  VAL  58          3HG2      VAL  58  11.609 -15.680  -4.089
  430   2HG2  VAL  58          2HG2      VAL  58  11.736 -14.197  -3.148
  431   3HG2  VAL  58          1HG2      VAL  58  10.426 -14.400  -4.307
   
  No H/Q in entry =         431
  Start of MODEL    8
    1   1H    GLU   1          3H        GLU   1  -6.651 -17.854  -4.624
    2   2H    GLU   1          2H        GLU   1  -5.958 -19.330  -4.156
    3   3H    GLU   1          1H        GLU   1  -7.190 -18.718  -3.239
    4    HA   GLU   1           HA       GLU   1  -5.783 -17.582  -1.955
    5   1HB   GLU   1          2HB       GLU   1  -3.801 -19.144  -3.721
    6   2HB   GLU   1          1HB       GLU   1  -3.332 -18.305  -2.255
    7   1HG   GLU   1          2HG       GLU   1  -4.070 -20.876  -1.994
    8   2HG   GLU   1          1HG       GLU   1  -4.750 -19.761  -0.830
    9    H    THR   2           H        THR   2  -6.679 -15.634  -3.043
   10    HA   THR   2           HA       THR   2  -4.469 -13.909  -4.077
   11    HB   THR   2           HB       THR   2  -5.963 -12.903  -5.834
   12    HG1  THR   2           HG1      THR   2  -7.780 -14.003  -4.459
   13   1HG2  THR   2          2HG2      THR   2  -4.537 -14.916  -6.391
   14   2HG2  THR   2          1HG2      THR   2  -5.915 -15.934  -5.991
   15   3HG2  THR   2          3HG2      THR   2  -6.021 -14.807  -7.334
   16    H    ASP   3           H        ASP   3  -4.466 -12.867  -2.131
   17    HA   ASP   3           HA       ASP   3  -6.865 -11.360  -1.213
   18   1HB   ASP   3          2HB       ASP   3  -5.211 -11.265   0.871
   19   2HB   ASP   3          1HB       ASP   3  -5.903 -12.819   0.450
   20    H    ILE   4           H        ILE   4  -4.028  -9.980  -0.185
   21    HA   ILE   4           HA       ILE   4  -4.634  -7.400  -1.033
   22    HB   ILE   4           HB       ILE   4  -2.963  -7.693   0.646
   23   1HG1  ILE   4          2HG1      ILE   4  -1.709  -6.349  -1.804
   24   2HG1  ILE   4          1HG1      ILE   4  -2.857  -5.616  -0.705
   25   1HG2  ILE   4          2HG2      ILE   4  -1.786  -9.760  -0.151
   26   2HG2  ILE   4          1HG2      ILE   4  -1.046  -8.867  -1.466
   27   3HG2  ILE   4          3HG2      ILE   4  -0.632  -8.522   0.198
   28   1HD1  ILE   4          2HD1      ILE   4  -1.190  -5.899   1.173
   29   2HD1  ILE   4          1HD1      ILE   4  -0.038  -6.569   0.037
   30   3HD1  ILE   4          3HD1      ILE   4  -0.549  -4.899  -0.119
   31    H    CYS   5           H        CYS   5  -2.916  -9.739  -2.750
   32    HA   CYS   5           HA       CYS   5  -1.904  -8.167  -4.966
   33   1HB   CYS   5          2HB       CYS   5  -2.575 -11.100  -4.722
   34   2HB   CYS   5          1HB       CYS   5  -1.683 -10.419  -6.062
   35    H    LYS   6           H        LYS   6  -5.060  -8.926  -4.237
   36    HA   LYS   6           HA       LYS   6  -6.038  -8.580  -7.013
   37   1HB   LYS   6          2HB       LYS   6  -6.882 -10.648  -6.383
   38   2HB   LYS   6          1HB       LYS   6  -6.637 -10.361  -4.675
   39   1HG   LYS   6          2HG       LYS   6  -8.550  -8.975  -4.501
   40   2HG   LYS   6          1HG       LYS   6  -8.913  -9.080  -6.205
   41   1HD   LYS   6          2HD       LYS   6  -8.961 -11.321  -4.082
   42   2HD   LYS   6          1HD       LYS   6 -10.375 -10.653  -4.827
   43   1HE   LYS   6          2HE       LYS   6  -8.241 -12.284  -6.260
   44   2HE   LYS   6          1HE       LYS   6  -9.825 -12.876  -5.785
   45   1HZ   LYS   6          2HZ       LYS   6 -10.120 -10.393  -7.089
   46   2HZ   LYS   6          1HZ       LYS   6  -9.145 -11.354  -8.078
   47   3HZ   LYS   6          3HZ       LYS   6 -10.697 -11.898  -7.641
   48    H    LEU   7           H        LEU   7  -5.427  -6.686  -4.422
   49    HA   LEU   7           HA       LEU   7  -7.905  -5.201  -4.609
   50   1HB   LEU   7          2HB       LEU   7  -5.596  -4.863  -2.639
   51   2HB   LEU   7          1HB       LEU   7  -7.167  -4.121  -2.481
   52    HG   LEU   7           HG       LEU   7  -6.567  -7.105  -2.310
   53   1HD1  LEU   7          1HD1      LEU   7  -5.960  -5.719  -0.309
   54   2HD1  LEU   7          3HD1      LEU   7  -7.579  -5.078  -0.256
   55   3HD1  LEU   7          2HD1      LEU   7  -7.300  -6.775   0.040
   56   1HD2  LEU   7          1HD2      LEU   7  -9.216  -5.590  -2.001
   57   2HD2  LEU   7          3HD2      LEU   7  -8.827  -6.658  -3.343
   58   3HD2  LEU   7          2HD2      LEU   7  -8.980  -7.306  -1.725
   59    HA   PRO   8           HA       PRO   8  -6.063  -2.488  -7.262
   60   1HB   PRO   8          2HB       PRO   8  -8.254  -0.905  -7.615
   61   2HB   PRO   8          1HB       PRO   8  -8.307  -2.654  -7.840
   62   1HG   PRO   8          2HG       PRO   8  -9.442  -0.984  -5.615
   63   2HG   PRO   8          1HG       PRO   8  -9.936  -2.594  -6.128
   64   1HD   PRO   8          2HD       PRO   8  -8.079  -1.790  -4.004
   65   2HD   PRO   8          1HD       PRO   8  -8.767  -3.397  -4.277
   66    H    LYS   9           H        LYS   9  -6.575  -0.178  -7.851
   67    HA   LYS   9           HA       LYS   9  -4.544   1.486  -6.417
   68   1HB   LYS   9          2HB       LYS   9  -4.408   1.268  -8.894
   69   2HB   LYS   9          1HB       LYS   9  -6.045   1.801  -9.119
   70   1HG   LYS   9          2HG       LYS   9  -3.727   3.456  -8.041
   71   2HG   LYS   9          1HG       LYS   9  -4.224   3.503  -9.710
   72   1HD   LYS   9          2HD       LYS   9  -5.844   4.488  -7.283
   73   2HD   LYS   9          1HD       LYS   9  -5.178   5.469  -8.526
   74   1HE   LYS   9          2HE       LYS   9  -6.884   5.212  -9.944
   75   2HE   LYS   9          1HE       LYS   9  -7.018   3.475  -9.695
   76   1HZ   LYS   9          2HZ       LYS   9  -7.645   4.872  -7.334
   77   2HZ   LYS   9          1HZ       LYS   9  -8.562   5.556  -8.394
   78   3HZ   LYS   9          3HZ       LYS   9  -8.657   3.852  -8.055
   79    H    ASP  10           H        ASP  10  -5.516   2.169  -4.560
   80    HA   ASP  10           HA       ASP  10  -8.169   3.502  -4.641
   81   1HB   ASP  10          2HB       ASP  10  -6.637   2.348  -2.312
   82   2HB   ASP  10          1HB       ASP  10  -8.218   3.096  -2.193
   83    H    GLU  11           H        GLU  11  -8.182   5.771  -4.654
   84    HA   GLU  11           HA       GLU  11  -6.095   7.167  -3.027
   85   1HB   GLU  11          2HB       GLU  11  -6.925   9.347  -4.516
   86   2HB   GLU  11          1HB       GLU  11  -6.073   8.159  -5.437
   87   1HG   GLU  11          2HG       GLU  11  -9.148   8.288  -5.401
   88   2HG   GLU  11          1HG       GLU  11  -8.074   9.016  -6.546
   89    H    GLY  12           H        GLY  12  -9.439   8.069  -3.805
   90   1HA   GLY  12          2HA       GLY  12 -11.099   8.139  -1.887
   91   2HA   GLY  12          1HA       GLY  12  -9.805   8.791  -0.902
   92    H    THR  13           H        THR  13 -12.256   9.984  -1.024
   93    HA   THR  13           HA       THR  13 -11.970  12.404  -2.766
   94    HB   THR  13           HB       THR  13 -14.346  12.910  -1.843
   95    HG1  THR  13           HG1      THR  13 -14.030  11.889   0.097
   96   1HG2  THR  13          2HG2      THR  13 -14.126  11.198  -3.818
   97   2HG2  THR  13          1HG2      THR  13 -14.067   9.949  -2.578
   98   3HG2  THR  13          3HG2      THR  13 -15.498  10.943  -2.746
   99    H    CYS  14           H        CYS  14 -10.063  12.261  -1.259
  100    HA   CYS  14           HA       CYS  14 -10.442  13.883   1.222
  101   1HB   CYS  14          2HB       CYS  14  -8.079  12.162   0.360
  102   2HB   CYS  14          1HB       CYS  14  -8.379  12.797   1.963
  103    H    ARG  15           H        ARG  15  -7.965  14.831   1.588
  104    HA   ARG  15           HA       ARG  15  -7.564  16.699  -0.722
  105   1HB   ARG  15          2HB       ARG  15  -8.744  17.605   1.353
  106   2HB   ARG  15          1HB       ARG  15  -7.225  17.386   2.193
  107   1HG   ARG  15          2HG       ARG  15  -7.391  19.712   1.491
  108   2HG   ARG  15          1HG       ARG  15  -6.074  18.952   0.658
  109   1HD   ARG  15          2HD       ARG  15  -8.851  19.318  -0.586
  110   2HD   ARG  15          1HD       ARG  15  -7.550  20.491  -0.784
  111    HE   ARG  15           HE       ARG  15  -6.258  18.206  -1.595
  112   1HH1  ARG  15          2HH1      ARG  15  -8.699  16.714  -2.139
  113   2HH1  ARG  15          1HH1      ARG  15  -8.959  17.100  -3.775
  114   1HH2  ARG  15          1HH2      ARG  15  -6.910  19.835  -3.552
  115   2HH2  ARG  15          2HH2      ARG  15  -7.929  18.957  -4.654
  116    H    ASP  16           H        ASP  16  -5.546  15.141   1.680
  117    HA   ASP  16           HA       ASP  16  -3.124  16.310   0.580
  118   1HB   ASP  16          2HB       ASP  16  -3.119  14.342   2.856
  119   2HB   ASP  16          1HB       ASP  16  -2.402  15.940   2.771
  120    H    PHE  17           H        PHE  17  -2.833  15.270  -1.411
  121    HA   PHE  17           HA       PHE  17  -2.753  12.276  -1.414
  122   1HB   PHE  17          2HB       PHE  17  -2.800  14.174  -3.803
  123   2HB   PHE  17          1HB       PHE  17  -2.799  12.433  -3.911
  124    HD1  PHE  17           HD1      PHE  17  -4.736  15.222  -2.388
  125    HD2  PHE  17           HD2      PHE  17  -4.834  11.251  -3.888
  126    HE1  PHE  17           HE1      PHE  17  -7.166  15.186  -2.152
  127    HE2  PHE  17           HE2      PHE  17  -7.285  11.221  -3.646
  128    HZ   PHE  17           HZ       PHE  17  -8.455  13.179  -2.779
  129    H    ILE  18           H        ILE  18  -1.224  11.097  -2.095
  130    HA   ILE  18           HA       ILE  18   1.510  12.207  -2.724
  131    HB   ILE  18           HB       ILE  18   1.146  11.600  -0.241
  132   1HG1  ILE  18          2HG1      ILE  18   3.404  10.016  -1.577
  133   2HG1  ILE  18          1HG1      ILE  18   3.438  11.763  -1.355
  134   1HG2  ILE  18          2HG2      ILE  18  -0.128   9.507  -0.626
  135   2HG2  ILE  18          1HG2      ILE  18   1.283   8.753  -1.355
  136   3HG2  ILE  18          3HG2      ILE  18   1.289   9.180   0.344
  137   1HD1  ILE  18          3HD1      ILE  18   3.198  11.479   1.096
  138   2HD1  ILE  18          2HD1      ILE  18   3.183   9.738   0.918
  139   3HD1  ILE  18          1HD1      ILE  18   4.621  10.644   0.504
  140    H    LEU  19           H        LEU  19   2.859  10.881  -4.023
  141    HA   LEU  19           HA       LEU  19   1.439   8.935  -5.647
  142   1HB   LEU  19          2HB       LEU  19   3.265  11.080  -6.021
  143   2HB   LEU  19          1HB       LEU  19   4.323   9.762  -6.270
  144    HG   LEU  19           HG       LEU  19   1.890  10.679  -7.940
  145   1HD1  LEU  19          1HD1      LEU  19   4.762  10.160  -8.703
  146   2HD1  LEU  19          3HD1      LEU  19   3.470  10.675  -9.760
  147   3HD1  LEU  19          2HD1      LEU  19   3.982  11.710  -8.449
  148   1HD2  LEU  19          3HD2      LEU  19   3.405   8.063  -8.382
  149   2HD2  LEU  19          2HD2      LEU  19   1.751   8.142  -7.804
  150   3HD2  LEU  19          1HD2      LEU  19   2.152   8.725  -9.398
  151    H    LYS  20           H        LYS  20   1.416   6.903  -4.840
  152    HA   LYS  20           HA       LYS  20   3.954   5.684  -3.717
  153   1HB   LYS  20          2HB       LYS  20   0.987   5.157  -3.280
  154   2HB   LYS  20          1HB       LYS  20   2.126   3.967  -2.744
  155   1HG   LYS  20          2HG       LYS  20   2.342   6.899  -1.856
  156   2HG   LYS  20          1HG       LYS  20   1.217   5.854  -1.047
  157   1HD   LYS  20          2HD       LYS  20   4.243   5.279  -1.189
  158   2HD   LYS  20          1HD       LYS  20   3.523   6.174   0.119
  159   1HE   LYS  20          2HE       LYS  20   2.165   4.226   0.824
  160   2HE   LYS  20          1HE       LYS  20   2.715   3.347  -0.577
  161   1HZ   LYS  20          3HZ       LYS  20   5.063   4.151   0.794
  162   2HZ   LYS  20          2HZ       LYS  20   4.019   3.560   1.983
  163   3HZ   LYS  20          1HZ       LYS  20   4.517   2.582   0.772
  164    H    TRP  21           H        TRP  21   3.730   3.052  -4.095
  165    HA   TRP  21           HA       TRP  21   3.453   2.568  -7.024
  166   1HB   TRP  21          2HB       TRP  21   5.260   1.188  -4.943
  167   2HB   TRP  21          1HB       TRP  21   5.098   0.650  -6.596
  168    HD1  TRP  21           HD1      TRP  21   6.555   3.611  -4.546
  169    HE1  TRP  21           HE1      TRP  21   8.273   4.696  -6.094
  170    HE3  TRP  21           HE3      TRP  21   5.836   0.919  -8.731
  171    HZ2  TRP  21           HZ2      TRP  21   9.320   4.448  -8.700
  172    HZ3  TRP  21           HZ3      TRP  21   7.210   1.292 -10.739
  173    HH2  TRP  21           HH2      TRP  21   8.959   3.044 -10.752
  174    H    TYR  22           H        TYR  22   2.011   0.904  -7.532
  175    HA   TYR  22           HA       TYR  22   0.940  -0.757  -5.270
  176   1HB   TYR  22          2HB       TYR  22  -1.189   0.081  -5.680
  177   2HB   TYR  22          1HB       TYR  22  -0.391   1.361  -6.548
  178    HD1  TYR  22           HD1      TYR  22   0.059   0.931  -9.175
  179    HD2  TYR  22           HD2      TYR  22  -2.660  -1.220  -6.725
  180    HE1  TYR  22           HE1      TYR  22  -1.181   0.110 -11.208
  181    HE2  TYR  22           HE2      TYR  22  -3.855  -2.015  -8.771
  182    HH   TYR  22           HH       TYR  22  -2.735  -1.700 -11.860
  183    H    TYR  23           H        TYR  23   0.584  -2.904  -5.917
  184    HA   TYR  23           HA       TYR  23   1.993  -3.867  -8.265
  185   1HB   TYR  23          2HB       TYR  23   2.096  -5.003  -6.043
  186   2HB   TYR  23          1HB       TYR  23   0.363  -5.275  -6.117
  187    HD1  TYR  23           HD1      TYR  23   3.366  -5.952  -8.299
  188    HD2  TYR  23           HD2      TYR  23  -0.480  -7.228  -7.015
  189    HE1  TYR  23           HE1      TYR  23   3.546  -7.974  -9.708
  190    HE2  TYR  23           HE2      TYR  23  -0.273  -9.238  -8.439
  191    HH   TYR  23           HH       TYR  23   1.429 -10.532  -9.335
  192    H    ASP  24           H        ASP  24   1.155  -4.312 -10.113
  193    HA   ASP  24           HA       ASP  24  -1.773  -4.322 -10.601
  194   1HB   ASP  24          2HB       ASP  24  -0.486  -2.542 -11.441
  195   2HB   ASP  24          1HB       ASP  24   0.612  -3.606 -12.306
  196    HA   PRO  25           HA       PRO  25  -0.697  -8.908 -11.056
  197   1HB   PRO  25          2HB       PRO  25  -3.435  -9.539 -11.177
  198   2HB   PRO  25          1HB       PRO  25  -2.463  -9.499  -9.707
  199   1HG   PRO  25          2HG       PRO  25  -4.139  -7.199 -10.872
  200   2HG   PRO  25          1HG       PRO  25  -4.152  -7.831  -9.216
  201   1HD   PRO  25          2HD       PRO  25  -2.706  -5.689  -9.632
  202   2HD   PRO  25          1HD       PRO  25  -1.899  -7.016  -8.785
  203    H    ASN  26           H        ASN  26  -2.209  -6.710 -13.122
  204    HA   ASN  26           HA       ASN  26  -2.639  -8.486 -15.427
  205   1HB   ASN  26          2HB       ASN  26  -4.192  -6.759 -15.527
  206   2HB   ASN  26          1HB       ASN  26  -3.242  -5.671 -14.550
  207   1HD2  ASN  26          2HD2      ASN  26  -2.088  -3.936 -17.292
  208   2HD2  ASN  26          1HD2      ASN  26  -2.067  -4.101 -15.588
  209    H    THR  27           H        THR  27  -0.347  -5.980 -14.605
  210    HA   THR  27           HA       THR  27   1.359  -6.655 -17.002
  211    HB   THR  27           HB       THR  27   1.038  -4.166 -16.382
  212    HG1  THR  27           HG1      THR  27   3.414  -5.651 -16.567
  213   1HG2  THR  27          2HG2      THR  27   1.332  -4.584 -13.842
  214   2HG2  THR  27          1HG2      THR  27   3.032  -4.905 -14.173
  215   3HG2  THR  27          3HG2      THR  27   2.355  -3.330 -14.528
  216    H    LYS  28           H        LYS  28   1.102  -7.095 -13.715
  217    HA   LYS  28           HA       LYS  28   1.970  -8.394 -12.184
  218   1HB   LYS  28          2HB       LYS  28   3.738  -9.455 -14.479
  219   2HB   LYS  28          1HB       LYS  28   3.468 -10.307 -12.988
  220   1HG   LYS  28          2HG       LYS  28   0.848  -9.697 -13.812
  221   2HG   LYS  28          1HG       LYS  28   1.631  -9.868 -15.338
  222   1HD   LYS  28          2HD       LYS  28   0.754 -12.156 -14.670
  223   2HD   LYS  28          1HD       LYS  28   2.496 -12.211 -14.624
  224   1HE   LYS  28          2HE       LYS  28   1.455 -13.245 -12.644
  225   2HE   LYS  28          1HE       LYS  28   2.495 -11.922 -12.183
  226   1HZ   LYS  28          2HZ       LYS  28  -0.165 -10.905 -12.698
  227   2HZ   LYS  28          1HZ       LYS  28  -0.157 -12.195 -11.570
  228   3HZ   LYS  28          3HZ       LYS  28   0.779 -10.921 -11.255
  229    H    SER  29           H        SER  29   3.109  -5.941 -12.398
  230    HA   SER  29           HA       SER  29   5.373  -6.360 -10.594
  231   1HB   SER  29          2HB       SER  29   6.462  -6.024 -12.845
  232   2HB   SER  29          1HB       SER  29   5.549  -4.529 -13.095
  233    HG   SER  29           HG       SER  29   7.319  -5.019 -10.836
  234    H    CYS  30           H        CYS  30   5.762  -3.356 -10.669
  235    HA   CYS  30           HA       CYS  30   3.102  -2.470  -9.575
  236   1HB   CYS  30          2HB       CYS  30   5.858  -2.027  -8.395
  237   2HB   CYS  30          1HB       CYS  30   4.378  -1.316  -7.796
  238    H    ALA  31           H        ALA  31   2.467  -0.405  -9.852
  239    HA   ALA  31           HA       ALA  31   4.059   1.384 -11.628
  240   1HB   ALA  31          2HB       ALA  31   1.036   0.812 -11.628
  241   2HB   ALA  31          1HB       ALA  31   1.830   1.951 -12.707
  242   3HB   ALA  31          3HB       ALA  31   2.160   0.235 -12.846
  243    H    ARG  32           H        ARG  32   3.153   3.671 -11.270
  244    HA   ARG  32           HA       ARG  32   2.820   4.027  -8.395
  245   1HB   ARG  32          2HB       ARG  32   3.841   5.787 -10.583
  246   2HB   ARG  32          1HB       ARG  32   3.839   6.229  -8.876
  247   1HG   ARG  32          2HG       ARG  32   5.300   4.104  -8.584
  248   2HG   ARG  32          1HG       ARG  32   5.238   3.885 -10.294
  249   1HD   ARG  32          2HD       ARG  32   7.224   5.088 -10.078
  250   2HD   ARG  32          1HD       ARG  32   6.041   6.181 -10.702
  251    HE   ARG  32           HE       ARG  32   7.301   7.166  -8.737
  252   1HH1  ARG  32          2HH1      ARG  32   6.028   4.795  -7.169
  253   2HH1  ARG  32          1HH1      ARG  32   5.109   5.739  -6.042
  254   1HH2  ARG  32          1HH2      ARG  32   5.603   8.570  -7.800
  255   2HH2  ARG  32          2HH2      ARG  32   4.976   7.850  -6.355
  256    H    PHE  33           H        PHE  33   1.316   5.411  -7.423
  257    HA   PHE  33           HA       PHE  33  -0.572   6.806  -9.252
  258   1HB   PHE  33          2HB       PHE  33  -2.507   5.454  -8.650
  259   2HB   PHE  33          1HB       PHE  33  -1.226   4.299  -8.823
  260    HD1  PHE  33           HD1      PHE  33   0.026   3.521  -6.710
  261    HD2  PHE  33           HD2      PHE  33  -3.680   5.599  -6.649
  262    HE1  PHE  33           HE1      PHE  33  -0.441   2.643  -4.449
  263    HE2  PHE  33           HE2      PHE  33  -4.150   4.737  -4.415
  264    HZ   PHE  33           HZ       PHE  33  -2.536   3.253  -3.311
  265    H    TRP  34           H        TRP  34  -1.994   8.220  -8.263
  266    HA   TRP  34           HA       TRP  34  -0.845   9.652  -5.955
  267   1HB   TRP  34          2HB       TRP  34  -2.925  10.256  -8.171
  268   2HB   TRP  34          1HB       TRP  34  -3.026  11.216  -6.776
  269    HD1  TRP  34           HD1      TRP  34  -1.993  11.495  -9.868
  270    HE1  TRP  34           HE1      TRP  34  -0.117  13.278 -10.092
  271    HE3  TRP  34           HE3      TRP  34  -0.436  11.751  -5.131
  272    HZ2  TRP  34           HZ2      TRP  34   1.745  14.671  -8.492
  273    HZ3  TRP  34           HZ3      TRP  34   1.348  13.339  -4.447
  274    HH2  TRP  34           HH2      TRP  34   2.450  14.772  -6.116
  275    H    TYR  35           H        TYR  35  -1.486   8.572  -3.997
  276    HA   TYR  35           HA       TYR  35  -4.422   8.023  -3.735
  277   1HB   TYR  35          2HB       TYR  35  -3.752   6.111  -2.685
  278   2HB   TYR  35          1HB       TYR  35  -2.099   6.528  -3.042
  279    HD1  TYR  35           HD2      TYR  35  -4.735   6.595  -0.444
  280    HD2  TYR  35           HD1      TYR  35  -0.637   7.424  -1.265
  281    HE1  TYR  35           HE2      TYR  35  -4.264   6.727   1.943
  282    HE2  TYR  35           HE1      TYR  35  -0.216   7.541   1.176
  283    HH   TYR  35           HH       TYR  35  -2.800   7.443   3.472
  284    H    GLY  36           H        GLY  36  -5.500   8.606  -1.735
  285   1HA   GLY  36          2HA       GLY  36  -4.570  11.264  -0.698
  286   2HA   GLY  36          1HA       GLY  36  -6.228  10.682  -0.689
  287    H    GLY  37           H        GLY  37  -3.857  11.419   1.226
  288   1HA   GLY  37          2HA       GLY  37  -2.965   9.901   3.126
  289   2HA   GLY  37          1HA       GLY  37  -4.024  11.198   3.668
  290    H    CYS  38           H        CYS  38  -6.374  10.470   3.353
  291    HA   CYS  38           HA       CYS  38  -7.493   9.059   5.276
  292   1HB   CYS  38          2HB       CYS  38  -8.204   8.826   2.350
  293   2HB   CYS  38          1HB       CYS  38  -9.248   8.228   3.603
  294    H    GLY  39           H        GLY  39  -6.173   7.333   2.565
  295   1HA   GLY  39          2HA       GLY  39  -4.955   5.179   3.596
  296   2HA   GLY  39          1HA       GLY  39  -6.563   4.733   4.035
  297    H    GLY  40           H        GLY  40  -7.842   3.675   2.531
  298   1HA   GLY  40          2HA       GLY  40  -8.343   2.575   0.375
  299   2HA   GLY  40          1HA       GLY  40  -6.841   3.249  -0.276
  300    H    ASN  41           H        ASN  41  -7.771   0.395  -0.226
  301    HA   ASN  41           HA       ASN  41  -6.745  -1.365   1.613
  302   1HB   ASN  41          2HB       ASN  41  -6.815  -2.970  -0.120
  303   2HB   ASN  41          1HB       ASN  41  -7.888  -1.704  -0.710
  304   1HD2  ASN  41          2HD2      ASN  41  -5.822  -1.007  -3.431
  305   2HD2  ASN  41          1HD2      ASN  41  -7.264  -0.619  -2.642
  306    H    GLU  42           H        GLU  42  -5.037  -2.908   1.505
  307    HA   GLU  42           HA       GLU  42  -2.541  -1.989   2.332
  308   1HB   GLU  42          2HB       GLU  42  -3.204  -4.757   1.259
  309   2HB   GLU  42          1HB       GLU  42  -1.958  -4.348   2.426
  310   1HG   GLU  42          2HG       GLU  42  -3.726  -5.095   3.858
  311   2HG   GLU  42          1HG       GLU  42  -4.062  -3.380   3.845
  312    H    ASN  43           H        ASN  43  -3.370  -2.624  -0.955
  313    HA   ASN  43           HA       ASN  43  -0.629  -2.901  -1.988
  314   1HB   ASN  43          2HB       ASN  43  -2.727  -3.989  -2.814
  315   2HB   ASN  43          1HB       ASN  43  -3.271  -2.440  -3.445
  316   1HD2  ASN  43          2HD2      ASN  43  -1.763  -3.721  -6.380
  317   2HD2  ASN  43          1HD2      ASN  43  -3.230  -3.659  -5.536
  318    H    LYS  44           H        LYS  44  -0.182  -1.044  -0.757
  319    HA   LYS  44           HA       LYS  44   0.002   1.408  -2.463
  320   1HB   LYS  44          2HB       LYS  44  -1.932   1.354  -0.847
  321   2HB   LYS  44          1HB       LYS  44  -0.755   1.404   0.453
  322   1HG   LYS  44          2HG       LYS  44   0.142   3.569  -0.703
  323   2HG   LYS  44          1HG       LYS  44  -1.324   3.555  -1.639
  324   1HD   LYS  44          2HD       LYS  44  -0.908   4.311   1.188
  325   2HD   LYS  44          1HD       LYS  44  -2.178   4.767   0.086
  326   1HE   LYS  44          2HE       LYS  44  -2.163   2.239   1.778
  327   2HE   LYS  44          1HE       LYS  44  -3.127   3.682   2.027
  328   1HZ   LYS  44          2HZ       LYS  44  -3.518   2.906  -0.651
  329   2HZ   LYS  44          1HZ       LYS  44  -3.729   1.518   0.325
  330   3HZ   LYS  44          3HZ       LYS  44  -4.607   2.877   0.623
  331    H    PHE  45           H        PHE  45   2.301   0.962  -2.768
  332    HA   PHE  45           HA       PHE  45   4.020   1.145  -0.369
  333   1HB   PHE  45          2HB       PHE  45   4.620   0.132  -3.143
  334   2HB   PHE  45          1HB       PHE  45   5.630  -0.061  -1.711
  335    HD1  PHE  45           HD2      PHE  45   4.435  -1.087   0.370
  336    HD2  PHE  45           HD1      PHE  45   2.894  -1.478  -3.575
  337    HE1  PHE  45           HE2      PHE  45   3.115  -3.005   1.079
  338    HE2  PHE  45           HE1      PHE  45   1.568  -3.411  -2.868
  339    HZ   PHE  45           HZ       PHE  45   1.675  -4.162  -0.504
  340    H    GLY  46           H        GLY  46   6.080   2.082  -0.507
  341   1HA   GLY  46          2HA       GLY  46   6.238   4.888  -1.518
  342   2HA   GLY  46          1HA       GLY  46   7.391   4.103  -0.425
  343    H    SER  47           H        SER  47   7.948   1.871  -1.945
  344    HA   SER  47           HA       SER  47   9.172   2.977  -4.396
  345   1HB   SER  47          2HB       SER  47  11.259   1.638  -3.877
  346   2HB   SER  47          1HB       SER  47  10.906   2.795  -2.582
  347    HG   SER  47           HG       SER  47   9.566   1.067  -1.639
  348    H    GLN  48           H        GLN  48   9.352   1.643  -6.212
  349    HA   GLN  48           HA       GLN  48   7.461  -0.346  -6.733
  350   1HB   GLN  48          2HB       GLN  48   9.196   0.672  -8.379
  351   2HB   GLN  48          1HB       GLN  48  10.353  -0.494  -7.779
  352   1HG   GLN  48          2HG       GLN  48   8.568  -2.348  -8.419
  353   2HG   GLN  48          1HG       GLN  48   7.731  -1.069  -9.271
  354   1HE2  GLN  48          2HE2      GLN  48  10.318  -2.871 -11.355
  355   2HE2  GLN  48          1HE2      GLN  48   9.295  -3.533 -10.166
  356    H    LYS  49           H        LYS  49  10.685  -0.855  -5.625
  357    HA   LYS  49           HA       LYS  49  10.711  -3.602  -5.188
  358   1HB   LYS  49          2HB       LYS  49  12.782  -2.302  -4.858
  359   2HB   LYS  49          1HB       LYS  49  12.011  -1.202  -3.739
  360   1HG   LYS  49          2HG       LYS  49  11.849  -3.541  -2.227
  361   2HG   LYS  49          1HG       LYS  49  13.112  -3.991  -3.315
  362   1HD   LYS  49          2HD       LYS  49  14.008  -3.010  -1.181
  363   2HD   LYS  49          1HD       LYS  49  14.584  -2.221  -2.619
  364   1HE   LYS  49          2HE       LYS  49  13.962  -0.677  -0.682
  365   2HE   LYS  49          1HE       LYS  49  13.282  -0.252  -2.239
  366   1HZ   LYS  49          2HZ       LYS  49  11.489  -2.067  -1.028
  367   2HZ   LYS  49          1HZ       LYS  49  11.838  -0.900   0.144
  368   3HZ   LYS  49          3HZ       LYS  49  11.247  -0.427  -1.346
  369    H    GLU  50           H        GLU  50   9.624  -1.304  -2.756
  370    HA   GLU  50           HA       GLU  50   8.998  -3.001  -0.651
  371   1HB   GLU  50          2HB       GLU  50   9.119  -0.646  -0.754
  372   2HB   GLU  50          1HB       GLU  50   7.708  -0.585  -1.793
  373   1HG   GLU  50          2HG       GLU  50   6.354  -1.401   0.228
  374   2HG   GLU  50          1HG       GLU  50   7.784  -1.181   1.209
  375    H    CYS  51           H        CYS  51   7.027  -1.979  -3.253
  376    HA   CYS  51           HA       CYS  51   4.692  -3.610  -2.888
  377   1HB   CYS  51          2HB       CYS  51   4.949  -1.494  -4.272
  378   2HB   CYS  51          1HB       CYS  51   5.866  -2.413  -5.412
  379    H    GLU  52           H        GLU  52   7.402  -4.080  -5.104
  380    HA   GLU  52           HA       GLU  52   6.672  -6.583  -6.270
  381   1HB   GLU  52          2HB       GLU  52   8.689  -4.766  -6.592
  382   2HB   GLU  52          1HB       GLU  52   9.571  -5.929  -5.624
  383   1HG   GLU  52          2HG       GLU  52   9.971  -6.679  -7.888
  384   2HG   GLU  52          1HG       GLU  52   8.614  -7.690  -7.436
  385    H    LYS  53           H        LYS  53   8.745  -5.947  -3.484
  386    HA   LYS  53           HA       LYS  53   9.154  -8.570  -2.573
  387   1HB   LYS  53          2HB       LYS  53  10.121  -6.320  -1.684
  388   2HB   LYS  53          1HB       LYS  53   8.661  -6.145  -0.759
  389   1HG   LYS  53          2HG       LYS  53  10.815  -8.312  -0.421
  390   2HG   LYS  53          1HG       LYS  53  10.437  -7.035   0.698
  391   1HD   LYS  53          2HD       LYS  53   9.236  -8.675   1.792
  392   2HD   LYS  53          1HD       LYS  53   7.981  -8.174   0.691
  393   1HE   LYS  53          2HE       LYS  53   9.128 -10.061  -0.898
  394   2HE   LYS  53          1HE       LYS  53   9.730 -10.645   0.640
  395   1HZ   LYS  53          3HZ       LYS  53   6.997  -9.966   0.967
  396   2HZ   LYS  53          2HZ       LYS  53   7.101 -10.821  -0.435
  397   3HZ   LYS  53          1HZ       LYS  53   7.630 -11.548   1.014
  398    H    VAL  54           H        VAL  54   6.464  -6.380  -1.524
  399    HA   VAL  54           HA       VAL  54   5.116  -8.274   0.063
  400    HB   VAL  54           HB       VAL  54   4.269  -5.877  -1.575
  401   1HG1  VAL  54          2HG1      VAL  54   2.563  -7.579   0.386
  402   2HG1  VAL  54          1HG1      VAL  54   2.048  -6.072  -0.329
  403   3HG1  VAL  54          3HG1      VAL  54   2.247  -7.481  -1.334
  404   1HG2  VAL  54          2HG2      VAL  54   4.462  -6.445   1.421
  405   2HG2  VAL  54          1HG2      VAL  54   5.612  -5.519   0.463
  406   3HG2  VAL  54          3HG2      VAL  54   3.987  -4.932   0.686
  407    H    CYS  55           H        CYS  55   4.409  -7.671  -3.355
  408    HA   CYS  55           HA       CYS  55   3.174 -10.433  -3.473
  409   1HB   CYS  55          2HB       CYS  55   1.564  -8.530  -3.621
  410   2HB   CYS  55          1HB       CYS  55   2.352  -8.012  -5.095
  411    H    ALA  56           H        ALA  56   4.817  -8.181  -5.552
  412    HA   ALA  56           HA       ALA  56   6.260  -8.470  -7.536
  413   1HB   ALA  56          2HB       ALA  56   6.401 -11.152  -6.246
  414   2HB   ALA  56          1HB       ALA  56   7.498 -10.540  -7.481
  415   3HB   ALA  56          3HB       ALA  56   7.410  -9.749  -5.913
  416    HA   PRO  57           HA       PRO  57   4.460 -10.528 -11.200
  417   1HB   PRO  57          2HB       PRO  57   6.547 -12.477 -11.571
  418   2HB   PRO  57          1HB       PRO  57   6.409 -10.885 -12.320
  419   1HG   PRO  57          2HG       PRO  57   7.784 -11.597  -9.675
  420   2HG   PRO  57          1HG       PRO  57   8.445 -10.631 -11.005
  421   1HD   PRO  57          2HD       PRO  57   7.462  -9.245  -9.023
  422   2HD   PRO  57          1HD       PRO  57   6.774  -8.857 -10.597
  423    H    VAL  58           HN       VAL  58   2.900 -11.350  -9.367
  424    HA   VAL  58           HA       VAL  58   2.498 -14.302  -9.730
  425    HB   VAL  58           HB       VAL  58   1.683 -12.544  -7.368
  426   1HG1  VAL  58          2HG1      VAL  58   1.554 -15.577  -7.770
  427   2HG1  VAL  58          1HG1      VAL  58   1.094 -14.723  -6.299
  428   3HG1  VAL  58          3HG1      VAL  58   0.182 -14.481  -7.781
  429   1HG2  VAL  58          2HG2      VAL  58   3.883 -14.662  -7.564
  430   2HG2  VAL  58          1HG2      VAL  58   4.127 -12.925  -7.418
  431   3HG2  VAL  58          3HG2      VAL  58   3.407 -13.807  -6.098
   
  No H/Q in entry =         431
  Start of MODEL    9
    1   1H    GLU   1          2H        GLU   1  -1.302 -16.968  -4.718
    2   2H    GLU   1          1H        GLU   1  -0.899 -18.543  -4.226
    3   3H    GLU   1          3H        GLU   1  -2.458 -18.253  -4.698
    4    HA   GLU   1           HA       GLU   1  -3.066 -17.690  -2.645
    5   1HB   GLU   1          2HB       GLU   1  -0.090 -18.387  -2.083
    6   2HB   GLU   1          1HB       GLU   1  -1.322 -18.337  -0.843
    7   1HG   GLU   1          2HG       GLU   1  -0.679 -20.716  -2.148
    8   2HG   GLU   1          1HG       GLU   1  -2.298 -20.465  -1.571
    9    H    THR   2           H        THR   2  -3.255 -15.710  -1.349
   10    HA   THR   2           HA       THR   2  -2.203 -13.682  -0.350
   11    HB   THR   2           HB       THR   2  -0.120 -13.576  -1.948
   12    HG1  THR   2           HG1      THR   2  -0.488 -11.261  -2.019
   13   1HG2  THR   2          2HG2      THR   2  -1.563 -13.534  -4.183
   14   2HG2  THR   2          1HG2      THR   2  -2.112 -11.955  -3.650
   15   3HG2  THR   2          3HG2      THR   2  -0.414 -12.230  -3.969
   16    H    ASP   3           H        ASP   3  -2.986 -11.548  -0.790
   17    HA   ASP   3           HA       ASP   3  -5.453 -11.607  -2.496
   18   1HB   ASP   3          2HB       ASP   3  -5.932 -11.996  -0.061
   19   2HB   ASP   3          1HB       ASP   3  -5.613 -10.278   0.196
   20    H    ILE   4           H        ILE   4  -4.253  -8.953  -0.763
   21    HA   ILE   4           HA       ILE   4  -5.277  -6.702  -1.906
   22    HB   ILE   4           HB       ILE   4  -3.238  -5.519  -1.356
   23   1HG1  ILE   4          2HG1      ILE   4  -2.033  -8.321  -0.904
   24   2HG1  ILE   4          1HG1      ILE   4  -1.552  -7.213  -2.172
   25   1HG2  ILE   4          2HG2      ILE   4  -4.833  -6.140   0.438
   26   2HG2  ILE   4          1HG2      ILE   4  -4.011  -7.666   0.686
   27   3HG2  ILE   4          3HG2      ILE   4  -3.202  -6.164   1.076
   28   1HD1  ILE   4          3HD1      ILE   4  -0.760  -5.568  -0.504
   29   2HD1  ILE   4          2HD1      ILE   4  -1.194  -6.650   0.806
   30   3HD1  ILE   4          1HD1      ILE   4   0.053  -7.107  -0.329
   31    H    CYS   5           H        CYS   5  -2.863  -8.586  -3.258
   32    HA   CYS   5           HA       CYS   5  -1.929  -7.043  -5.450
   33   1HB   CYS   5          2HB       CYS   5  -2.350 -10.008  -5.193
   34   2HB   CYS   5          1HB       CYS   5  -1.128  -9.248  -6.208
   35    H    LYS   6           H        LYS   6  -4.954  -8.233  -4.986
   36    HA   LYS   6           HA       LYS   6  -5.874  -8.198  -7.835
   37   1HB   LYS   6          2HB       LYS   6  -7.140  -9.075  -5.257
   38   2HB   LYS   6          1HB       LYS   6  -8.008  -9.137  -6.783
   39   1HG   LYS   6          2HG       LYS   6  -6.434 -10.789  -7.682
   40   2HG   LYS   6          1HG       LYS   6  -5.434 -10.689  -6.251
   41   1HD   LYS   6          2HD       LYS   6  -8.407 -11.555  -6.137
   42   2HD   LYS   6          1HD       LYS   6  -7.109 -12.705  -6.341
   43   1HE   LYS   6          2HE       LYS   6  -7.513 -12.738  -3.984
   44   2HE   LYS   6          1HE       LYS   6  -6.082 -11.759  -4.247
   45   1HZ   LYS   6          3HZ       LYS   6  -8.386 -10.051  -4.390
   46   2HZ   LYS   6          2HZ       LYS   6  -8.439 -10.957  -2.952
   47   3HZ   LYS   6          1HZ       LYS   6  -7.149 -10.032  -3.250
   48    H    LEU   7           H        LEU   7  -5.481  -5.837  -5.668
   49    HA   LEU   7           HA       LEU   7  -8.085  -4.646  -6.056
   50   1HB   LEU   7          2HB       LEU   7  -5.789  -3.851  -4.231
   51   2HB   LEU   7          1HB       LEU   7  -7.364  -3.102  -4.174
   52    HG   LEU   7           HG       LEU   7  -6.750  -6.045  -3.591
   53   1HD1  LEU   7          1HD1      LEU   7  -6.006  -4.418  -1.846
   54   2HD1  LEU   7          3HD1      LEU   7  -7.623  -3.738  -1.806
   55   3HD1  LEU   7          2HD1      LEU   7  -7.356  -5.394  -1.276
   56   1HD2  LEU   7          2HD2      LEU   7  -9.356  -4.458  -3.331
   57   2HD2  LEU   7          1HD2      LEU   7  -9.062  -5.706  -4.529
   58   3HD2  LEU   7          3HD2      LEU   7  -9.122  -6.123  -2.832
   59    HA   PRO   8           HA       PRO   8  -6.428  -1.674  -8.878
   60   1HB   PRO   8          2HB       PRO   8  -8.567  -0.168  -9.294
   61   2HB   PRO   8          1HB       PRO   8  -8.747  -1.926  -9.421
   62   1HG   PRO   8          2HG       PRO   8  -9.316  -0.162  -6.952
   63   2HG   PRO   8          1HG       PRO   8 -10.425  -1.294  -7.725
   64   1HD   PRO   8          2HD       PRO   8  -8.770  -1.972  -5.555
   65   2HD   PRO   8          1HD       PRO   8  -9.376  -3.167  -6.732
   66    H    LYS   9           H        LYS   9  -6.509   0.687  -9.290
   67    HA   LYS   9           HA       LYS   9  -4.658   2.103  -7.633
   68   1HB   LYS   9          2HB       LYS   9  -6.756   3.383  -9.463
   69   2HB   LYS   9          1HB       LYS   9  -5.224   4.070  -9.054
   70   1HG   LYS   9          2HG       LYS   9  -5.455   1.492 -10.730
   71   2HG   LYS   9          1HG       LYS   9  -5.470   3.094 -11.438
   72   1HD   LYS   9          2HD       LYS   9  -3.224   3.483 -10.166
   73   2HD   LYS   9          1HD       LYS   9  -3.182   1.762  -9.903
   74   1HE   LYS   9          2HE       LYS   9  -3.334   3.127 -12.653
   75   2HE   LYS   9          1HE       LYS   9  -1.844   2.571 -11.921
   76   1HZ   LYS   9          1HZ       LYS   9  -3.521   0.311 -11.868
   77   2HZ   LYS   9          3HZ       LYS   9  -3.716   0.959 -13.409
   78   3HZ   LYS   9          2HZ       LYS   9  -2.248   0.537 -12.819
   79    H    ASP  10           H        ASP  10  -5.468   1.925  -5.401
   80    HA   ASP  10           HA       ASP  10  -7.985   3.358  -4.750
   81   1HB   ASP  10          2HB       ASP  10  -7.555   1.069  -3.925
   82   2HB   ASP  10          1HB       ASP  10  -6.133   1.656  -3.059
   83    H    GLU  11           H        GLU  11  -7.092   5.385  -5.327
   84    HA   GLU  11           HA       GLU  11  -5.064   6.763  -3.837
   85   1HB   GLU  11          2HB       GLU  11  -7.419   7.858  -5.541
   86   2HB   GLU  11          1HB       GLU  11  -6.007   8.777  -5.082
   87   1HG   GLU  11          2HG       GLU  11  -4.508   6.936  -6.107
   88   2HG   GLU  11          1HG       GLU  11  -5.923   6.118  -6.688
   89    H    GLY  12           H        GLY  12  -8.584   6.755  -3.411
   90   1HA   GLY  12          2HA       GLY  12  -9.555   6.664  -1.148
   91   2HA   GLY  12          1HA       GLY  12  -8.193   7.555  -0.553
   92    H    THR  13           H        THR  13 -10.130   8.400   0.531
   93    HA   THR  13           HA       THR  13 -11.225  10.819  -0.902
   94    HB   THR  13           HB       THR  13 -12.730   9.383   1.360
   95    HG1  THR  13           HG1      THR  13 -13.527   9.125  -1.266
   96   1HG2  THR  13          3HG2      THR  13 -13.640  11.051  -1.064
   97   2HG2  THR  13          2HG2      THR  13 -14.660  10.435   0.233
   98   3HG2  THR  13          1HG2      THR  13 -13.500  11.709   0.556
   99    H    CYS  14           H        CYS  14  -8.863  10.803   0.586
  100    HA   CYS  14           HA       CYS  14  -9.503  12.557   2.948
  101   1HB   CYS  14          2HB       CYS  14  -8.414  10.342   3.355
  102   2HB   CYS  14          1HB       CYS  14  -7.048  10.859   2.411
  103    H    ARG  15           H        ARG  15  -6.382  13.092   2.759
  104    HA   ARG  15           HA       ARG  15  -6.455  15.065   0.498
  105   1HB   ARG  15          2HB       ARG  15  -5.872  15.844   3.402
  106   2HB   ARG  15          1HB       ARG  15  -5.785  16.940   2.035
  107   1HG   ARG  15          2HG       ARG  15  -8.195  16.182   1.489
  108   2HG   ARG  15          1HG       ARG  15  -8.236  15.459   3.090
  109   1HD   ARG  15          2HD       ARG  15  -7.846  17.718   4.060
  110   2HD   ARG  15          1HD       ARG  15  -7.943  18.405   2.428
  111    HE   ARG  15           HE       ARG  15 -10.194  16.926   3.835
  112   1HH1  ARG  15          2HH1      ARG  15 -10.112  16.161   1.193
  113   2HH1  ARG  15          1HH1      ARG  15 -11.200  17.236   0.386
  114   1HH2  ARG  15          1HH2      ARG  15 -10.854  19.400   3.103
  115   2HH2  ARG  15          2HH2      ARG  15 -11.656  19.262   1.571
  116    H    ASP  16           H        ASP  16  -4.778  12.775   0.712
  117    HA   ASP  16           HA       ASP  16  -2.050  14.038   0.659
  118   1HB   ASP  16          2HB       ASP  16  -2.320  12.448   2.547
  119   2HB   ASP  16          1HB       ASP  16  -2.841  11.174   1.455
  120    H    PHE  17           H        PHE  17  -2.844  14.492  -1.761
  121    HA   PHE  17           HA       PHE  17  -2.662  12.053  -3.445
  122   1HB   PHE  17          2HB       PHE  17  -2.632  14.851  -4.576
  123   2HB   PHE  17          1HB       PHE  17  -3.061  13.383  -5.351
  124    HD1  PHE  17           HD1      PHE  17  -4.974  11.995  -4.688
  125    HD2  PHE  17           HD2      PHE  17  -4.492  15.962  -3.255
  126    HE1  PHE  17           HE1      PHE  17  -7.332  12.028  -4.075
  127    HE2  PHE  17           HE2      PHE  17  -6.882  16.011  -2.629
  128    HZ   PHE  17           HZ       PHE  17  -8.302  14.044  -3.036
  129    H    ILE  18           H        ILE  18  -0.604  11.868  -2.325
  130    HA   ILE  18           HA       ILE  18   1.649  12.926  -4.057
  131    HB   ILE  18           HB       ILE  18   2.030  13.464  -1.575
  132   1HG1  ILE  18          2HG1      ILE  18   3.870  12.700  -3.359
  133   2HG1  ILE  18          1HG1      ILE  18   4.326  12.958  -1.694
  134   1HG2  ILE  18          1HG2      ILE  18   0.913  11.527  -0.529
  135   2HG2  ILE  18          3HG2      ILE  18   2.217  10.471  -1.081
  136   3HG2  ILE  18          2HG2      ILE  18   2.533  11.734   0.079
  137   1HD1  ILE  18          2HD1      ILE  18   3.671  10.214  -2.903
  138   2HD1  ILE  18          1HD1      ILE  18   5.288  10.806  -2.629
  139   3HD1  ILE  18          3HD1      ILE  18   4.236  10.483  -1.278
  140    H    LEU  19           H        LEU  19   2.455  11.628  -5.258
  141    HA   LEU  19           HA       LEU  19   1.370   9.231  -6.069
  142   1HB   LEU  19          2HB       LEU  19   4.060  10.501  -6.497
  143   2HB   LEU  19          1HB       LEU  19   4.003   8.823  -6.916
  144    HG   LEU  19           HG       LEU  19   2.422  11.120  -8.334
  145   1HD1  LEU  19          3HD1      LEU  19   4.219   8.927  -9.346
  146   2HD1  LEU  19          2HD1      LEU  19   3.468  10.205 -10.286
  147   3HD1  LEU  19          1HD1      LEU  19   4.697  10.614  -9.099
  148   1HD2  LEU  19          1HD2      LEU  19   1.930   8.138  -8.692
  149   2HD2  LEU  19          3HD2      LEU  19   0.787   9.288  -8.024
  150   3HD2  LEU  19          2HD2      LEU  19   1.290   9.444  -9.674
  151    H    LYS  20           H        LYS  20   1.406   7.163  -5.602
  152    HA   LYS  20           HA       LYS  20   3.406   5.992  -3.690
  153   1HB   LYS  20          2HB       LYS  20   0.431   5.344  -3.843
  154   2HB   LYS  20          1HB       LYS  20   1.539   4.670  -2.668
  155   1HG   LYS  20          2HG       LYS  20   0.655   7.553  -2.942
  156   2HG   LYS  20          1HG       LYS  20   0.027   6.434  -1.745
  157   1HD   LYS  20          2HD       LYS  20   2.674   6.293  -1.080
  158   2HD   LYS  20          1HD       LYS  20   2.710   7.855  -1.859
  159   1HE   LYS  20          2HE       LYS  20   0.898   7.097   0.485
  160   2HE   LYS  20          1HE       LYS  20   2.322   8.124   0.570
  161   1HZ   LYS  20          2HZ       LYS  20   0.707   9.205  -1.474
  162   2HZ   LYS  20          1HZ       LYS  20  -0.307   8.932  -0.127
  163   3HZ   LYS  20          3HZ       LYS  20   0.954   9.846   0.076
  164    H    TRP  21           H        TRP  21   3.155   3.372  -3.844
  165    HA   TRP  21           HA       TRP  21   3.014   2.697  -6.772
  166   1HB   TRP  21          2HB       TRP  21   4.766   1.489  -4.586
  167   2HB   TRP  21          1HB       TRP  21   4.687   0.885  -6.233
  168    HD1  TRP  21           HD1      TRP  21   5.916   3.891  -4.166
  169    HE1  TRP  21           HE1      TRP  21   7.530   5.124  -5.659
  170    HE3  TRP  21           HE3      TRP  21   5.287   1.324  -8.438
  171    HZ2  TRP  21           HZ2      TRP  21   8.541   5.051  -8.308
  172    HZ3  TRP  21           HZ3      TRP  21   6.581   1.872 -10.473
  173    HH2  TRP  21           HH2      TRP  21   8.213   3.710 -10.453
  174    H    TYR  22           H        TYR  22   1.833   0.852  -7.347
  175    HA   TYR  22           HA       TYR  22   0.713  -0.818  -5.123
  176   1HB   TYR  22          2HB       TYR  22  -1.440  -0.002  -5.495
  177   2HB   TYR  22          1HB       TYR  22  -0.674   1.333  -6.281
  178    HD1  TYR  22           HD1      TYR  22  -0.023   0.792  -8.904
  179    HD2  TYR  22           HD2      TYR  22  -3.027  -1.054  -6.561
  180    HE1  TYR  22           HE1      TYR  22  -1.241   0.100 -10.964
  181    HE2  TYR  22           HE2      TYR  22  -4.228  -1.743  -8.613
  182    HH   TYR  22           HH       TYR  22  -3.107  -2.021 -11.359
  183    H    TYR  23           H        TYR  23   0.057  -2.901  -5.792
  184    HA   TYR  23           HA       TYR  23   1.628  -3.915  -8.031
  185   1HB   TYR  23          2HB       TYR  23   1.206  -5.192  -5.875
  186   2HB   TYR  23          1HB       TYR  23  -0.494  -5.288  -6.314
  187    HD1  TYR  23           HD1      TYR  23   2.888  -6.143  -7.639
  188    HD2  TYR  23           HD2      TYR  23  -1.276  -6.900  -7.799
  189    HE1  TYR  23           HE1      TYR  23   3.279  -8.051  -9.166
  190    HE2  TYR  23           HE2      TYR  23  -0.877  -8.801  -9.330
  191    HH   TYR  23           HH       TYR  23   2.399  -9.628 -10.324
  192    H    ASP  24           H        ASP  24   0.901  -3.977 -10.008
  193    HA   ASP  24           HA       ASP  24  -1.989  -3.534 -10.591
  194   1HB   ASP  24          2HB       ASP  24  -0.287  -1.788 -11.077
  195   2HB   ASP  24          1HB       ASP  24   0.406  -2.828 -12.282
  196    HA   PRO  25           HA       PRO  25  -1.890  -7.921 -12.023
  197   1HB   PRO  25          2HB       PRO  25  -4.646  -7.263 -12.763
  198   2HB   PRO  25          1HB       PRO  25  -4.098  -8.283 -11.431
  199   1HG   PRO  25          2HG       PRO  25  -4.644  -5.279 -11.413
  200   2HG   PRO  25          1HG       PRO  25  -5.029  -6.466 -10.163
  201   1HD   PRO  25          2HD       PRO  25  -2.950  -4.944  -9.735
  202   2HD   PRO  25          1HD       PRO  25  -2.670  -6.679  -9.548
  203    H    ASN  26           H        ASN  26  -2.516  -4.927 -13.803
  204    HA   ASN  26           HA       ASN  26  -2.784  -6.128 -16.419
  205   1HB   ASN  26          2HB       ASN  26  -3.533  -3.776 -15.743
  206   2HB   ASN  26          1HB       ASN  26  -1.865  -3.299 -15.627
  207   1HD2  ASN  26          2HD2      ASN  26  -2.148  -4.072 -19.421
  208   2HD2  ASN  26          1HD2      ASN  26  -1.707  -5.276 -18.297
  209    H    THR  27           H        THR  27  -0.115  -4.930 -14.591
  210    HA   THR  27           HA       THR  27   1.850  -5.836 -16.732
  211    HB   THR  27           HB       THR  27   2.478  -3.579 -16.075
  212    HG1  THR  27           HG1      THR  27   4.017  -5.673 -15.562
  213   1HG2  THR  27          3HG2      THR  27   2.465  -4.529 -13.178
  214   2HG2  THR  27          2HG2      THR  27   2.904  -2.953 -13.777
  215   3HG2  THR  27          1HG2      THR  27   1.244  -3.500 -13.904
  216    H    LYS  28           H        LYS  28   0.882  -6.384 -13.503
  217    HA   LYS  28           HA       LYS  28   1.074  -8.078 -12.093
  218   1HB   LYS  28          2HB       LYS  28   1.656  -9.213 -14.636
  219   2HB   LYS  28          1HB       LYS  28   3.057  -9.669 -13.722
  220   1HG   LYS  28          2HG       LYS  28   1.905 -10.988 -12.211
  221   2HG   LYS  28          1HG       LYS  28   0.384 -10.195 -12.427
  222   1HD   LYS  28          2HD       LYS  28   1.850 -11.987 -14.541
  223   2HD   LYS  28          1HD       LYS  28   0.477 -12.547 -13.640
  224   1HE   LYS  28          2HE       LYS  28   0.507 -10.358 -15.790
  225   2HE   LYS  28          1HE       LYS  28  -0.253 -11.934 -15.876
  226   1HZ   LYS  28          2HZ       LYS  28  -1.093 -10.668 -13.506
  227   2HZ   LYS  28          1HZ       LYS  28  -1.351  -9.556 -14.728
  228   3HZ   LYS  28          3HZ       LYS  28  -2.082 -11.066 -14.828
  229    H    SER  29           H        SER  29   2.749  -5.962 -12.259
  230    HA   SER  29           HA       SER  29   4.855  -6.625 -10.311
  231   1HB   SER  29          2HB       SER  29   6.529  -5.323 -11.630
  232   2HB   SER  29          1HB       SER  29   5.678  -6.281 -12.848
  233    HG   SER  29           HG       SER  29   4.687  -4.466 -13.560
  234    H    CYS  30           H        CYS  30   5.458  -3.598 -10.341
  235    HA   CYS  30           HA       CYS  30   2.850  -2.634  -9.264
  236   1HB   CYS  30          2HB       CYS  30   5.619  -2.139  -8.112
  237   2HB   CYS  30          1HB       CYS  30   4.096  -1.574  -7.485
  238    H    ALA  31           H        ALA  31   2.261  -0.617  -9.624
  239    HA   ALA  31           HA       ALA  31   3.927   1.109 -11.384
  240   1HB   ALA  31          1HB       ALA  31   0.927   0.476 -11.548
  241   2HB   ALA  31          3HB       ALA  31   1.752   1.601 -12.618
  242   3HB   ALA  31          2HB       ALA  31   2.145  -0.108 -12.651
  243    H    ARG  32           H        ARG  32   2.798   3.281 -11.435
  244    HA   ARG  32           HA       ARG  32   2.644   4.259  -8.691
  245   1HB   ARG  32          2HB       ARG  32   3.046   5.551 -11.328
  246   2HB   ARG  32          1HB       ARG  32   3.159   6.445  -9.796
  247   1HG   ARG  32          2HG       ARG  32   5.164   4.977  -9.204
  248   2HG   ARG  32          1HG       ARG  32   4.934   4.053 -10.663
  249   1HD   ARG  32          2HD       ARG  32   6.378   5.493 -11.688
  250   2HD   ARG  32          1HD       ARG  32   5.068   6.660 -11.699
  251    HE   ARG  32           HE       ARG  32   6.044   7.105  -9.172
  252   1HH1  ARG  32          1HH2      ARG  32   8.284   5.641 -10.082
  253   2HH1  ARG  32          2HH2      ARG  32   9.473   6.848 -10.487
  254   1HH2  ARG  32          2HH1      ARG  32   6.826   9.119 -10.569
  255   2HH2  ARG  32          1HH1      ARG  32   8.542   9.027 -10.784
  256    H    PHE  33           H        PHE  33   1.106   5.460  -7.894
  257    HA   PHE  33           HA       PHE  33  -1.205   6.495  -9.459
  258   1HB   PHE  33          2HB       PHE  33  -2.880   5.195  -8.344
  259   2HB   PHE  33          1HB       PHE  33  -1.646   4.034  -8.803
  260    HD1  PHE  33           HD1      PHE  33   0.271   3.700  -6.825
  261    HD2  PHE  33           HD2      PHE  33  -3.748   4.978  -6.306
  262    HE1  PHE  33           HE1      PHE  33   0.312   2.951  -4.483
  263    HE2  PHE  33           HE2      PHE  33  -3.715   4.239  -3.986
  264    HZ   PHE  33           HZ       PHE  33  -1.675   3.216  -3.067
  265    H    TRP  34           H        TRP  34  -2.814   7.603  -7.786
  266    HA   TRP  34           HA       TRP  34  -1.082   9.345  -6.087
  267   1HB   TRP  34          2HB       TRP  34  -3.984   9.550  -7.199
  268   2HB   TRP  34          1HB       TRP  34  -3.456  10.819  -6.243
  269    HD1  TRP  34           HD1      TRP  34  -3.807   9.815  -9.385
  270    HE1  TRP  34           HE1      TRP  34  -2.354  11.239 -10.998
  271    HE3  TRP  34           HE3      TRP  34  -0.703  12.001  -6.086
  272    HZ2  TRP  34           HZ2      TRP  34  -0.203  13.067 -10.899
  273    HZ3  TRP  34           HZ3      TRP  34   1.011  13.607  -6.835
  274    HH2  TRP  34           HH2      TRP  34   1.277  14.139  -9.224
  275    H    TYR  35           H        TYR  35  -2.624  10.237  -4.128
  276    HA   TYR  35           HA       TYR  35  -3.792   7.923  -2.728
  277   1HB   TYR  35          2HB       TYR  35  -1.222   8.156  -2.443
  278   2HB   TYR  35          1HB       TYR  35  -1.570   9.509  -1.380
  279    HD1  TYR  35           HD1      TYR  35  -2.543   5.992  -2.015
  280    HD2  TYR  35           HD2      TYR  35  -2.087   9.012   0.932
  281    HE1  TYR  35           HE1      TYR  35  -3.081   4.385  -0.225
  282    HE2  TYR  35           HE2      TYR  35  -2.567   7.410   2.689
  283    HH   TYR  35           HH       TYR  35  -3.913   5.160   2.783
  284    H    GLY  36           H        GLY  36  -4.170   8.628  -0.480
  285   1HA   GLY  36          2HA       GLY  36  -4.967  10.713   0.928
  286   2HA   GLY  36          1HA       GLY  36  -6.056  10.967  -0.463
  287    H    GLY  37           H        GLY  37  -4.883   8.108   0.967
  288   1HA   GLY  37          2HA       GLY  37  -7.644   7.068   1.573
  289   2HA   GLY  37          1HA       GLY  37  -6.286   6.047   1.113
  290    H    CYS  38           H        CYS  38  -7.304   8.356   3.549
  291    HA   CYS  38           HA       CYS  38  -5.451   7.260   5.587
  292   1HB   CYS  38          2HB       CYS  38  -7.671   9.355   5.817
  293   2HB   CYS  38          1HB       CYS  38  -6.332   9.148   6.903
  294    H    GLY  39           H        GLY  39  -6.566   5.334   4.831
  295   1HA   GLY  39          2HA       GLY  39  -7.555   3.475   6.355
  296   2HA   GLY  39          1HA       GLY  39  -9.010   4.480   6.371
  297    H    GLY  40           H        GLY  40  -6.737   3.309   3.991
  298   1HA   GLY  40          2HA       GLY  40  -8.952   2.443   2.127
  299   2HA   GLY  40          1HA       GLY  40  -7.388   3.012   1.553
  300    H    ASN  41           H        ASN  41  -6.972   1.038   0.453
  301    HA   ASN  41           HA       ASN  41  -6.716  -1.375   2.247
  302   1HB   ASN  41          2HB       ASN  41  -7.171  -2.687   0.300
  303   2HB   ASN  41          1HB       ASN  41  -8.138  -1.242   0.037
  304   1HD2  ASN  41          2HD2      ASN  41  -6.401  -0.414  -2.868
  305   2HD2  ASN  41          1HD2      ASN  41  -7.651   0.018  -1.820
  306    H    GLU  42           H        GLU  42  -4.960  -3.008   1.541
  307    HA   GLU  42           HA       GLU  42  -2.414  -1.479   1.618
  308   1HB   GLU  42          2HB       GLU  42  -3.146  -4.289   2.463
  309   2HB   GLU  42          1HB       GLU  42  -1.498  -3.678   2.480
  310   1HG   GLU  42          2HG       GLU  42  -3.865  -2.557   4.113
  311   2HG   GLU  42          1HG       GLU  42  -2.328  -3.134   4.713
  312    H    ASN  43           H        ASN  43  -3.657  -2.094  -0.986
  313    HA   ASN  43           HA       ASN  43  -1.264  -3.422  -2.274
  314   1HB   ASN  43          2HB       ASN  43  -3.569  -4.158  -3.009
  315   2HB   ASN  43          1HB       ASN  43  -3.987  -2.502  -3.464
  316   1HD2  ASN  43          2HD2      ASN  43  -2.693  -3.579  -6.642
  317   2HD2  ASN  43          1HD2      ASN  43  -4.160  -3.358  -5.832
  318    H    LYS  44           H        LYS  44  -0.601  -1.590  -1.003
  319    HA   LYS  44           HA       LYS  44   0.049   0.699  -2.676
  320   1HB   LYS  44          2HB       LYS  44  -2.049   1.522  -1.844
  321   2HB   LYS  44          1HB       LYS  44  -1.814   0.848  -0.273
  322   1HG   LYS  44          2HG       LYS  44   0.153   2.969  -1.148
  323   2HG   LYS  44          1HG       LYS  44  -1.460   3.518  -0.872
  324   1HD   LYS  44          2HD       LYS  44   0.447   2.204   1.182
  325   2HD   LYS  44          1HD       LYS  44  -0.198   3.813   1.227
  326   1HE   LYS  44          2HE       LYS  44  -1.533   2.833   2.845
  327   2HE   LYS  44          1HE       LYS  44  -2.547   2.593   1.437
  328   1HZ   LYS  44          2HZ       LYS  44  -0.681   0.410   1.566
  329   2HZ   LYS  44          1HZ       LYS  44  -1.406   0.585   3.064
  330   3HZ   LYS  44          3HZ       LYS  44  -2.402   0.412   1.814
  331    H    PHE  45           H        PHE  45   2.036   1.041  -2.525
  332    HA   PHE  45           HA       PHE  45   3.537   0.758   0.037
  333   1HB   PHE  45          2HB       PHE  45   4.421  -0.116  -2.763
  334   2HB   PHE  45          1HB       PHE  45   5.254  -0.434  -1.260
  335    HD1  PHE  45           HD2      PHE  45   4.353  -2.016   0.356
  336    HD2  PHE  45           HD1      PHE  45   2.359  -1.339  -3.330
  337    HE1  PHE  45           HE2      PHE  45   3.011  -4.052   0.706
  338    HE2  PHE  45           HE1      PHE  45   1.021  -3.376  -2.996
  339    HZ   PHE  45           HZ       PHE  45   1.333  -4.722  -0.981
  340    H    GLY  46           H        GLY  46   5.619   1.765  -0.012
  341   1HA   GLY  46          2HA       GLY  46   5.547   4.605  -0.871
  342   2HA   GLY  46          1HA       GLY  46   6.811   3.834   0.092
  343    H    SER  47           H        SER  47   7.223   1.758  -1.817
  344    HA   SER  47           HA       SER  47   8.441   3.154  -4.179
  345   1HB   SER  47          2HB       SER  47   9.932   1.471  -2.210
  346   2HB   SER  47          1HB       SER  47  10.527   1.736  -3.873
  347    HG   SER  47           HG       SER  47   9.489   3.915  -2.406
  348    H    GLN  48           H        GLN  48   8.893   1.926  -6.057
  349    HA   GLN  48           HA       GLN  48   6.998  -0.031  -6.773
  350   1HB   GLN  48          2HB       GLN  48   8.510   1.345  -8.321
  351   2HB   GLN  48          1HB       GLN  48   9.819   0.260  -7.950
  352   1HG   GLN  48          2HG       GLN  48   8.589  -1.690  -8.872
  353   2HG   GLN  48          1HG       GLN  48   7.147  -0.722  -9.105
  354   1HE2  GLN  48          2HE2      GLN  48   8.209  -0.128 -12.338
  355   2HE2  GLN  48          1HE2      GLN  48   6.915  -0.566 -11.306
  356    H    LYS  49           H        LYS  49  10.342  -0.627  -6.009
  357    HA   LYS  49           HA       LYS  49  10.180  -3.453  -6.026
  358   1HB   LYS  49          2HB       LYS  49  12.343  -2.080  -5.966
  359   2HB   LYS  49          1HB       LYS  49  12.044  -1.740  -4.258
  360   1HG   LYS  49          2HG       LYS  49  12.204  -4.150  -3.695
  361   2HG   LYS  49          1HG       LYS  49  12.115  -4.601  -5.365
  362   1HD   LYS  49          2HD       LYS  49  14.403  -4.877  -4.690
  363   2HD   LYS  49          1HD       LYS  49  14.340  -3.535  -5.813
  364   1HE   LYS  49          2HE       LYS  49  14.415  -1.936  -3.887
  365   2HE   LYS  49          1HE       LYS  49  14.489  -3.306  -2.778
  366   1HZ   LYS  49          3HZ       LYS  49  16.403  -3.731  -4.818
  367   2HZ   LYS  49          2HZ       LYS  49  16.648  -2.156  -4.261
  368   3HZ   LYS  49          1HZ       LYS  49  16.720  -3.456  -3.183
  369    H    GLU  50           H        GLU  50   9.644  -1.313  -3.249
  370    HA   GLU  50           HA       GLU  50   9.295  -3.128  -1.193
  371   1HB   GLU  50          2HB       GLU  50   9.299  -0.788  -0.953
  372   2HB   GLU  50          1HB       GLU  50   7.881  -0.618  -1.978
  373   1HG   GLU  50          2HG       GLU  50   6.574  -1.904  -0.127
  374   2HG   GLU  50          1HG       GLU  50   7.980  -1.646   0.883
  375    H    CYS  51           H        CYS  51   6.858  -1.926  -3.337
  376    HA   CYS  51           HA       CYS  51   4.659  -3.646  -2.714
  377   1HB   CYS  51          2HB       CYS  51   4.422  -1.606  -4.060
  378   2HB   CYS  51          1HB       CYS  51   5.490  -2.238  -5.264
  379    H    GLU  52           H        GLU  52   7.024  -3.974  -5.307
  380    HA   GLU  52           HA       GLU  52   6.234  -6.458  -6.426
  381   1HB   GLU  52          2HB       GLU  52   8.003  -4.863  -7.327
  382   2HB   GLU  52          1HB       GLU  52   8.995  -5.206  -5.932
  383   1HG   GLU  52          2HG       GLU  52   8.348  -7.351  -8.005
  384   2HG   GLU  52          1HG       GLU  52   9.810  -6.401  -8.004
  385    H    LYS  53           H        LYS  53   8.569  -5.975  -3.872
  386    HA   LYS  53           HA       LYS  53   8.815  -8.736  -3.386
  387   1HB   LYS  53          2HB       LYS  53  10.138  -6.526  -2.529
  388   2HB   LYS  53          1HB       LYS  53   9.139  -6.720  -1.113
  389   1HG   LYS  53          2HG       LYS  53  11.285  -7.960  -0.785
  390   2HG   LYS  53          1HG       LYS  53   9.977  -9.124  -0.904
  391   1HD   LYS  53          2HD       LYS  53  11.232  -8.286  -3.536
  392   2HD   LYS  53          1HD       LYS  53  12.278  -9.223  -2.508
  393   1HE   LYS  53          2HE       LYS  53  11.300 -11.094  -2.966
  394   2HE   LYS  53          1HE       LYS  53   9.660 -10.537  -2.699
  395   1HZ   LYS  53          2HZ       LYS  53  10.646  -9.325  -5.114
  396   2HZ   LYS  53          1HZ       LYS  53  10.960 -10.999  -5.124
  397   3HZ   LYS  53          3HZ       LYS  53   9.419 -10.398  -5.016
  398    H    VAL  54           H        VAL  54   6.095  -6.976  -2.674
  399    HA   VAL  54           HA       VAL  54   5.179  -8.790  -0.499
  400    HB   VAL  54           HB       VAL  54   4.235  -6.157  -1.690
  401   1HG1  VAL  54          1HG1      VAL  54   3.022  -7.799   0.633
  402   2HG1  VAL  54          3HG1      VAL  54   2.482  -6.197   0.164
  403   3HG1  VAL  54          2HG1      VAL  54   2.245  -7.551  -0.920
  404   1HG2  VAL  54          2HG2      VAL  54   5.288  -6.911   1.081
  405   2HG2  VAL  54          1HG2      VAL  54   6.171  -6.039  -0.160
  406   3HG2  VAL  54          3HG2      VAL  54   4.781  -5.299   0.595
  407    H    CYS  55           H        CYS  55   4.224  -7.665  -3.691
  408    HA   CYS  55           HA       CYS  55   2.241  -9.928  -3.894
  409   1HB   CYS  55          2HB       CYS  55   2.569  -7.333  -5.386
  410   2HB   CYS  55          1HB       CYS  55   1.542  -8.607  -6.007
  411    H    ALA  56           H        ALA  56   5.215  -8.929  -5.378
  412    HA   ALA  56           HA       ALA  56   5.042 -11.048  -7.468
  413   1HB   ALA  56          2HB       ALA  56   7.081  -8.860  -6.912
  414   2HB   ALA  56          1HB       ALA  56   7.126  -9.891  -8.306
  415   3HB   ALA  56          3HB       ALA  56   5.806  -8.736  -8.101
  416    HA   PRO  57           HA       PRO  57   6.545 -12.678  -3.635
  417   1HB   PRO  57          2HB       PRO  57   5.244 -14.981  -3.548
  418   2HB   PRO  57          1HB       PRO  57   4.329 -13.492  -3.847
  419   1HG   PRO  57          2HG       PRO  57   5.439 -15.463  -5.940
  420   2HG   PRO  57          1HG       PRO  57   3.765 -14.915  -5.776
  421   1HD   PRO  57          2HD       PRO  57   5.588 -13.668  -7.488
  422   2HD   PRO  57          1HD       PRO  57   4.219 -12.820  -6.736
  423    H    VAL  58           HN       VAL  58   8.677 -12.684  -5.056
  424    HA   VAL  58           HA       VAL  58  10.126 -15.209  -4.410
  425    HB   VAL  58           HB       VAL  58  10.520 -13.466  -6.914
  426   1HG1  VAL  58          2HG1      VAL  58  12.566 -14.626  -6.111
  427   2HG1  VAL  58          1HG1      VAL  58  11.737 -16.168  -6.142
  428   3HG1  VAL  58          3HG1      VAL  58  12.057 -15.311  -7.647
  429   1HG2  VAL  58          2HG2      VAL  58   9.337 -16.285  -6.672
  430   2HG2  VAL  58          1HG2      VAL  58   8.418 -14.848  -7.072
  431   3HG2  VAL  58          3HG2      VAL  58   9.626 -15.456  -8.196
   
  No H/Q in entry =         431
  Start of MODEL   10
    1   1H    GLU   1          1H        GLU   1  -8.883 -12.294  -1.099
    2   2H    GLU   1          3H        GLU   1 -10.257 -13.281  -1.059
    3   3H    GLU   1          2H        GLU   1 -10.050 -12.194   0.180
    4    HA   GLU   1           HA       GLU   1  -8.802 -13.652   1.351
    5   1HB   GLU   1          2HB       GLU   1  -9.628 -15.412  -1.090
    6   2HB   GLU   1          1HB       GLU   1  -9.041 -16.093   0.408
    7   1HG   GLU   1          2HG       GLU   1 -11.749 -15.828   0.037
    8   2HG   GLU   1          1HG       GLU   1 -11.149 -15.479   1.630
    9    H    THR   2           H        THR   2  -6.449 -14.366   1.468
   10    HA   THR   2           HA       THR   2  -4.142 -13.966   0.744
   11    HB   THR   2           HB       THR   2  -3.533 -15.365  -1.246
   12    HG1  THR   2           HG1      THR   2  -4.892 -15.224  -2.741
   13   1HG2  THR   2          3HG2      THR   2  -4.422 -16.788   0.687
   14   2HG2  THR   2          2HG2      THR   2  -6.005 -16.682  -0.092
   15   3HG2  THR   2          1HG2      THR   2  -4.664 -17.417  -0.930
   16    H    ASP   3           H        ASP   3  -3.190 -13.727  -1.643
   17    HA   ASP   3           HA       ASP   3  -2.038 -11.831  -2.510
   18   1HB   ASP   3          2HB       ASP   3  -4.427 -12.721  -4.124
   19   2HB   ASP   3          1HB       ASP   3  -3.024 -11.847  -4.752
   20    H    ILE   4           H        ILE   4  -2.972 -10.253  -0.801
   21    HA   ILE   4           HA       ILE   4  -4.819  -8.218  -1.051
   22    HB   ILE   4           HB       ILE   4  -3.196  -6.714  -0.053
   23   1HG1  ILE   4          2HG1      ILE   4  -0.888  -8.120   0.530
   24   2HG1  ILE   4          1HG1      ILE   4  -1.203  -8.779  -1.054
   25   1HG2  ILE   4          2HG2      ILE   4  -4.345  -8.342   1.377
   26   2HG2  ILE   4          1HG2      ILE   4  -3.121  -9.558   1.067
   27   3HG2  ILE   4          3HG2      ILE   4  -2.715  -8.111   1.973
   28   1HD1  ILE   4          3HD1      ILE   4  -1.296  -6.387  -1.959
   29   2HD1  ILE   4          2HD1      ILE   4  -0.872  -5.842  -0.350
   30   3HD1  ILE   4          1HD1      ILE   4   0.247  -6.820  -1.262
   31    H    CYS   5           H        CYS   5  -2.121  -8.629  -2.951
   32    HA   CYS   5           HA       CYS   5  -1.798  -6.284  -4.497
   33   1HB   CYS   5          2HB       CYS   5  -1.292  -9.158  -5.189
   34   2HB   CYS   5          1HB       CYS   5  -0.413  -7.777  -5.826
   35    H    LYS   6           H        LYS   6  -4.220  -8.556  -4.719
   36    HA   LYS   6           HA       LYS   6  -5.054  -7.939  -7.516
   37   1HB   LYS   6          2HB       LYS   6  -6.374  -9.863  -5.552
   38   2HB   LYS   6          1HB       LYS   6  -6.468  -9.923  -7.292
   39   1HG   LYS   6          2HG       LYS   6  -3.871 -10.334  -5.746
   40   2HG   LYS   6          1HG       LYS   6  -4.991 -11.634  -6.051
   41   1HD   LYS   6          2HD       LYS   6  -4.595 -11.515  -8.470
   42   2HD   LYS   6          1HD       LYS   6  -3.868  -9.932  -8.340
   43   1HE   LYS   6          2HE       LYS   6  -2.225 -11.877  -8.786
   44   2HE   LYS   6          1HE       LYS   6  -1.794 -10.800  -7.475
   45   1HZ   LYS   6          1HZ       LYS   6  -3.449 -12.822  -6.328
   46   2HZ   LYS   6          3HZ       LYS   6  -2.281 -13.620  -7.221
   47   3HZ   LYS   6          2HZ       LYS   6  -1.861 -12.554  -6.063
   48    H    LEU   7           H        LEU   7  -5.505  -6.610  -4.542
   49    HA   LEU   7           HA       LEU   7  -8.297  -6.022  -4.793
   50   1HB   LEU   7          2HB       LEU   7  -6.171  -4.966  -2.870
   51   2HB   LEU   7          1HB       LEU   7  -7.891  -4.709  -2.653
   52    HG   LEU   7           HG       LEU   7  -6.459  -7.428  -2.549
   53   1HD1  LEU   7          2HD1      LEU   7  -7.772  -5.706  -0.404
   54   2HD1  LEU   7          1HD1      LEU   7  -7.055  -7.288  -0.163
   55   3HD1  LEU   7          3HD1      LEU   7  -6.043  -5.933  -0.620
   56   1HD2  LEU   7          2HD2      LEU   7  -9.374  -6.657  -2.002
   57   2HD2  LEU   7          1HD2      LEU   7  -8.829  -7.570  -3.402
   58   3HD2  LEU   7          3HD2      LEU   7  -8.672  -8.254  -1.799
   59    HA   PRO   8           HA       PRO   8  -7.373  -3.004  -7.828
   60   1HB   PRO   8          2HB       PRO   8  -9.679  -1.445  -7.778
   61   2HB   PRO   8          1HB       PRO   8  -9.624  -3.082  -8.440
   62   1HG   PRO   8          2HG       PRO   8 -10.316  -2.271  -5.553
   63   2HG   PRO   8          1HG       PRO   8 -11.329  -3.210  -6.662
   64   1HD   PRO   8          2HD       PRO   8  -9.814  -4.550  -4.939
   65   2HD   PRO   8          1HD       PRO   8  -9.722  -5.089  -6.636
   66    H    LYS   9           H        LYS   9  -6.844  -0.796  -8.290
   67    HA   LYS   9           HA       LYS   9  -5.842   0.567  -5.867
   68   1HB   LYS   9          2HB       LYS   9  -4.291  -0.011  -7.671
   69   2HB   LYS   9          1HB       LYS   9  -5.141   1.045  -8.770
   70   1HG   LYS   9          2HG       LYS   9  -3.231   2.281  -7.979
   71   2HG   LYS   9          1HG       LYS   9  -4.618   3.019  -7.250
   72   1HD   LYS   9          2HD       LYS   9  -3.375   0.753  -5.678
   73   2HD   LYS   9          1HD       LYS   9  -2.395   2.192  -5.834
   74   1HE   LYS   9          2HE       LYS   9  -4.080   3.572  -4.825
   75   2HE   LYS   9          1HE       LYS   9  -5.257   2.297  -4.818
   76   1HZ   LYS   9          3HZ       LYS   9  -2.852   1.304  -3.583
   77   2HZ   LYS   9          2HZ       LYS   9  -3.292   2.802  -2.916
   78   3HZ   LYS   9          1HZ       LYS   9  -4.399   1.483  -2.978
   79    H    ASP  10           H        ASP  10  -7.348   1.884  -4.966
   80    HA   ASP  10           HA       ASP  10  -8.318   4.108  -6.661
   81   1HB   ASP  10          2HB       ASP  10 -10.284   2.884  -5.957
   82   2HB   ASP  10          1HB       ASP  10  -9.677   2.661  -4.317
   83    H    GLU  11           H        GLU  11  -8.481   6.093  -5.693
   84    HA   GLU  11           HA       GLU  11  -6.608   6.731  -3.420
   85   1HB   GLU  11          2HB       GLU  11  -7.173   8.010  -6.035
   86   2HB   GLU  11          1HB       GLU  11  -6.748   9.082  -4.724
   87   1HG   GLU  11          2HG       GLU  11  -4.683   8.619  -5.737
   88   2HG   GLU  11          1HG       GLU  11  -4.679   7.552  -4.349
   89    H    GLY  12           H        GLY  12  -9.876   6.635  -3.504
   90   1HA   GLY  12          2HA       GLY  12 -11.612   7.674  -2.331
   91   2HA   GLY  12          1HA       GLY  12 -10.388   8.272  -1.242
   92    H    THR  13           H        THR  13  -9.278  10.156  -2.145
   93    HA   THR  13           HA       THR  13  -9.441  12.245  -3.693
   94    HB   THR  13           HB       THR  13 -11.971  12.098  -4.040
   95    HG1  THR  13           HG1      THR  13 -12.270  14.332  -3.070
   96   1HG2  THR  13          2HG2      THR  13 -12.603  11.608  -1.589
   97   2HG2  THR  13          1HG2      THR  13 -12.157  13.242  -1.173
   98   3HG2  THR  13          3HG2      THR  13 -13.479  12.940  -2.285
   99    H    CYS  14           H        CYS  14  -8.108  11.481  -1.522
  100    HA   CYS  14           HA       CYS  14  -8.457  13.383   0.717
  101   1HB   CYS  14          2HB       CYS  14  -6.300  11.334   0.201
  102   2HB   CYS  14          1HB       CYS  14  -6.902  11.914   1.748
  103    H    ARG  15           H        ARG  15  -8.345  14.887  -0.754
  104    HA   ARG  15           HA       ARG  15  -7.075  16.301  -2.494
  105   1HB   ARG  15          2HB       ARG  15  -8.617  17.183  -0.354
  106   2HB   ARG  15          1HB       ARG  15  -7.064  17.755   0.138
  107   1HG   ARG  15          2HG       ARG  15  -7.841  19.617  -1.024
  108   2HG   ARG  15          1HG       ARG  15  -6.792  18.863  -2.185
  109   1HD   ARG  15          2HD       ARG  15  -9.853  18.598  -2.144
  110   2HD   ARG  15          1HD       ARG  15  -8.935  19.615  -3.242
  111    HE   ARG  15           HE       ARG  15  -7.883  17.490  -4.188
  112   1HH1  ARG  15          2HH1      ARG  15  -9.107  16.215  -1.791
  113   2HH1  ARG  15          1HH1      ARG  15 -10.216  15.104  -2.560
  114   1HH2  ARG  15          1HH2      ARG  15  -9.972  16.650  -5.516
  115   2HH2  ARG  15          2HH2      ARG  15 -10.648  15.354  -4.540
  116    H    ASP  16           H        ASP  16  -5.367  15.688   0.311
  117    HA   ASP  16           HA       ASP  16  -2.970  17.220  -0.499
  118   1HB   ASP  16          2HB       ASP  16  -3.359  15.584   2.059
  119   2HB   ASP  16          1HB       ASP  16  -2.601  17.155   1.883
  120    H    PHE  17           H        PHE  17  -3.633  15.400  -2.160
  121    HA   PHE  17           HA       PHE  17  -2.907  12.756  -2.234
  122   1HB   PHE  17          2HB       PHE  17  -2.294  14.768  -4.429
  123   2HB   PHE  17          1HB       PHE  17  -2.500  13.048  -4.651
  124    HD1  PHE  17           HD1      PHE  17  -4.816  12.220  -3.289
  125    HD2  PHE  17           HD2      PHE  17  -4.152  15.940  -5.206
  126    HE1  PHE  17           HE1      PHE  17  -7.208  12.458  -3.596
  127    HE2  PHE  17           HE2      PHE  17  -6.565  16.211  -5.538
  128    HZ   PHE  17           HZ       PHE  17  -8.126  14.450  -4.725
  129    H    ILE  18           H        ILE  18  -1.216  11.636  -1.773
  130    HA   ILE  18           HA       ILE  18   1.562  12.768  -2.222
  131    HB   ILE  18           HB       ILE  18   0.706  12.289   0.342
  132   1HG1  ILE  18          2HG1      ILE  18   3.427  11.314  -0.617
  133   2HG1  ILE  18          1HG1      ILE  18   2.968  12.966  -0.234
  134   1HG2  ILE  18          3HG2      ILE  18  -0.007   9.910  -0.330
  135   2HG2  ILE  18          2HG2      ILE  18   1.679   9.531  -0.629
  136   3HG2  ILE  18          1HG2      ILE  18   1.127   9.930   0.999
  137   1HD1  ILE  18          1HD1      ILE  18   2.378  12.375   2.048
  138   2HD1  ILE  18          3HD1      ILE  18   2.804  10.700   1.803
  139   3HD1  ILE  18          2HD1      ILE  18   4.047  11.940   1.732
  140    H    LEU  19           H        LEU  19   3.159  11.067  -2.806
  141    HA   LEU  19           HA       LEU  19   1.841   9.092  -4.565
  142   1HB   LEU  19          2HB       LEU  19   4.608  10.278  -4.424
  143   2HB   LEU  19          1HB       LEU  19   4.409   8.813  -5.317
  144    HG   LEU  19           HG       LEU  19   3.011  11.499  -5.913
  145   1HD1  LEU  19          3HD1      LEU  19   5.127  10.036  -7.451
  146   2HD1  LEU  19          2HD1      LEU  19   4.242  11.470  -7.993
  147   3HD1  LEU  19          1HD1      LEU  19   5.279  11.548  -6.590
  148   1HD2  LEU  19          3HD2      LEU  19   2.664   8.848  -7.396
  149   2HD2  LEU  19          2HD2      LEU  19   1.440   9.694  -6.499
  150   3HD2  LEU  19          1HD2      LEU  19   2.069  10.416  -7.936
  151    H    LYS  20           H        LYS  20   1.976   7.012  -4.511
  152    HA   LYS  20           HA       LYS  20   3.980   5.555  -2.896
  153   1HB   LYS  20          2HB       LYS  20   0.956   5.447  -2.492
  154   2HB   LYS  20          1HB       LYS  20   1.967   4.135  -1.917
  155   1HG   LYS  20          2HG       LYS  20   2.170   7.056  -1.046
  156   2HG   LYS  20          1HG       LYS  20   1.434   5.750  -0.144
  157   1HD   LYS  20          2HD       LYS  20   3.512   4.527   0.124
  158   2HD   LYS  20          1HD       LYS  20   4.390   5.582  -0.945
  159   1HE   LYS  20          2HE       LYS  20   3.146   6.510   1.666
  160   2HE   LYS  20          1HE       LYS  20   4.830   6.014   1.490
  161   1HZ   LYS  20          3HZ       LYS  20   4.217   7.753  -0.651
  162   2HZ   LYS  20          2HZ       LYS  20   3.665   8.516   0.744
  163   3HZ   LYS  20          1HZ       LYS  20   5.294   8.058   0.597
  164    H    TRP  21           H        TRP  21   3.625   2.996  -3.247
  165    HA   TRP  21           HA       TRP  21   3.021   2.613  -6.161
  166   1HB   TRP  21          2HB       TRP  21   5.038   1.128  -4.403
  167   2HB   TRP  21          1HB       TRP  21   4.676   0.694  -6.061
  168    HD1  TRP  21           HD1      TRP  21   6.298   3.533  -3.985
  169    HE1  TRP  21           HE1      TRP  21   7.762   4.801  -5.641
  170    HE3  TRP  21           HE3      TRP  21   5.115   1.155  -8.245
  171    HZ2  TRP  21           HZ2      TRP  21   8.449   4.802  -8.403
  172    HZ3  TRP  21           HZ3      TRP  21   6.186   1.728 -10.395
  173    HH2  TRP  21           HH2      TRP  21   7.862   3.555 -10.495
  174    H    TYR  22           H        TYR  22   2.123   0.643  -6.851
  175    HA   TYR  22           HA       TYR  22   1.065  -1.280  -4.845
  176   1HB   TYR  22          2HB       TYR  22  -1.185  -0.788  -5.132
  177   2HB   TYR  22          1HB       TYR  22  -0.563   0.829  -5.378
  178    HD1  TYR  22           HD1      TYR  22  -0.395   1.718  -7.813
  179    HD2  TYR  22           HD2      TYR  22  -2.097  -2.056  -6.863
  180    HE1  TYR  22           HE1      TYR  22  -1.517   1.588 -10.050
  181    HE2  TYR  22           HE2      TYR  22  -3.176  -2.143  -9.081
  182    HH   TYR  22           HH       TYR  22  -2.703  -0.971 -11.467
  183    H    TYR  23           H        TYR  23   0.137  -3.123  -5.826
  184    HA   TYR  23           HA       TYR  23   1.582  -3.884  -8.260
  185   1HB   TYR  23          2HB       TYR  23   1.562  -5.242  -6.216
  186   2HB   TYR  23          1HB       TYR  23  -0.170  -5.463  -6.371
  187    HD1  TYR  23           HD1      TYR  23  -1.150  -6.681  -8.245
  188    HD2  TYR  23           HD2      TYR  23   3.054  -6.390  -7.814
  189    HE1  TYR  23           HE1      TYR  23  -0.847  -8.511  -9.904
  190    HE2  TYR  23           HE2      TYR  23   3.340  -8.221  -9.451
  191    HH   TYR  23           HH       TYR  23   2.364  -9.458 -10.921
  192    H    ASP  24           H        ASP  24   0.795  -3.893 -10.103
  193    HA   ASP  24           HA       ASP  24  -2.062  -3.583 -10.732
  194   1HB   ASP  24          2HB       ASP  24  -0.598  -1.832 -11.310
  195   2HB   ASP  24          1HB       ASP  24   0.442  -2.906 -12.231
  196    HA   PRO  25           HA       PRO  25  -1.756  -7.944 -12.523
  197   1HB   PRO  25          2HB       PRO  25  -4.529  -7.729 -13.077
  198   2HB   PRO  25          1HB       PRO  25  -3.827  -8.500 -11.659
  199   1HG   PRO  25          2HG       PRO  25  -4.703  -5.561 -11.951
  200   2HG   PRO  25          1HG       PRO  25  -5.170  -6.685 -10.668
  201   1HD   PRO  25          2HD       PRO  25  -3.206  -5.014 -10.139
  202   2HD   PRO  25          1HD       PRO  25  -2.848  -6.716  -9.811
  203    H    ASN  26           H        ASN  26  -2.308  -4.839 -14.068
  204    HA   ASN  26           HA       ASN  26  -2.788  -6.126 -16.700
  205   1HB   ASN  26          2HB       ASN  26  -3.700  -3.789 -16.033
  206   2HB   ASN  26          1HB       ASN  26  -2.074  -3.178 -16.114
  207   1HD2  ASN  26          2HD2      ASN  26  -2.578  -4.271 -19.786
  208   2HD2  ASN  26          1HD2      ASN  26  -1.945  -5.328 -18.604
  209    H    THR  27           H        THR  27  -0.157  -4.531 -15.090
  210    HA   THR  27           HA       THR  27   1.808  -5.332 -17.229
  211    HB   THR  27           HB       THR  27   2.089  -2.976 -16.232
  212    HG1  THR  27           HG1      THR  27   3.870  -4.995 -16.442
  213   1HG2  THR  27          1HG2      THR  27   1.507  -3.672 -13.794
  214   2HG2  THR  27          3HG2      THR  27   3.062  -4.503 -13.781
  215   3HG2  THR  27          2HG2      THR  27   3.001  -2.777 -14.012
  216    H    LYS  28           H        LYS  28   0.738  -5.964 -14.089
  217    HA   LYS  28           HA       LYS  28   0.829  -7.589 -12.598
  218   1HB   LYS  28          2HB       LYS  28   0.360  -8.935 -14.350
  219   2HB   LYS  28          1HB       LYS  28   1.798  -8.799 -15.223
  220   1HG   LYS  28          2HG       LYS  28   1.270 -10.379 -12.695
  221   2HG   LYS  28          1HG       LYS  28   1.116 -11.040 -14.266
  222   1HD   LYS  28          2HD       LYS  28   3.650 -10.732 -12.616
  223   2HD   LYS  28          1HD       LYS  28   3.413 -11.800 -13.944
  224   1HE   LYS  28          2HE       LYS  28   4.394  -8.926 -14.069
  225   2HE   LYS  28          1HE       LYS  28   5.228 -10.398 -14.508
  226   1HZ   LYS  28          2HZ       LYS  28   2.782 -10.282 -15.900
  227   2HZ   LYS  28          1HZ       LYS  28   3.538  -8.783 -16.048
  228   3HZ   LYS  28          3HZ       LYS  28   4.336 -10.180 -16.603
  229    H    SER  29           H        SER  29   2.596  -5.629 -12.456
  230    HA   SER  29           HA       SER  29   4.661  -6.578 -10.584
  231   1HB   SER  29          2HB       SER  29   5.982  -6.221 -12.728
  232   2HB   SER  29          1HB       SER  29   5.283  -4.600 -12.900
  233    HG   SER  29           HG       SER  29   7.365  -5.367 -11.199
  234    H    CYS  30           H        CYS  30   5.475  -3.628 -10.412
  235    HA   CYS  30           HA       CYS  30   2.905  -2.574  -9.279
  236   1HB   CYS  30          2HB       CYS  30   5.688  -2.285  -8.152
  237   2HB   CYS  30          1HB       CYS  30   4.223  -1.604  -7.504
  238    H    ALA  31           H        ALA  31   2.402  -0.496  -9.303
  239    HA   ALA  31           HA       ALA  31   3.943   1.434 -10.956
  240   1HB   ALA  31          2HB       ALA  31   0.934   0.806 -11.063
  241   2HB   ALA  31          1HB       ALA  31   1.715   2.057 -12.018
  242   3HB   ALA  31          3HB       ALA  31   2.105   0.370 -12.288
  243    H    ARG  32           H        ARG  32   2.619   3.615 -10.614
  244    HA   ARG  32           HA       ARG  32   2.613   4.103  -7.729
  245   1HB   ARG  32          2HB       ARG  32   3.016   5.808 -10.098
  246   2HB   ARG  32          1HB       ARG  32   3.143   6.415  -8.420
  247   1HG   ARG  32          2HG       ARG  32   5.074   4.959  -8.030
  248   2HG   ARG  32          1HG       ARG  32   4.822   4.120  -9.537
  249   1HD   ARG  32          2HD       ARG  32   6.621   5.630  -9.986
  250   2HD   ARG  32          1HD       ARG  32   5.207   6.317 -10.762
  251    HE   ARG  32           HE       ARG  32   6.110   7.177  -7.995
  252   1HH1  ARG  32          1HH2      ARG  32   3.650   8.051  -8.805
  253   2HH1  ARG  32          2HH2      ARG  32   3.868   9.630  -9.462
  254   1HH2  ARG  32          2HH1      ARG  32   7.237   8.784  -9.833
  255   2HH2  ARG  32          1HH1      ARG  32   6.128  10.087 -10.111
  256    H    PHE  33           H        PHE  33   1.171   5.284  -6.659
  257    HA   PHE  33           HA       PHE  33  -1.281   6.319  -8.064
  258   1HB   PHE  33          2HB       PHE  33  -2.744   5.131  -6.642
  259   2HB   PHE  33          1HB       PHE  33  -1.535   3.988  -7.059
  260    HD1  PHE  33           HD1      PHE  33   0.176   3.285  -5.319
  261    HD2  PHE  33           HD2      PHE  33  -3.129   5.775  -4.391
  262    HE1  PHE  33           HE1      PHE  33   0.417   2.740  -2.935
  263    HE2  PHE  33           HE2      PHE  33  -2.900   5.237  -2.010
  264    HZ   PHE  33           HZ       PHE  33  -1.117   3.718  -1.269
  265    H    TRP  34           H        TRP  34  -2.509   7.808  -6.842
  266    HA   TRP  34           HA       TRP  34  -0.911   9.614  -5.056
  267   1HB   TRP  34          2HB       TRP  34  -3.032  10.042  -7.249
  268   2HB   TRP  34          1HB       TRP  34  -2.810  11.231  -6.063
  269    HD1  TRP  34           HD1      TRP  34  -2.154  10.605  -9.207
  270    HE1  TRP  34           HE1      TRP  34  -0.241  12.143 -10.080
  271    HE3  TRP  34           HE3      TRP  34  -0.079  11.919  -4.871
  272    HZ2  TRP  34           HZ2      TRP  34   1.847  13.738  -9.064
  273    HZ3  TRP  34           HZ3      TRP  34   1.832  13.478  -4.771
  274    HH2  TRP  34           HH2      TRP  34   2.818  14.384  -6.855
  275    H    TYR  35           H        TYR  35  -2.174   8.074  -3.209
  276    HA   TYR  35           HA       TYR  35  -4.901   9.135  -2.703
  277   1HB   TYR  35          2HB       TYR  35  -5.110   7.671  -0.890
  278   2HB   TYR  35          1HB       TYR  35  -3.992   6.818  -1.903
  279    HD1  TYR  35           HD1      TYR  35  -1.458   6.910  -1.239
  280    HD2  TYR  35           HD2      TYR  35  -4.545   8.414   1.276
  281    HE1  TYR  35           HE1      TYR  35   0.065   6.936   0.715
  282    HE2  TYR  35           HE2      TYR  35  -2.978   8.417   3.176
  283    HH   TYR  35           HH       TYR  35  -0.654   8.541   3.509
  284    H    GLY  36           H        GLY  36  -1.967   9.581  -0.728
  285   1HA   GLY  36          2HA       GLY  36  -1.314  11.790   0.243
  286   2HA   GLY  36          1HA       GLY  36  -2.948  12.350  -0.033
  287    H    GLY  37           H        GLY  37  -4.555  11.491   1.258
  288   1HA   GLY  37          2HA       GLY  37  -3.611  11.051   4.088
  289   2HA   GLY  37          1HA       GLY  37  -5.113  11.841   3.687
  290    H    CYS  38           H        CYS  38  -6.606  10.031   2.345
  291    HA   CYS  38           HA       CYS  38  -7.030   7.998   4.420
  292   1HB   CYS  38          2HB       CYS  38  -8.595   7.910   1.906
  293   2HB   CYS  38          1HB       CYS  38  -9.139   7.921   3.555
  294    H    GLY  39           H        GLY  39  -4.846   7.215   3.839
  295   1HA   GLY  39          2HA       GLY  39  -3.297   5.761   2.561
  296   2HA   GLY  39          1HA       GLY  39  -4.311   4.695   3.462
  297    H    GLY  40           H        GLY  40  -6.473   4.390   1.952
  298   1HA   GLY  40          2HA       GLY  40  -7.310   3.628  -0.208
  299   2HA   GLY  40          1HA       GLY  40  -5.654   3.578  -0.818
  300    H    ASN  41           H        ASN  41  -7.125   1.346  -1.249
  301    HA   ASN  41           HA       ASN  41  -7.318  -0.663   0.712
  302   1HB   ASN  41          2HB       ASN  41  -7.167  -2.234  -1.219
  303   2HB   ASN  41          1HB       ASN  41  -8.094  -0.817  -1.677
  304   1HD2  ASN  41          2HD2      ASN  41  -5.359  -1.656  -4.139
  305   2HD2  ASN  41          1HD2      ASN  41  -6.321  -2.730  -3.289
  306    H    GLU  42           H        GLU  42  -5.932  -2.721   0.964
  307    HA   GLU  42           HA       GLU  42  -3.252  -1.890   1.816
  308   1HB   GLU  42          2HB       GLU  42  -4.605  -4.597   1.999
  309   2HB   GLU  42          1HB       GLU  42  -3.199  -4.053   2.893
  310   1HG   GLU  42          2HG       GLU  42  -6.082  -3.082   3.228
  311   2HG   GLU  42          1HG       GLU  42  -4.917  -3.526   4.453
  312    H    ASN  43           H        ASN  43  -3.386  -1.648  -0.715
  313    HA   ASN  43           HA       ASN  43  -1.197  -3.377  -1.861
  314   1HB   ASN  43          2HB       ASN  43  -3.533  -3.850  -2.739
  315   2HB   ASN  43          1HB       ASN  43  -3.699  -2.160  -3.210
  316   1HD2  ASN  43          2HD2      ASN  43  -2.717  -3.886  -6.266
  317   2HD2  ASN  43          1HD2      ASN  43  -4.120  -3.745  -5.312
  318    H    LYS  44           H        LYS  44  -0.300  -1.812  -0.554
  319    HA   LYS  44           HA       LYS  44   0.422   0.704  -1.904
  320   1HB   LYS  44          2HB       LYS  44  -0.077   2.094   0.018
  321   2HB   LYS  44          1HB       LYS  44  -1.504   1.371  -0.705
  322   1HG   LYS  44          2HG       LYS  44  -1.805  -0.189   1.048
  323   2HG   LYS  44          1HG       LYS  44  -0.163  -0.050   1.628
  324   1HD   LYS  44          2HD       LYS  44  -1.039   1.371   3.127
  325   2HD   LYS  44          1HD       LYS  44  -0.863   2.532   1.835
  326   1HE   LYS  44          2HE       LYS  44  -3.095   2.825   2.773
  327   2HE   LYS  44          1HE       LYS  44  -3.240   2.162   1.155
  328   1HZ   LYS  44          1HZ       LYS  44  -2.972  -0.053   2.954
  329   2HZ   LYS  44          3HZ       LYS  44  -4.164   0.847   3.565
  330   3HZ   LYS  44          2HZ       LYS  44  -4.308   0.387   2.058
  331    H    PHE  45           H        PHE  45   2.459   0.676  -2.086
  332    HA   PHE  45           HA       PHE  45   4.267   0.174   0.263
  333   1HB   PHE  45          2HB       PHE  45   4.834  -0.428  -2.685
  334   2HB   PHE  45          1HB       PHE  45   5.827  -0.890  -1.322
  335    HD1  PHE  45           HD2      PHE  45   5.079  -2.662   0.210
  336    HD2  PHE  45           HD1      PHE  45   2.743  -1.565  -3.156
  337    HE1  PHE  45           HE2      PHE  45   3.746  -4.727   0.456
  338    HE2  PHE  45           HE1      PHE  45   1.413  -3.627  -2.925
  339    HZ   PHE  45           HZ       PHE  45   1.881  -5.185  -1.130
  340    H    GLY  46           H        GLY  46   6.399   1.064  -0.031
  341   1HA   GLY  46          2HA       GLY  46   6.359   3.991  -0.537
  342   2HA   GLY  46          1HA       GLY  46   7.695   3.067   0.159
  343    H    SER  47           H        SER  47   7.885   1.232  -1.928
  344    HA   SER  47           HA       SER  47   8.806   2.816  -4.307
  345   1HB   SER  47          2HB       SER  47  10.530   0.999  -2.686
  346   2HB   SER  47          1HB       SER  47  10.907   1.393  -4.385
  347    HG   SER  47           HG       SER  47  10.097   3.416  -2.576
  348    H    GLN  48           H        GLN  48   9.159   1.712  -6.317
  349    HA   GLN  48           HA       GLN  48   7.183  -0.166  -7.023
  350   1HB   GLN  48          2HB       GLN  48   8.494   1.253  -8.628
  351   2HB   GLN  48          1HB       GLN  48   9.915   0.288  -8.351
  352   1HG   GLN  48          2HG       GLN  48   7.318  -1.001  -9.367
  353   2HG   GLN  48          1HG       GLN  48   8.503  -0.361 -10.484
  354   1HE2  GLN  48          2HE2      GLN  48   8.892  -4.020  -9.742
  355   2HE2  GLN  48          1HE2      GLN  48   7.474  -3.143  -9.970
  356    H    LYS  49           H        LYS  49  10.582  -0.828  -6.691
  357    HA   LYS  49           HA       LYS  49  10.310  -3.628  -6.790
  358   1HB   LYS  49          2HB       LYS  49  12.482  -1.845  -5.478
  359   2HB   LYS  49          1HB       LYS  49  12.652  -3.589  -5.531
  360   1HG   LYS  49          2HG       LYS  49  12.222  -1.867  -8.027
  361   2HG   LYS  49          1HG       LYS  49  13.792  -2.426  -7.487
  362   1HD   LYS  49          2HD       LYS  49  13.178  -4.771  -7.780
  363   2HD   LYS  49          1HD       LYS  49  11.492  -4.418  -8.041
  364   1HE   LYS  49          2HE       LYS  49  12.173  -3.109 -10.127
  365   2HE   LYS  49          1HE       LYS  49  13.750  -3.886  -9.959
  366   1HZ   LYS  49          1HZ       LYS  49  11.713  -5.762  -9.418
  367   2HZ   LYS  49          3HZ       LYS  49  11.256  -5.119 -10.798
  368   3HZ   LYS  49          2HZ       LYS  49  12.740  -5.919 -10.681
  369    H    GLU  50           H        GLU  50  10.204  -1.585  -3.919
  370    HA   GLU  50           HA       GLU  50  10.070  -3.433  -1.878
  371   1HB   GLU  50          2HB       GLU  50  10.053  -1.069  -1.666
  372   2HB   GLU  50          1HB       GLU  50   8.421  -0.989  -2.327
  373   1HG   GLU  50          2HG       GLU  50   7.790  -2.538  -0.268
  374   2HG   GLU  50          1HG       GLU  50   9.322  -1.996   0.395
  375    H    CYS  51           H        CYS  51   7.396  -2.178  -3.717
  376    HA   CYS  51           HA       CYS  51   5.285  -3.919  -2.914
  377   1HB   CYS  51          2HB       CYS  51   4.972  -1.776  -4.103
  378   2HB   CYS  51          1HB       CYS  51   5.808  -2.393  -5.486
  379    H    GLU  52           H        GLU  52   7.226  -4.126  -5.870
  380    HA   GLU  52           HA       GLU  52   6.242  -6.630  -6.865
  381   1HB   GLU  52          2HB       GLU  52   7.806  -4.955  -8.071
  382   2HB   GLU  52          1HB       GLU  52   9.093  -5.380  -6.977
  383   1HG   GLU  52          2HG       GLU  52   8.940  -7.818  -7.835
  384   2HG   GLU  52          1HG       GLU  52   7.761  -7.276  -9.018
  385    H    LYS  53           H        LYS  53   8.920  -6.138  -4.649
  386    HA   LYS  53           HA       LYS  53   9.532  -8.854  -4.235
  387   1HB   LYS  53          2HB       LYS  53  10.729  -6.668  -3.418
  388   2HB   LYS  53          1HB       LYS  53   9.583  -6.616  -2.103
  389   1HG   LYS  53          2HG       LYS  53  11.262  -9.094  -2.627
  390   2HG   LYS  53          1HG       LYS  53  11.930  -7.756  -1.729
  391   1HD   LYS  53          2HD       LYS  53  10.564  -8.066   0.142
  392   2HD   LYS  53          1HD       LYS  53   9.225  -8.754  -0.717
  393   1HE   LYS  53          2HE       LYS  53  11.891 -10.138  -0.205
  394   2HE   LYS  53          1HE       LYS  53  10.382 -10.470   0.651
  395   1HZ   LYS  53          1HZ       LYS  53   9.824 -10.576  -2.145
  396   2HZ   LYS  53          3HZ       LYS  53  11.197 -11.385  -1.950
  397   3HZ   LYS  53          2HZ       LYS  53   9.897 -11.921  -1.192
  398    H    VAL  54           H        VAL  54   6.777  -7.144  -3.079
  399    HA   VAL  54           HA       VAL  54   5.947  -9.243  -1.169
  400    HB   VAL  54           HB       VAL  54   4.937  -6.478  -1.956
  401   1HG1  VAL  54          3HG1      VAL  54   3.740  -8.413   0.129
  402   2HG1  VAL  54          2HG1      VAL  54   3.238  -6.747  -0.093
  403   3HG1  VAL  54          1HG1      VAL  54   2.956  -7.911  -1.358
  404   1HG2  VAL  54          1HG2      VAL  54   6.073  -7.561   0.658
  405   2HG2  VAL  54          3HG2      VAL  54   6.905  -6.519  -0.495
  406   3HG2  VAL  54          2HG2      VAL  54   5.523  -5.917   0.381
  407    H    CYS  55           H        CYS  55   4.713  -7.720  -4.047
  408    HA   CYS  55           HA       CYS  55   2.543  -9.715  -4.327
  409   1HB   CYS  55          2HB       CYS  55   3.267  -7.201  -5.810
  410   2HB   CYS  55          1HB       CYS  55   1.844  -8.176  -6.148
  411    H    ALA  56           H        ALA  56   5.585  -9.253  -5.824
  412    HA   ALA  56           HA       ALA  56   4.953 -11.139  -8.066
  413   1HB   ALA  56          2HB       ALA  56   6.142  -8.919  -8.547
  414   2HB   ALA  56          1HB       ALA  56   7.427  -9.449  -7.476
  415   3HB   ALA  56          3HB       ALA  56   7.153 -10.309  -8.956
  416    HA   PRO  57           HA       PRO  57   6.177 -12.844  -4.014
  417   1HB   PRO  57          2HB       PRO  57   5.656 -15.603  -4.393
  418   2HB   PRO  57          1HB       PRO  57   4.499 -14.376  -3.879
  419   1HG   PRO  57          2HG       PRO  57   5.128 -15.252  -6.760
  420   2HG   PRO  57          1HG       PRO  57   3.536 -15.202  -5.981
  421   1HD   PRO  57          2HD       PRO  57   4.154 -13.087  -7.436
  422   2HD   PRO  57          1HD       PRO  57   3.675 -12.759  -5.747
  423    H    VAL  58           HN       VAL  58   8.456 -12.244  -5.011
  424    HA   VAL  58           HA       VAL  58  10.285 -14.538  -4.417
  425    HB   VAL  58           HB       VAL  58  10.646 -12.215  -6.380
  426   1HG1  VAL  58          1HG1      VAL  58  12.499 -14.566  -5.734
  427   2HG1  VAL  58          3HG1      VAL  58  12.797 -13.371  -6.996
  428   3HG1  VAL  58          2HG1      VAL  58  12.780 -12.887  -5.304
  429   1HG2  VAL  58          1HG2      VAL  58  10.377 -15.231  -6.869
  430   2HG2  VAL  58          3HG2      VAL  58   9.160 -14.019  -7.238
  431   3HG2  VAL  58          2HG2      VAL  58  10.675 -14.028  -8.125
   
  No H/Q in entry =         431
  Start of MODEL   11
    1   1H    GLU   1          3H        GLU   1  -9.534  -8.295   0.816
    2   2H    GLU   1          2H        GLU   1 -10.723  -8.168   2.006
    3   3H    GLU   1          1H        GLU   1  -9.424  -7.134   2.093
    4    HA   GLU   1           HA       GLU   1  -8.202  -8.630   3.255
    5   1HB   GLU   1          2HB       GLU   1 -10.932 -10.126   3.095
    6   2HB   GLU   1          1HB       GLU   1  -9.696 -10.506   4.273
    7   1HG   GLU   1          2HG       GLU   1 -11.672  -8.796   5.018
    8   2HG   GLU   1          1HG       GLU   1 -10.069  -8.321   5.493
    9    H    THR   2           H        THR   2  -6.748 -10.560   2.775
   10    HA   THR   2           HA       THR   2  -5.796 -12.213   1.297
   11    HB   THR   2           HB       THR   2  -8.299 -12.522  -0.440
   12    HG1  THR   2           HG1      THR   2  -9.565 -12.769   1.231
   13   1HG2  THR   2          3HG2      THR   2  -7.156 -14.472   1.667
   14   2HG2  THR   2          2HG2      THR   2  -8.223 -14.855   0.350
   15   3HG2  THR   2          1HG2      THR   2  -6.546 -14.496   0.017
   16    H    ASP   3           H        ASP   3  -5.506 -12.497  -1.196
   17    HA   ASP   3           HA       ASP   3  -4.133 -11.355  -2.726
   18   1HB   ASP   3          2HB       ASP   3  -7.096 -11.465  -3.183
   19   2HB   ASP   3          1HB       ASP   3  -6.084 -10.876  -4.469
   20    H    ILE   4           H        ILE   4  -3.920  -9.375  -0.946
   21    HA   ILE   4           HA       ILE   4  -4.827  -6.816  -1.393
   22    HB   ILE   4           HB       ILE   4  -2.721  -5.986  -0.566
   23   1HG1  ILE   4          2HG1      ILE   4  -1.644  -8.863  -0.796
   24   2HG1  ILE   4          1HG1      ILE   4  -1.180  -7.565  -1.879
   25   1HG2  ILE   4          3HG2      ILE   4  -4.348  -7.026   1.014
   26   2HG2  ILE   4          2HG2      ILE   4  -3.605  -8.598   0.795
   27   3HG2  ILE   4          1HG2      ILE   4  -2.722  -7.299   1.574
   28   1HD1  ILE   4          3HD1      ILE   4  -0.291  -6.231  -0.012
   29   2HD1  ILE   4          2HD1      ILE   4  -0.704  -7.491   1.133
   30   3HD1  ILE   4          1HD1      ILE   4   0.497  -7.795  -0.106
   31    H    CYS   5           H        CYS   5  -2.526  -8.451  -3.195
   32    HA   CYS   5           HA       CYS   5  -1.583  -6.401  -4.987
   33   1HB   CYS   5          2HB       CYS   5  -1.659  -9.410  -5.253
   34   2HB   CYS   5          1HB       CYS   5  -0.595  -8.346  -6.157
   35    H    LYS   6           H        LYS   6  -4.537  -7.827  -4.937
   36    HA   LYS   6           HA       LYS   6  -5.173  -7.161  -7.788
   37   1HB   LYS   6          2HB       LYS   6  -6.244  -9.266  -5.855
   38   2HB   LYS   6          1HB       LYS   6  -6.995  -8.946  -7.409
   39   1HG   LYS   6          2HG       LYS   6  -5.157  -9.880  -8.654
   40   2HG   LYS   6          1HG       LYS   6  -4.000  -9.476  -7.425
   41   1HD   LYS   6          2HD       LYS   6  -4.298 -11.937  -7.502
   42   2HD   LYS   6          1HD       LYS   6  -4.728 -11.269  -5.962
   43   1HE   LYS   6          2HE       LYS   6  -7.137 -11.548  -6.447
   44   2HE   LYS   6          1HE       LYS   6  -6.791 -12.089  -8.085
   45   1HZ   LYS   6          2HZ       LYS   6  -5.216 -13.496  -6.121
   46   2HZ   LYS   6          1HZ       LYS   6  -6.769 -13.614  -5.708
   47   3HZ   LYS   6          3HZ       LYS   6  -6.304 -14.207  -7.213
   48    H    LEU   7           H        LEU   7  -5.288  -5.638  -5.080
   49    HA   LEU   7           HA       LEU   7  -8.055  -4.807  -5.144
   50   1HB   LEU   7          2HB       LEU   7  -5.805  -4.038  -3.243
   51   2HB   LEU   7          1HB       LEU   7  -7.492  -3.617  -3.022
   52    HG   LEU   7           HG       LEU   7  -6.330  -6.435  -3.019
   53   1HD1  LEU   7          3HD1      LEU   7  -5.906  -5.025  -0.953
   54   2HD1  LEU   7          2HD1      LEU   7  -7.637  -4.748  -0.810
   55   3HD1  LEU   7          1HD1      LEU   7  -6.989  -6.366  -0.619
   56   1HD2  LEU   7          3HD2      LEU   7  -9.201  -5.490  -2.526
   57   2HD2  LEU   7          2HD2      LEU   7  -8.644  -6.411  -3.917
   58   3HD2  LEU   7          1HD2      LEU   7  -8.608  -7.135  -2.332
   59    HA   PRO   8           HA       PRO   8  -6.075  -2.325  -8.258
   60   1HB   PRO   8          2HB       PRO   8  -8.283  -1.129  -9.399
   61   2HB   PRO   8          1HB       PRO   8  -7.930  -2.857  -9.553
   62   1HG   PRO   8          2HG       PRO   8  -9.643  -1.493  -7.388
   63   2HG   PRO   8          1HG       PRO   8 -10.179  -2.733  -8.532
   64   1HD   PRO   8          2HD       PRO   8  -9.365  -3.520  -6.124
   65   2HD   PRO   8          1HD       PRO   8  -8.708  -4.411  -7.520
   66    H    LYS   9           H        LYS   9  -6.377  -0.205  -9.316
   67    HA   LYS   9           HA       LYS   9  -4.992   1.870  -8.024
   68   1HB   LYS   9          2HB       LYS   9  -7.097   2.347 -10.201
   69   2HB   LYS   9          1HB       LYS   9  -5.647   3.276  -9.942
   70   1HG   LYS   9          2HG       LYS   9  -4.271   1.248 -10.567
   71   2HG   LYS   9          1HG       LYS   9  -5.736   0.357 -10.966
   72   1HD   LYS   9          2HD       LYS   9  -6.250   2.437 -12.542
   73   2HD   LYS   9          1HD       LYS   9  -4.546   2.772 -12.390
   74   1HE   LYS   9          2HE       LYS   9  -5.810   0.271 -13.613
   75   2HE   LYS   9          1HE       LYS   9  -4.900   1.511 -14.459
   76   1HZ   LYS   9          1HZ       LYS   9  -3.346   0.424 -12.287
   77   2HZ   LYS   9          3HZ       LYS   9  -3.815  -0.805 -13.221
   78   3HZ   LYS   9          2HZ       LYS   9  -2.943   0.362 -13.910
   79    H    ASP  10           H        ASP  10  -5.804   2.083  -5.976
   80    HA   ASP  10           HA       ASP  10  -8.290   3.693  -5.652
   81   1HB   ASP  10          2HB       ASP  10  -8.835   1.677  -4.728
   82   2HB   ASP  10          1HB       ASP  10  -7.204   1.279  -4.261
   83    H    GLU  11           H        GLU  11  -7.418   5.834  -5.607
   84    HA   GLU  11           HA       GLU  11  -5.356   6.820  -3.961
   85   1HB   GLU  11          2HB       GLU  11  -7.955   8.060  -4.958
   86   2HB   GLU  11          1HB       GLU  11  -6.886   8.973  -3.902
   87   1HG   GLU  11          2HG       GLU  11  -6.371   9.418  -6.300
   88   2HG   GLU  11          1HG       GLU  11  -5.047   8.698  -5.415
   89    H    GLY  12           H        GLY  12  -8.722   6.209  -2.940
   90   1HA   GLY  12          2HA       GLY  12  -9.305   5.390  -0.721
   91   2HA   GLY  12          1HA       GLY  12  -7.827   6.101  -0.079
   92    H    THR  13           H        THR  13  -9.136   7.062   1.523
   93    HA   THR  13           HA       THR  13 -10.726   9.487   0.575
   94    HB   THR  13           HB       THR  13 -11.251   7.864   3.138
   95    HG1  THR  13           HG1      THR  13 -11.851   7.651   0.525
   96   1HG2  THR  13          3HG2      THR  13 -12.926   9.952   1.653
   97   2HG2  THR  13          2HG2      THR  13 -13.323   9.123   3.141
   98   3HG2  THR  13          1HG2      THR  13 -12.074  10.349   3.149
   99    H    CYS  14           H        CYS  14 -10.712  11.330   1.700
  100    HA   CYS  14           HA       CYS  14 -10.092  13.022   3.306
  101   1HB   CYS  14          2HB       CYS  14  -7.620  11.265   3.765
  102   2HB   CYS  14          1HB       CYS  14  -7.761  12.839   4.413
  103    H    ARG  15           H        ARG  15  -7.193  13.920   3.243
  104    HA   ARG  15           HA       ARG  15  -7.004  14.623   0.363
  105   1HB   ARG  15          2HB       ARG  15  -6.755  16.451   2.808
  106   2HB   ARG  15          1HB       ARG  15  -6.268  17.012   1.234
  107   1HG   ARG  15          2HG       ARG  15  -9.079  15.940   1.746
  108   2HG   ARG  15          1HG       ARG  15  -8.669  17.606   2.058
  109   1HD   ARG  15          2HD       ARG  15  -9.706  17.348  -0.169
  110   2HD   ARG  15          1HD       ARG  15  -8.049  17.928  -0.318
  111    HE   ARG  15           HE       ARG  15  -8.671  14.956  -0.529
  112   1HH1  ARG  15          2HH1      ARG  15  -5.938  15.745  -0.751
  113   2HH1  ARG  15          1HH1      ARG  15  -5.718  15.727  -2.463
  114   1HH2  ARG  15          1HH2      ARG  15  -9.100  16.056  -2.922
  115   2HH2  ARG  15          2HH2      ARG  15  -7.567  15.992  -3.755
  116    H    ASP  16           H        ASP  16  -5.308  12.841   2.008
  117    HA   ASP  16           HA       ASP  16  -2.598  13.921   1.633
  118   1HB   ASP  16          2HB       ASP  16  -3.178  12.998   3.795
  119   2HB   ASP  16          1HB       ASP  16  -3.872  11.568   3.045
  120    H    PHE  17           H        PHE  17  -2.877  13.917  -0.612
  121    HA   PHE  17           HA       PHE  17  -3.094  11.486  -2.229
  122   1HB   PHE  17          2HB       PHE  17  -2.113  14.263  -3.011
  123   2HB   PHE  17          1HB       PHE  17  -2.194  12.905  -4.102
  124    HD1  PHE  17           HD1      PHE  17  -4.938  12.563  -1.820
  125    HD2  PHE  17           HD2      PHE  17  -3.633  14.596  -5.328
  126    HE1  PHE  17           HE1      PHE  17  -7.248  12.892  -2.481
  127    HE2  PHE  17           HE2      PHE  17  -5.959  14.937  -5.999
  128    HZ   PHE  17           HZ       PHE  17  -7.791  14.071  -4.580
  129    H    ILE  18           H        ILE  18  -0.153  13.269  -2.333
  130    HA   ILE  18           HA       ILE  18   2.025  12.571  -2.906
  131    HB   ILE  18           HB       ILE  18   2.841  11.779  -0.817
  132   1HG1  ILE  18          2HG1      ILE  18   1.971   9.424   0.068
  133   2HG1  ILE  18          1HG1      ILE  18   1.462   9.216  -1.583
  134   1HG2  ILE  18          3HG2      ILE  18   0.690  12.663   0.163
  135   2HG2  ILE  18          2HG2      ILE  18  -0.036  11.086  -0.030
  136   3HG2  ILE  18          1HG2      ILE  18   1.287  11.300   1.054
  137   1HD1  ILE  18          2HD1      ILE  18   3.893   9.703  -2.318
  138   2HD1  ILE  18          1HD1      ILE  18   4.312   9.908  -0.634
  139   3HD1  ILE  18          3HD1      ILE  18   3.815   8.346  -1.238
  140    H    LEU  19           H        LEU  19   3.496  10.900  -3.874
  141    HA   LEU  19           HA       LEU  19   1.827   9.162  -5.638
  142   1HB   LEU  19          2HB       LEU  19   4.677  10.192  -5.788
  143   2HB   LEU  19          1HB       LEU  19   4.223   8.841  -6.776
  144    HG   LEU  19           HG       LEU  19   2.916  11.656  -6.913
  145   1HD1  LEU  19          1HD1      LEU  19   5.144  11.488  -8.029
  146   2HD1  LEU  19          3HD1      LEU  19   4.550  10.125  -8.969
  147   3HD1  LEU  19          2HD1      LEU  19   3.837  11.709  -9.174
  148   1HD2  LEU  19          3HD2      LEU  19   2.338   9.168  -8.618
  149   2HD2  LEU  19          2HD2      LEU  19   1.224   9.838  -7.443
  150   3HD2  LEU  19          1HD2      LEU  19   1.654  10.759  -8.851
  151    H    LYS  20           H        LYS  20   1.694   7.077  -5.467
  152    HA   LYS  20           HA       LYS  20   3.809   5.613  -3.924
  153   1HB   LYS  20          2HB       LYS  20   0.785   5.271  -3.766
  154   2HB   LYS  20          1HB       LYS  20   1.907   4.199  -2.956
  155   1HG   LYS  20          2HG       LYS  20   2.869   6.611  -2.042
  156   2HG   LYS  20          1HG       LYS  20   1.271   7.145  -2.483
  157   1HD   LYS  20          2HD       LYS  20   1.130   6.552  -0.148
  158   2HD   LYS  20          1HD       LYS  20   0.283   5.298  -1.038
  159   1HE   LYS  20          2HE       LYS  20   2.372   3.884  -0.982
  160   2HE   LYS  20          1HE       LYS  20   3.178   5.146  -0.069
  161   1HZ   LYS  20          2HZ       LYS  20   0.682   4.606   1.177
  162   2HZ   LYS  20          1HZ       LYS  20   1.457   3.117   0.881
  163   3HZ   LYS  20          3HZ       LYS  20   2.220   4.299   1.812
  164    H    TRP  21           H        TRP  21   3.659   3.064  -4.312
  165    HA   TRP  21           HA       TRP  21   3.222   2.624  -7.240
  166   1HB   TRP  21          2HB       TRP  21   5.040   1.142  -5.251
  167   2HB   TRP  21          1HB       TRP  21   4.821   0.662  -6.913
  168    HD1  TRP  21           HD1      TRP  21   6.399   3.546  -4.797
  169    HE1  TRP  21           HE1      TRP  21   8.072   4.630  -6.355
  170    HE3  TRP  21           HE3      TRP  21   5.513   0.978  -9.046
  171    HZ2  TRP  21           HZ2      TRP  21   9.080   4.407  -8.999
  172    HZ3  TRP  21           HZ3      TRP  21   6.857   1.352 -11.078
  173    HH2  TRP  21           HH2      TRP  21   8.669   3.067 -11.073
  174    H    TYR  22           H        TYR  22   1.809   1.042  -7.833
  175    HA   TYR  22           HA       TYR  22   0.642  -0.712  -5.696
  176   1HB   TYR  22          2HB       TYR  22  -1.389   0.396  -6.018
  177   2HB   TYR  22          1HB       TYR  22  -0.530   1.568  -6.984
  178    HD1  TYR  22           HD1      TYR  22  -0.102   0.925  -9.515
  179    HD2  TYR  22           HD2      TYR  22  -2.986  -0.808  -6.956
  180    HE1  TYR  22           HE1      TYR  22  -1.339   0.064 -11.493
  181    HE2  TYR  22           HE2      TYR  22  -4.215  -1.676  -8.934
  182    HH   TYR  22           HH       TYR  22  -3.156  -2.118 -11.621
  183    H    TYR  23           H        TYR  23   0.045  -2.758  -6.446
  184    HA   TYR  23           HA       TYR  23   1.528  -3.713  -8.808
  185   1HB   TYR  23          2HB       TYR  23   1.289  -4.951  -6.517
  186   2HB   TYR  23          1HB       TYR  23  -0.367  -5.282  -6.966
  187    HD1  TYR  23           HD1      TYR  23   3.097  -5.634  -8.314
  188    HD2  TYR  23           HD2      TYR  23  -0.792  -7.292  -8.142
  189    HE1  TYR  23           HE1      TYR  23   3.878  -7.604  -9.556
  190    HE2  TYR  23           HE2      TYR  23  -0.014  -9.272  -9.394
  191    HH   TYR  23           HH       TYR  23   3.336  -9.338 -10.551
  192    H    ASP  24           H        ASP  24   0.704  -3.981 -10.690
  193    HA   ASP  24           HA       ASP  24  -2.244  -3.723 -11.189
  194   1HB   ASP  24          2HB       ASP  24  -0.532  -1.870 -11.799
  195   2HB   ASP  24          1HB       ASP  24  -0.003  -2.910 -13.098
  196    HA   PRO  25           HA       PRO  25  -1.330  -8.234 -12.090
  197   1HB   PRO  25          2HB       PRO  25  -4.204  -8.245 -12.630
  198   2HB   PRO  25          1HB       PRO  25  -3.348  -8.989 -11.285
  199   1HG   PRO  25          2HG       PRO  25  -4.573  -6.206 -11.444
  200   2HG   PRO  25          1HG       PRO  25  -4.478  -7.281 -10.044
  201   1HD   PRO  25          2HD       PRO  25  -2.852  -5.229 -10.113
  202   2HD   PRO  25          1HD       PRO  25  -2.129  -6.792  -9.717
  203    H    ASN  26           H        ASN  26  -2.797  -5.828 -14.085
  204    HA   ASN  26           HA       ASN  26  -3.093  -7.213 -16.570
  205   1HB   ASN  26          2HB       ASN  26  -2.619  -4.241 -15.914
  206   2HB   ASN  26          1HB       ASN  26  -3.191  -4.840 -17.469
  207   1HD2  ASN  26          2HD2      ASN  26  -5.849  -4.410 -14.617
  208   2HD2  ASN  26          1HD2      ASN  26  -4.269  -3.786 -14.417
  209    H    THR  27           H        THR  27  -0.468  -5.721 -15.108
  210    HA   THR  27           HA       THR  27   1.458  -6.488 -17.327
  211    HB   THR  27           HB       THR  27   1.505  -4.005 -17.058
  212    HG1  THR  27           HG1      THR  27   3.580  -5.687 -16.498
  213   1HG2  THR  27          3HG2      THR  27   0.803  -3.956 -14.600
  214   2HG2  THR  27          2HG2      THR  27   2.399  -4.575 -14.197
  215   3HG2  THR  27          1HG2      THR  27   2.238  -3.019 -14.971
  216    H    LYS  28           H        LYS  28   0.657  -6.772 -14.086
  217    HA   LYS  28           HA       LYS  28   1.308  -7.996 -12.362
  218   1HB   LYS  28          2HB       LYS  28   2.892  -9.417 -14.576
  219   2HB   LYS  28          1HB       LYS  28   2.943  -9.993 -12.941
  220   1HG   LYS  28          2HG       LYS  28   0.231  -9.920 -13.218
  221   2HG   LYS  28          1HG       LYS  28   0.621  -9.833 -14.896
  222   1HD   LYS  28          2HD       LYS  28   0.352 -12.331 -14.191
  223   2HD   LYS  28          1HD       LYS  28   1.897 -11.977 -14.899
  224   1HE   LYS  28          2HE       LYS  28   2.009 -13.390 -12.815
  225   2HE   LYS  28          1HE       LYS  28   3.036 -11.970 -12.761
  226   1HZ   LYS  28          1HZ       LYS  28   0.402 -11.296 -11.965
  227   2HZ   LYS  28          3HZ       LYS  28   0.927 -12.571 -10.970
  228   3HZ   LYS  28          2HZ       LYS  28   1.778 -11.101 -11.060
  229    H    SER  29           H        SER  29   2.715  -5.751 -12.871
  230    HA   SER  29           HA       SER  29   5.010  -6.070 -11.075
  231   1HB   SER  29          2HB       SER  29   6.025  -5.885 -13.352
  232   2HB   SER  29          1HB       SER  29   4.933  -4.571 -13.798
  233    HG   SER  29           HG       SER  29   6.472  -3.320 -12.978
  234    H    CYS  30           H        CYS  30   5.322  -3.072 -11.181
  235    HA   CYS  30           HA       CYS  30   2.590  -2.227 -10.304
  236   1HB   CYS  30          2HB       CYS  30   5.215  -1.680  -8.921
  237   2HB   CYS  30          1HB       CYS  30   3.712  -0.887  -8.515
  238    H    ALA  31           H        ALA  31   2.106  -0.158 -10.259
  239    HA   ALA  31           HA       ALA  31   3.573   1.691 -12.079
  240   1HB   ALA  31          1HB       ALA  31   1.630   0.558 -13.247
  241   2HB   ALA  31          3HB       ALA  31   0.556   1.091 -11.979
  242   3HB   ALA  31          2HB       ALA  31   1.283   2.268 -13.057
  243    H    ARG  32           H        ARG  32   2.475   3.909 -11.661
  244    HA   ARG  32           HA       ARG  32   2.296   4.243  -8.750
  245   1HB   ARG  32          2HB       ARG  32   3.862   5.479 -10.851
  246   2HB   ARG  32          1HB       ARG  32   3.015   6.720  -9.960
  247   1HG   ARG  32          2HG       ARG  32   3.971   6.095  -7.851
  248   2HG   ARG  32          1HG       ARG  32   4.484   4.526  -8.412
  249   1HD   ARG  32          2HD       ARG  32   5.644   7.165  -9.411
  250   2HD   ARG  32          1HD       ARG  32   6.363   6.137  -8.160
  251    HE   ARG  32           HE       ARG  32   6.409   4.244  -9.851
  252   1HH1  ARG  32          2HH1      ARG  32   5.441   4.111 -11.892
  253   2HH1  ARG  32          1HH1      ARG  32   6.210   5.027 -13.151
  254   1HH2  ARG  32          1HH2      ARG  32   7.677   6.911 -10.631
  255   2HH2  ARG  32          2HH2      ARG  32   7.609   6.788 -12.362
  256    H    PHE  33           H        PHE  33   0.970   5.528  -7.802
  257    HA   PHE  33           HA       PHE  33  -1.113   7.070  -9.242
  258   1HB   PHE  33          2HB       PHE  33  -2.978   5.639  -8.605
  259   2HB   PHE  33          1HB       PHE  33  -1.740   4.497  -9.067
  260    HD1  PHE  33           HD1      PHE  33  -0.085   3.868  -6.986
  261    HD2  PHE  33           HD2      PHE  33  -4.125   5.159  -6.739
  262    HE1  PHE  33           HE1      PHE  33  -0.312   2.761  -4.826
  263    HE2  PHE  33           HE2      PHE  33  -4.368   4.087  -4.609
  264    HZ   PHE  33           HZ       PHE  33  -2.425   2.860  -3.607
  265    H    TRP  34           H        TRP  34  -2.827   7.663  -7.164
  266    HA   TRP  34           HA       TRP  34  -1.011   8.956  -5.174
  267   1HB   TRP  34          2HB       TRP  34  -3.749   9.706  -6.439
  268   2HB   TRP  34          1HB       TRP  34  -3.129  10.728  -5.256
  269    HD1  TRP  34           HD1      TRP  34  -3.445  10.178  -8.519
  270    HE1  TRP  34           HE1      TRP  34  -1.884  11.741  -9.929
  271    HE3  TRP  34           HE3      TRP  34  -0.347  11.706  -4.965
  272    HZ2  TRP  34           HZ2      TRP  34   0.348  13.429  -9.538
  273    HZ3  TRP  34           HZ3      TRP  34   1.490  13.304  -5.412
  274    HH2  TRP  34           HH2      TRP  34   1.844  14.170  -7.703
  275    H    TYR  35           H        TYR  35  -2.482   9.683  -3.232
  276    HA   TYR  35           HA       TYR  35  -3.973   7.337  -2.186
  277   1HB   TYR  35          2HB       TYR  35  -1.569   7.509  -1.339
  278   2HB   TYR  35          1HB       TYR  35  -1.969   9.066  -0.646
  279    HD1  TYR  35           HD2      TYR  35  -3.901   5.839  -0.689
  280    HD2  TYR  35           HD1      TYR  35  -2.042   8.884   1.631
  281    HE1  TYR  35           HE2      TYR  35  -4.753   4.813   1.404
  282    HE2  TYR  35           HE1      TYR  35  -2.885   7.855   3.674
  283    HH   TYR  35           HH       TYR  35  -4.637   6.353   4.392
  284    H    GLY  36           H        GLY  36  -4.932   8.143   0.070
  285   1HA   GLY  36          2HA       GLY  36  -6.460  10.700  -0.392
  286   2HA   GLY  36          1HA       GLY  36  -7.251   9.260   0.203
  287    H    GLY  37           H        GLY  37  -5.389   8.539   2.093
  288   1HA   GLY  37          2HA       GLY  37  -4.242   9.569   4.119
  289   2HA   GLY  37          1HA       GLY  37  -5.573  10.705   4.194
  290    H    CYS  38           H        CYS  38  -7.682   9.844   4.693
  291    HA   CYS  38           HA       CYS  38  -8.226   8.556   6.949
  292   1HB   CYS  38          2HB       CYS  38  -9.698   7.958   4.401
  293   2HB   CYS  38          1HB       CYS  38 -10.364   7.826   5.998
  294    H    GLY  39           H        GLY  39  -7.686   6.920   4.069
  295   1HA   GLY  39          2HA       GLY  39  -6.280   4.647   4.554
  296   2HA   GLY  39          1HA       GLY  39  -7.859   4.156   5.143
  297    H    GLY  40           H        GLY  40  -7.325   2.586   3.464
  298   1HA   GLY  40          2HA       GLY  40  -9.069   2.554   1.244
  299   2HA   GLY  40          1HA       GLY  40  -7.504   3.043   0.597
  300    H    ASN  41           H        ASN  41  -7.258   0.973  -0.486
  301    HA   ASN  41           HA       ASN  41  -7.179  -1.460   1.229
  302   1HB   ASN  41          2HB       ASN  41  -7.125  -2.697  -0.924
  303   2HB   ASN  41          1HB       ASN  41  -8.384  -1.473  -0.986
  304   1HD2  ASN  41          2HD2      ASN  41  -7.012  -0.566  -4.082
  305   2HD2  ASN  41          1HD2      ASN  41  -8.384  -1.053  -3.226
  306    H    GLU  42           H        GLU  42  -5.523  -3.050   1.034
  307    HA   GLU  42           HA       GLU  42  -2.914  -2.167   1.688
  308   1HB   GLU  42          2HB       GLU  42  -4.051  -4.888   1.010
  309   2HB   GLU  42          1HB       GLU  42  -2.470  -4.620   1.721
  310   1HG   GLU  42          2HG       GLU  42  -5.019  -3.580   3.087
  311   2HG   GLU  42          1HG       GLU  42  -4.287  -5.118   3.466
  312    H    ASN  43           H        ASN  43  -3.590  -1.478  -1.191
  313    HA   ASN  43           HA       ASN  43  -1.120  -2.697  -2.439
  314   1HB   ASN  43          2HB       ASN  43  -3.276  -3.494  -3.193
  315   2HB   ASN  43          1HB       ASN  43  -3.770  -1.896  -3.717
  316   1HD2  ASN  43          2HD2      ASN  43  -2.606  -3.091  -6.834
  317   2HD2  ASN  43          1HD2      ASN  43  -3.981  -2.762  -5.860
  318    H    LYS  44           H        LYS  44  -0.569  -0.750  -1.052
  319    HA   LYS  44           HA       LYS  44   0.168   1.429  -2.925
  320   1HB   LYS  44          2HB       LYS  44  -0.808   2.352  -0.150
  321   2HB   LYS  44          1HB       LYS  44  -0.893   3.244  -1.664
  322   1HG   LYS  44          2HG       LYS  44  -2.697   1.391  -2.315
  323   2HG   LYS  44          1HG       LYS  44  -2.705   1.070  -0.610
  324   1HD   LYS  44          2HD       LYS  44  -3.336   3.451  -0.134
  325   2HD   LYS  44          1HD       LYS  44  -3.339   3.819  -1.849
  326   1HE   LYS  44          2HE       LYS  44  -5.136   1.790  -0.462
  327   2HE   LYS  44          1HE       LYS  44  -5.617   3.369  -1.062
  328   1HZ   LYS  44          2HZ       LYS  44  -4.357   2.161  -3.235
  329   2HZ   LYS  44          1HZ       LYS  44  -5.367   0.969  -2.543
  330   3HZ   LYS  44          3HZ       LYS  44  -6.002   2.440  -2.958
  331    H    PHE  45           H        PHE  45   2.200   0.933  -3.007
  332    HA   PHE  45           HA       PHE  45   3.858   0.914  -0.549
  333   1HB   PHE  45          2HB       PHE  45   4.581   0.080  -3.409
  334   2HB   PHE  45          1HB       PHE  45   5.415  -0.315  -1.917
  335    HD1  PHE  45           HD2      PHE  45   4.020  -1.510  -0.113
  336    HD2  PHE  45           HD1      PHE  45   2.915  -1.426  -4.224
  337    HE1  PHE  45           HE2      PHE  45   2.571  -3.442   0.241
  338    HE2  PHE  45           HE1      PHE  45   1.470  -3.376  -3.871
  339    HZ   PHE  45           HZ       PHE  45   1.302  -4.391  -1.637
  340    H    GLY  46           H        GLY  46   6.039   1.684  -0.744
  341   1HA   GLY  46          2HA       GLY  46   6.167   4.545  -1.596
  342   2HA   GLY  46          1HA       GLY  46   7.322   3.695  -0.563
  343    H    SER  47           H        SER  47   7.761   1.467  -2.364
  344    HA   SER  47           HA       SER  47   8.934   2.780  -4.767
  345   1HB   SER  47          2HB       SER  47  10.819   2.909  -3.191
  346   2HB   SER  47          1HB       SER  47  10.790   1.162  -2.953
  347    HG   SER  47           HG       SER  47  11.950   2.443  -4.890
  348    H    GLN  48           H        GLN  48   9.891   1.305  -6.265
  349    HA   GLN  48           HA       GLN  48   8.118  -0.756  -7.146
  350   1HB   GLN  48          2HB       GLN  48   9.924   0.270  -8.609
  351   2HB   GLN  48          1HB       GLN  48  11.150  -0.570  -7.671
  352   1HG   GLN  48          2HG       GLN  48   9.578  -2.770  -8.334
  353   2HG   GLN  48          1HG       GLN  48   9.143  -1.729  -9.659
  354   1HE2  GLN  48          2HE2      GLN  48  12.064  -2.611 -11.336
  355   2HE2  GLN  48          1HE2      GLN  48  10.446  -2.088 -11.456
  356    H    LYS  49           H        LYS  49  10.811  -0.818  -4.974
  357    HA   LYS  49           HA       LYS  49  10.903  -3.649  -4.711
  358   1HB   LYS  49          2HB       LYS  49  12.005  -1.186  -3.272
  359   2HB   LYS  49          1HB       LYS  49  12.077  -2.671  -2.386
  360   1HG   LYS  49          2HG       LYS  49  14.185  -2.004  -3.759
  361   2HG   LYS  49          1HG       LYS  49  13.686  -3.666  -3.781
  362   1HD   LYS  49          2HD       LYS  49  12.983  -1.694  -6.048
  363   2HD   LYS  49          1HD       LYS  49  14.413  -2.695  -6.082
  364   1HE   LYS  49          2HE       LYS  49  12.441  -4.545  -5.524
  365   2HE   LYS  49          1HE       LYS  49  11.590  -3.443  -6.595
  366   1HZ   LYS  49          1HZ       LYS  49  14.127  -3.918  -7.745
  367   2HZ   LYS  49          3HZ       LYS  49  13.376  -5.411  -7.304
  368   3HZ   LYS  49          2HZ       LYS  49  12.591  -4.369  -8.269
  369    H    GLU  50           H        GLU  50   9.281  -1.411  -2.367
  370    HA   GLU  50           HA       GLU  50   8.328  -3.463  -0.772
  371   1HB   GLU  50          2HB       GLU  50   7.222  -1.004  -1.870
  372   2HB   GLU  50          1HB       GLU  50   6.297  -1.927  -0.653
  373   1HG   GLU  50          2HG       GLU  50   7.526  -0.798   0.925
  374   2HG   GLU  50          1HG       GLU  50   8.962  -1.631   0.342
  375    H    CYS  51           H        CYS  51   6.896  -2.075  -3.591
  376    HA   CYS  51           HA       CYS  51   4.664  -3.692  -4.007
  377   1HB   CYS  51          2HB       CYS  51   4.816  -2.082  -5.636
  378   2HB   CYS  51          1HB       CYS  51   6.559  -2.131  -5.689
  379    H    GLU  52           H        GLU  52   7.763  -4.257  -5.560
  380    HA   GLU  52           HA       GLU  52   7.344  -6.777  -6.602
  381   1HB   GLU  52          2HB       GLU  52   9.220  -5.182  -7.103
  382   2HB   GLU  52          1HB       GLU  52   9.874  -5.465  -5.506
  383   1HG   GLU  52          2HG       GLU  52  10.136  -8.002  -6.266
  384   2HG   GLU  52          1HG       GLU  52   9.776  -7.409  -7.868
  385    H    LYS  53           H        LYS  53   8.615  -6.036  -3.435
  386    HA   LYS  53           HA       LYS  53   8.786  -8.925  -2.963
  387   1HB   LYS  53          2HB       LYS  53  10.028  -6.515  -1.898
  388   2HB   LYS  53          1HB       LYS  53   9.096  -7.123  -0.568
  389   1HG   LYS  53          2HG       LYS  53  11.176  -8.272  -0.284
  390   2HG   LYS  53          1HG       LYS  53  10.192  -9.477  -1.066
  391   1HD   LYS  53          2HD       LYS  53  12.351  -7.742  -2.390
  392   2HD   LYS  53          1HD       LYS  53  12.406  -9.459  -2.125
  393   1HE   LYS  53          2HE       LYS  53  10.433  -9.646  -3.765
  394   2HE   LYS  53          1HE       LYS  53  10.677  -7.934  -4.142
  395   1HZ   LYS  53          3HZ       LYS  53  13.079  -9.620  -4.177
  396   2HZ   LYS  53          2HZ       LYS  53  11.998 -10.112  -5.174
  397   3HZ   LYS  53          1HZ       LYS  53  12.515  -8.521  -5.404
  398    H    VAL  54           H        VAL  54   6.420  -6.591  -2.186
  399    HA   VAL  54           HA       VAL  54   5.069  -8.248  -0.199
  400    HB   VAL  54           HB       VAL  54   4.404  -5.724  -1.790
  401   1HG1  VAL  54          2HG1      VAL  54   2.984  -6.983   0.627
  402   2HG1  VAL  54          1HG1      VAL  54   2.561  -5.435  -0.058
  403   3HG1  VAL  54          3HG1      VAL  54   2.324  -6.886  -1.001
  404   1HG2  VAL  54          2HG2      VAL  54   6.254  -5.455  -0.090
  405   2HG2  VAL  54          1HG2      VAL  54   4.842  -4.540   0.368
  406   3HG2  VAL  54          3HG2      VAL  54   5.205  -6.063   1.164
  407    H    CYS  55           H        CYS  55   4.771  -7.581  -3.636
  408    HA   CYS  55           HA       CYS  55   2.685  -9.704  -3.923
  409   1HB   CYS  55          2HB       CYS  55   3.419  -7.309  -5.634
  410   2HB   CYS  55          1HB       CYS  55   2.240  -8.512  -6.119
  411    H    ALA  56           H        ALA  56   5.893  -8.848  -5.249
  412    HA   ALA  56           HA       ALA  56   5.839 -11.358  -6.901
  413   1HB   ALA  56          1HB       ALA  56   6.413  -9.268  -8.068
  414   2HB   ALA  56          3HB       ALA  56   7.780  -9.038  -6.989
  415   3HB   ALA  56          2HB       ALA  56   7.771 -10.409  -8.044
  416    HA   PRO  57           HA       PRO  57   8.097 -12.399  -2.941
  417   1HB   PRO  57          2HB       PRO  57   7.528 -15.102  -2.946
  418   2HB   PRO  57          1HB       PRO  57   6.396 -13.855  -2.418
  419   1HG   PRO  57          2HG       PRO  57   6.677 -15.015  -5.256
  420   2HG   PRO  57          1HG       PRO  57   5.219 -15.043  -4.251
  421   1HD   PRO  57          2HD       PRO  57   5.444 -13.061  -5.990
  422   2HD   PRO  57          1HD       PRO  57   5.044 -12.573  -4.336
  423    H    VAL  58           HN       VAL  58   9.983 -11.874  -4.640
  424    HA   VAL  58           HA       VAL  58  12.020 -13.961  -4.230
  425    HB   VAL  58           HB       VAL  58  12.846 -13.510  -6.702
  426   1HG1  VAL  58          2HG1      VAL  58  11.472 -15.545  -6.106
  427   2HG1  VAL  58          1HG1      VAL  58  10.009 -14.639  -6.426
  428   3HG1  VAL  58          3HG1      VAL  58  11.120 -14.998  -7.740
  429   1HG2  VAL  58          3HG2      VAL  58  10.081 -12.250  -6.959
  430   2HG2  VAL  58          2HG2      VAL  58  11.611 -11.396  -7.053
  431   3HG2  VAL  58          1HG2      VAL  58  11.188 -12.568  -8.285
   
  No H/Q in entry =         431
  Start of MODEL   12
    1   1H    GLU   1          3H        GLU   1  -5.306 -14.637   0.049
    2   2H    GLU   1          2H        GLU   1  -5.193 -16.259   0.525
    3   3H    GLU   1          1H        GLU   1  -3.859 -15.265   0.654
    4    HA   GLU   1           HA       GLU   1  -3.185 -15.756  -1.379
    5   1HB   GLU   1          2HB       GLU   1  -5.831 -17.347  -1.515
    6   2HB   GLU   1          1HB       GLU   1  -4.545 -17.534  -2.688
    7   1HG   GLU   1          2HG       GLU   1  -4.700 -19.255  -0.567
    8   2HG   GLU   1          1HG       GLU   1  -3.118 -18.752  -1.084
    9    H    THR   2           H        THR   2  -3.246 -14.476  -3.351
   10    HA   THR   2           HA       THR   2  -4.011 -12.629  -4.645
   11    HB   THR   2           HB       THR   2  -5.029 -14.540  -5.971
   12    HG1  THR   2           HG1      THR   2  -6.962 -12.606  -5.402
   13   1HG2  THR   2          3HG2      THR   2  -7.552 -14.101  -4.285
   14   2HG2  THR   2          2HG2      THR   2  -7.390 -15.139  -5.687
   15   3HG2  THR   2          1HG2      THR   2  -6.560 -15.533  -4.199
   16    H    ASP   3           H        ASP   3  -4.087 -11.912  -2.272
   17    HA   ASP   3           HA       ASP   3  -6.633 -10.766  -1.406
   18   1HB   ASP   3          2HB       ASP   3  -3.862 -10.554  -0.046
   19   2HB   ASP   3          1HB       ASP   3  -5.439 -10.619   0.716
   20    H    ILE   4           H        ILE   4  -4.171  -8.864  -0.455
   21    HA   ILE   4           HA       ILE   4  -5.021  -6.445  -1.542
   22    HB   ILE   4           HB       ILE   4  -2.935  -5.490  -0.836
   23   1HG1  ILE   4          2HG1      ILE   4  -1.818  -8.359  -0.633
   24   2HG1  ILE   4          1HG1      ILE   4  -1.340  -7.194  -1.856
   25   1HG2  ILE   4          2HG2      ILE   4  -4.491  -6.221   0.945
   26   2HG2  ILE   4          1HG2      ILE   4  -3.754  -7.806   1.018
   27   3HG2  ILE   4          3HG2      ILE   4  -2.864  -6.396   1.520
   28   1HD1  ILE   4          3HD1      ILE   4  -0.484  -5.647  -0.124
   29   2HD1  ILE   4          2HD1      ILE   4  -0.891  -6.800   1.134
   30   3HD1  ILE   4          1HD1      ILE   4   0.317  -7.205  -0.067
   31    H    CYS   5           H        CYS   5  -2.737  -8.593  -2.782
   32    HA   CYS   5           HA       CYS   5  -1.784  -7.203  -5.105
   33   1HB   CYS   5          2HB       CYS   5  -1.880 -10.139  -4.472
   34   2HB   CYS   5          1HB       CYS   5  -0.741  -9.369  -5.564
   35    H    LYS   6           H        LYS   6  -4.798  -8.288  -4.602
   36    HA   LYS   6           HA       LYS   6  -5.364  -8.890  -7.456
   37   1HB   LYS   6          2HB       LYS   6  -5.906 -10.796  -6.190
   38   2HB   LYS   6          1HB       LYS   6  -6.161  -9.917  -4.758
   39   1HG   LYS   6          2HG       LYS   6  -8.234 -10.455  -4.963
   40   2HG   LYS   6          1HG       LYS   6  -8.320  -8.971  -5.826
   41   1HD   LYS   6          2HD       LYS   6  -8.512 -11.816  -6.896
   42   2HD   LYS   6          1HD       LYS   6  -9.536 -10.451  -7.233
   43   1HE   LYS   6          2HE       LYS   6  -8.414 -10.721  -9.253
   44   2HE   LYS   6          1HE       LYS   6  -7.510  -9.428  -8.472
   45   1HZ   LYS   6          3HZ       LYS   6  -6.540 -11.917  -7.505
   46   2HZ   LYS   6          2HZ       LYS   6  -6.541 -12.027  -9.176
   47   3HZ   LYS   6          1HZ       LYS   6  -5.686 -10.782  -8.394
   48    H    LEU   7           H        LEU   7  -5.424  -6.420  -5.344
   49    HA   LEU   7           HA       LEU   7  -7.985  -5.339  -5.946
   50   1HB   LEU   7          2HB       LEU   7  -5.551  -4.218  -4.518
   51   2HB   LEU   7          1HB       LEU   7  -7.081  -3.395  -4.521
   52    HG   LEU   7           HG       LEU   7  -6.548  -6.161  -3.293
   53   1HD1  LEU   7          3HD1      LEU   7  -7.108  -3.422  -2.080
   54   2HD1  LEU   7          2HD1      LEU   7  -6.878  -4.902  -1.165
   55   3HD1  LEU   7          1HD1      LEU   7  -5.549  -4.219  -2.081
   56   1HD2  LEU   7          2HD2      LEU   7  -9.021  -4.356  -3.206
   57   2HD2  LEU   7          1HD2      LEU   7  -8.922  -5.857  -4.115
   58   3HD2  LEU   7          3HD2      LEU   7  -8.833  -5.889  -2.369
   59    HA   PRO   8           HA       PRO   8  -6.363  -1.926  -8.650
   60   1HB   PRO   8          2HB       PRO   8  -8.329  -0.137  -8.350
   61   2HB   PRO   8          1HB       PRO   8  -8.700  -1.680  -9.131
   62   1HG   PRO   8          2HG       PRO   8  -9.011  -1.004  -6.143
   63   2HG   PRO   8          1HG       PRO   8 -10.286  -1.513  -7.253
   64   1HD   PRO   8          2HD       PRO   8  -8.944  -3.343  -5.726
   65   2HD   PRO   8          1HD       PRO   8  -9.437  -3.768  -7.381
   66    H    LYS   9           H        LYS   9  -6.533   0.450  -8.027
   67    HA   LYS   9           HA       LYS   9  -4.530   0.875  -5.872
   68   1HB   LYS   9          2HB       LYS   9  -5.824   2.789  -7.848
   69   2HB   LYS   9          1HB       LYS   9  -4.427   3.187  -6.857
   70   1HG   LYS   9          2HG       LYS   9  -3.159   1.352  -7.904
   71   2HG   LYS   9          1HG       LYS   9  -4.473   0.957  -8.977
   72   1HD   LYS   9          2HD       LYS   9  -2.765   3.494  -8.938
   73   2HD   LYS   9          1HD       LYS   9  -2.824   2.305 -10.202
   74   1HE   LYS   9          2HE       LYS   9  -3.987   4.090 -11.092
   75   2HE   LYS   9          1HE       LYS   9  -5.212   2.910 -10.621
   76   1HZ   LYS   9          3HZ       LYS   9  -4.675   4.518  -8.324
   77   2HZ   LYS   9          2HZ       LYS   9  -5.004   5.573  -9.562
   78   3HZ   LYS   9          1HZ       LYS   9  -6.050   4.452  -9.148
   79    H    ASP  10           H        ASP  10  -4.884   2.952  -4.501
   80    HA   ASP  10           HA       ASP  10  -7.682   2.972  -3.404
   81   1HB   ASP  10          2HB       ASP  10  -5.666   1.840  -2.074
   82   2HB   ASP  10          1HB       ASP  10  -5.100   3.482  -1.906
   83    H    GLU  11           H        GLU  11  -7.306   4.706  -5.351
   84    HA   GLU  11           HA       GLU  11  -6.263   7.142  -5.241
   85   1HB   GLU  11          2HB       GLU  11  -9.337   6.991  -5.562
   86   2HB   GLU  11          1HB       GLU  11  -8.231   8.001  -6.464
   87   1HG   GLU  11          2HG       GLU  11  -8.610   4.985  -6.797
   88   2HG   GLU  11          1HG       GLU  11  -8.935   6.242  -7.963
   89    H    GLY  12           H        GLY  12  -8.815   6.484  -2.996
   90   1HA   GLY  12          2HA       GLY  12  -8.255   7.839  -0.837
   91   2HA   GLY  12          1HA       GLY  12  -8.397   9.236  -1.857
   92    H    THR  13           H        THR  13  -9.372   9.386   0.256
   93    HA   THR  13           HA       THR  13 -12.364   9.266   0.198
   94    HB   THR  13           HB       THR  13 -12.191   9.374   2.785
   95    HG1  THR  13           HG1      THR  13 -10.201  10.112   3.242
   96   1HG2  THR  13          3HG2      THR  13 -12.039   7.026   1.643
   97   2HG2  THR  13          2HG2      THR  13 -10.301   7.244   1.669
   98   3HG2  THR  13          1HG2      THR  13 -11.192   7.174   3.178
   99    H    CYS  14           H        CYS  14  -9.541  10.899   1.189
  100    HA   CYS  14           HA       CYS  14 -10.760  13.584   1.476
  101   1HB   CYS  14          2HB       CYS  14  -8.076  12.458   2.358
  102   2HB   CYS  14          1HB       CYS  14  -8.775  13.952   2.885
  103    H    ARG  15           H        ARG  15  -8.430  15.172   0.960
  104    HA   ARG  15           HA       ARG  15  -7.788  14.483  -1.916
  105   1HB   ARG  15          2HB       ARG  15  -8.722  17.194  -0.853
  106   2HB   ARG  15          1HB       ARG  15  -8.029  16.986  -2.437
  107   1HG   ARG  15          2HG       ARG  15 -10.283  16.766  -3.022
  108   2HG   ARG  15          1HG       ARG  15  -9.888  15.091  -2.719
  109   1HD   ARG  15          2HD       ARG  15 -10.650  15.610  -0.231
  110   2HD   ARG  15          1HD       ARG  15 -11.383  17.035  -0.943
  111    HE   ARG  15           HE       ARG  15 -12.705  15.485  -2.490
  112   1HH1  ARG  15          1HH2      ARG  15 -10.877  13.265  -2.039
  113   2HH1  ARG  15          2HH2      ARG  15 -11.882  12.203  -1.130
  114   1HH2  ARG  15          2HH1      ARG  15 -14.035  14.725  -0.329
  115   2HH2  ARG  15          1HH1      ARG  15 -13.596  13.053  -0.073
  116    H    ASP  16           H        ASP  16  -6.153  14.328   0.495
  117    HA   ASP  16           HA       ASP  16  -3.949  16.190   0.008
  118   1HB   ASP  16          2HB       ASP  16  -4.421  14.062   2.175
  119   2HB   ASP  16          1HB       ASP  16  -3.496  15.544   2.351
  120    H    PHE  17           H        PHE  17  -4.760  13.880  -1.504
  121    HA   PHE  17           HA       PHE  17  -3.944  11.742  -2.276
  122   1HB   PHE  17          2HB       PHE  17  -3.033  14.159  -3.742
  123   2HB   PHE  17          1HB       PHE  17  -2.900  12.548  -4.432
  124    HD1  PHE  17           HD2      PHE  17  -4.939  11.103  -4.626
  125    HD2  PHE  17           HD1      PHE  17  -5.186  15.230  -3.604
  126    HE1  PHE  17           HE2      PHE  17  -7.315  11.097  -5.212
  127    HE2  PHE  17           HE1      PHE  17  -7.566  15.229  -4.196
  128    HZ   PHE  17           HZ       PHE  17  -8.638  13.165  -5.003
  129    H    ILE  18           H        ILE  18  -1.028  13.297  -1.550
  130    HA   ILE  18           HA       ILE  18   1.279  12.513  -1.969
  131    HB   ILE  18           HB       ILE  18   1.840  10.846  -0.241
  132   1HG1  ILE  18          2HG1      ILE  18  -0.343   9.960   1.108
  133   2HG1  ILE  18          1HG1      ILE  18  -0.995   9.974  -0.510
  134   1HG2  ILE  18          2HG2      ILE  18  -0.362  12.636   0.801
  135   2HG2  ILE  18          1HG2      ILE  18   0.816  11.788   1.769
  136   3HG2  ILE  18          3HG2      ILE  18   1.344  13.042   0.674
  137   1HD1  ILE  18          3HD1      ILE  18   1.669   8.661   0.213
  138   2HD1  ILE  18          2HD1      ILE  18   0.152   7.803   0.035
  139   3HD1  ILE  18          1HD1      ILE  18   0.874   8.588  -1.351
  140    H    LEU  19           H        LEU  19   2.794  11.164  -3.005
  141    HA   LEU  19           HA       LEU  19   1.569   9.173  -4.823
  142   1HB   LEU  19          2HB       LEU  19   2.827  10.168  -6.347
  143   2HB   LEU  19          1HB       LEU  19   3.417  11.276  -5.167
  144    HG   LEU  19           HG       LEU  19   4.810   8.565  -5.397
  145   1HD1  LEU  19          3HD1      LEU  19   5.508  10.994  -7.160
  146   2HD1  LEU  19          2HD1      LEU  19   6.431   9.515  -7.074
  147   3HD1  LEU  19          1HD1      LEU  19   4.824   9.499  -7.773
  148   1HD2  LEU  19          1HD2      LEU  19   5.941  11.330  -4.803
  149   2HD2  LEU  19          3HD2      LEU  19   5.578  10.087  -3.604
  150   3HD2  LEU  19          2HD2      LEU  19   6.835   9.831  -4.787
  151    H    LYS  20           H        LYS  20   1.999   7.137  -4.981
  152    HA   LYS  20           HA       LYS  20   4.253   5.859  -3.524
  153   1HB   LYS  20          2HB       LYS  20   1.306   5.252  -3.011
  154   2HB   LYS  20          1HB       LYS  20   2.530   4.059  -2.648
  155   1HG   LYS  20          2HG       LYS  20   3.600   6.266  -1.362
  156   2HG   LYS  20          1HG       LYS  20   1.883   6.627  -1.265
  157   1HD   LYS  20          2HD       LYS  20   1.400   4.425  -0.256
  158   2HD   LYS  20          1HD       LYS  20   3.055   3.907  -0.517
  159   1HE   LYS  20          2HE       LYS  20   3.836   5.492   1.162
  160   2HE   LYS  20          1HE       LYS  20   2.190   6.080   1.422
  161   1HZ   LYS  20          1HZ       LYS  20   2.226   3.208   1.425
  162   2HZ   LYS  20          3HZ       LYS  20   3.362   3.736   2.538
  163   3HZ   LYS  20          2HZ       LYS  20   1.755   4.221   2.702
  164    H    TRP  21           H        TRP  21   4.058   3.280  -3.884
  165    HA   TRP  21           HA       TRP  21   3.644   2.852  -6.820
  166   1HB   TRP  21          2HB       TRP  21   5.496   1.362  -4.863
  167   2HB   TRP  21          1HB       TRP  21   5.243   0.874  -6.527
  168    HD1  TRP  21           HD1      TRP  21   6.772   3.792  -4.459
  169    HE1  TRP  21           HE1      TRP  21   8.427   4.919  -6.039
  170    HE3  TRP  21           HE3      TRP  21   5.940   1.159  -8.661
  171    HZ2  TRP  21           HZ2      TRP  21   9.416   4.690  -8.704
  172    HZ3  TRP  21           HZ3      TRP  21   7.228   1.572 -10.725
  173    HH2  TRP  21           HH2      TRP  21   8.980   3.336 -10.770
  174    H    TYR  22           H        TYR  22   2.291   1.136  -7.425
  175    HA   TYR  22           HA       TYR  22   1.182  -0.611  -5.242
  176   1HB   TYR  22          2HB       TYR  22  -1.040  -0.113  -5.781
  177   2HB   TYR  22          1HB       TYR  22  -0.301   1.429  -6.128
  178    HD1  TYR  22           HD1      TYR  22   0.441   1.871  -8.616
  179    HD2  TYR  22           HD2      TYR  22  -2.170  -1.272  -7.459
  180    HE1  TYR  22           HE1      TYR  22  -0.446   1.663 -10.946
  181    HE2  TYR  22           HE2      TYR  22  -3.013  -1.445  -9.775
  182    HH   TYR  22           HH       TYR  22  -1.977  -0.634 -12.246
  183    H    TYR  23           H        TYR  23   0.197  -2.485  -6.009
  184    HA   TYR  23           HA       TYR  23   1.652  -3.755  -8.210
  185   1HB   TYR  23          2HB       TYR  23   1.337  -4.771  -5.919
  186   2HB   TYR  23          1HB       TYR  23  -0.386  -4.810  -6.231
  187    HD1  TYR  23           HD1      TYR  23   2.807  -5.977  -7.789
  188    HD2  TYR  23           HD2      TYR  23  -1.347  -6.635  -7.221
  189    HE1  TYR  23           HE1      TYR  23   2.971  -8.145  -8.962
  190    HE2  TYR  23           HE2      TYR  23  -1.164  -8.791  -8.386
  191    HH   TYR  23           HH       TYR  23   1.487 -10.329  -8.667
  192    H    ASP  24           H        ASP  24   0.854  -4.021 -10.085
  193    HA   ASP  24           HA       ASP  24  -1.962  -3.397 -10.728
  194   1HB   ASP  24          2HB       ASP  24  -0.228  -2.070 -11.667
  195   2HB   ASP  24          1HB       ASP  24   0.549  -3.485 -12.390
  196    HA   PRO  25           HA       PRO  25  -1.910  -8.045 -11.082
  197   1HB   PRO  25          2HB       PRO  25  -4.704  -8.299 -11.040
  198   2HB   PRO  25          1HB       PRO  25  -3.702  -8.180  -9.582
  199   1HG   PRO  25          2HG       PRO  25  -5.037  -5.827 -11.072
  200   2HG   PRO  25          1HG       PRO  25  -5.231  -6.260  -9.370
  201   1HD   PRO  25          2HD       PRO  25  -3.447  -4.424  -9.963
  202   2HD   PRO  25          1HD       PRO  25  -2.909  -5.713  -8.871
  203    H    ASN  26           H        ASN  26  -2.558  -5.665 -13.332
  204    HA   ASN  26           HA       ASN  26  -3.587  -7.533 -15.444
  205   1HB   ASN  26          2HB       ASN  26  -3.070  -4.485 -15.471
  206   2HB   ASN  26          1HB       ASN  26  -3.694  -5.386 -16.826
  207   1HD2  ASN  26          2HD2      ASN  26  -6.379  -5.570 -13.912
  208   2HD2  ASN  26          1HD2      ASN  26  -4.873  -6.343 -13.671
  209    H    THR  27           H        THR  27  -0.821  -5.666 -14.579
  210    HA   THR  27           HA       THR  27   0.879  -6.645 -16.845
  211    HB   THR  27           HB       THR  27   2.628  -5.081 -15.802
  212    HG1  THR  27           HG1      THR  27   0.606  -4.224 -14.055
  213   1HG2  THR  27          1HG2      THR  27  -0.125  -3.714 -15.809
  214   2HG2  THR  27          3HG2      THR  27   1.434  -2.936 -15.938
  215   3HG2  THR  27          2HG2      THR  27   0.837  -3.938 -17.251
  216    H    LYS  28           H        LYS  28   0.722  -6.592 -13.407
  217    HA   LYS  28           HA       LYS  28   1.011  -8.090 -11.815
  218   1HB   LYS  28          2HB       LYS  28   1.621  -9.829 -14.126
  219   2HB   LYS  28          1HB       LYS  28   3.013  -9.940 -13.120
  220   1HG   LYS  28          2HG       LYS  28   1.981 -11.073 -11.483
  221   2HG   LYS  28          1HG       LYS  28   0.542 -10.131 -11.499
  222   1HD   LYS  28          2HD       LYS  28   1.220 -12.513 -13.369
  223   2HD   LYS  28          1HD       LYS  28  -0.168 -12.391 -12.336
  224   1HE   LYS  28          2HE       LYS  28   0.272 -11.310 -15.088
  225   2HE   LYS  28          1HE       LYS  28  -1.195 -11.931 -14.347
  226   1HZ   LYS  28          3HZ       LYS  28  -0.424  -9.586 -12.975
  227   2HZ   LYS  28          2HZ       LYS  28  -0.400  -9.206 -14.598
  228   3HZ   LYS  28          1HZ       LYS  28  -1.831  -9.767 -13.894
  229    H    SER  29           H        SER  29   2.605  -5.937 -12.348
  230    HA   SER  29           HA       SER  29   4.778  -6.561 -10.449
  231   1HB   SER  29          2HB       SER  29   5.760  -6.403 -12.813
  232   2HB   SER  29          1HB       SER  29   5.177  -4.726 -12.922
  233    HG   SER  29           HG       SER  29   6.979  -4.241 -11.593
  234    H    CYS  30           H        CYS  30   5.535  -3.627 -10.603
  235    HA   CYS  30           HA       CYS  30   2.999  -2.408  -9.623
  236   1HB   CYS  30          2HB       CYS  30   5.685  -2.321  -8.290
  237   2HB   CYS  30          1HB       CYS  30   4.219  -1.594  -7.704
  238    H    ALA  31           H        ALA  31   2.704  -0.252  -9.731
  239    HA   ALA  31           HA       ALA  31   4.623   1.413 -11.289
  240   1HB   ALA  31          2HB       ALA  31   1.606   1.074 -11.789
  241   2HB   ALA  31          1HB       ALA  31   2.629   2.192 -12.679
  242   3HB   ALA  31          3HB       ALA  31   2.876   0.460 -12.818
  243    H    ARG  32           H        ARG  32   3.542   3.735 -11.202
  244    HA   ARG  32           HA       ARG  32   3.115   4.320  -8.350
  245   1HB   ARG  32          2HB       ARG  32   4.570   5.600 -10.526
  246   2HB   ARG  32          1HB       ARG  32   3.780   6.751  -9.441
  247   1HG   ARG  32          2HG       ARG  32   4.911   5.619  -7.479
  248   2HG   ARG  32          1HG       ARG  32   5.611   4.451  -8.563
  249   1HD   ARG  32          2HD       ARG  32   6.240   7.444  -8.529
  250   2HD   ARG  32          1HD       ARG  32   7.266   6.152  -7.934
  251    HE   ARG  32           HE       ARG  32   7.168   5.172 -10.333
  252   1HH1  ARG  32          2HH1      ARG  32   5.338   7.269 -11.063
  253   2HH1  ARG  32          1HH1      ARG  32   6.277   8.293 -12.109
  254   1HH2  ARG  32          1HH2      ARG  32   9.099   6.761 -10.760
  255   2HH2  ARG  32          2HH2      ARG  32   8.627   7.968 -11.906
  256    H    PHE  33           H        PHE  33   1.684   5.692  -7.497
  257    HA   PHE  33           HA       PHE  33  -0.167   7.201  -9.229
  258   1HB   PHE  33          2HB       PHE  33  -2.071   5.836  -8.991
  259   2HB   PHE  33          1HB       PHE  33  -0.824   4.620  -8.967
  260    HD1  PHE  33           HD2      PHE  33  -0.124   3.597  -6.776
  261    HD2  PHE  33           HD1      PHE  33  -3.490   6.190  -7.074
  262    HE1  PHE  33           HE2      PHE  33  -0.993   2.747  -4.629
  263    HE2  PHE  33           HE1      PHE  33  -4.344   5.358  -4.985
  264    HZ   PHE  33           HZ       PHE  33  -3.089   3.618  -3.722
  265    H    TRP  34           H        TRP  34  -1.999   8.113  -7.870
  266    HA   TRP  34           HA       TRP  34  -0.829   9.345  -5.426
  267   1HB   TRP  34          2HB       TRP  34  -2.921  10.297  -7.516
  268   2HB   TRP  34          1HB       TRP  34  -2.643  11.229  -6.137
  269    HD1  TRP  34           HD1      TRP  34  -1.673  10.684  -9.304
  270    HE1  TRP  34           HE1      TRP  34   0.453  12.114  -9.890
  271    HE3  TRP  34           HE3      TRP  34  -0.290  12.002  -4.741
  272    HZ2  TRP  34           HZ2      TRP  34   2.415  13.618  -8.557
  273    HZ3  TRP  34           HZ3      TRP  34   1.671  13.484  -4.345
  274    HH2  TRP  34           HH2      TRP  34   3.032  14.277  -6.247
  275    H    TYR  35           H        TYR  35  -1.989   9.080  -3.464
  276    HA   TYR  35           HA       TYR  35  -4.781   8.031  -3.595
  277   1HB   TYR  35          2HB       TYR  35  -4.023   5.954  -3.039
  278   2HB   TYR  35          1HB       TYR  35  -2.376   6.550  -3.011
  279    HD1  TYR  35           HD1      TYR  35  -5.419   6.092  -0.891
  280    HD2  TYR  35           HD2      TYR  35  -1.302   6.928  -1.102
  281    HE1  TYR  35           HE1      TYR  35  -5.289   5.870   1.537
  282    HE2  TYR  35           HE2      TYR  35  -1.152   6.717   1.419
  283    HH   TYR  35           HH       TYR  35  -4.011   6.608   3.243
  284    H    GLY  36           H        GLY  36  -5.799   9.797  -2.763
  285   1HA   GLY  36          2HA       GLY  36  -4.906  11.059  -0.172
  286   2HA   GLY  36          1HA       GLY  36  -6.251  11.631  -1.179
  287    H    GLY  37           H        GLY  37  -5.345   8.630   0.336
  288   1HA   GLY  37          2HA       GLY  37  -8.169   8.258   1.346
  289   2HA   GLY  37          1HA       GLY  37  -7.066   6.953   1.048
  290    H    CYS  38           H        CYS  38  -8.498   8.865   3.226
  291    HA   CYS  38           HA       CYS  38  -6.620   8.728   5.467
  292   1HB   CYS  38          2HB       CYS  38  -9.567   9.484   5.274
  293   2HB   CYS  38          1HB       CYS  38  -8.585   9.712   6.675
  294    H    GLY  39           H        GLY  39  -6.727   6.315   4.658
  295   1HA   GLY  39          2HA       GLY  39  -6.832   4.283   6.214
  296   2HA   GLY  39          1HA       GLY  39  -8.487   4.736   6.548
  297    H    GLY  40           H        GLY  40  -6.707   4.222   3.533
  298   1HA   GLY  40          2HA       GLY  40  -8.847   2.271   2.678
  299   2HA   GLY  40          1HA       GLY  40  -8.025   3.313   1.545
  300    H    ASN  41           H        ASN  41  -8.221   0.548   1.436
  301    HA   ASN  41           HA       ASN  41  -6.742  -1.451   2.112
  302   1HB   ASN  41          2HB       ASN  41  -6.741  -2.286  -0.105
  303   2HB   ASN  41          1HB       ASN  41  -8.028  -1.101  -0.075
  304   1HD2  ASN  41          2HD2      ASN  41  -6.681   0.482  -2.833
  305   2HD2  ASN  41          1HD2      ASN  41  -8.057   0.104  -1.929
  306    H    GLU  42           H        GLU  42  -4.980  -2.689   1.292
  307    HA   GLU  42           HA       GLU  42  -2.424  -1.495   2.058
  308   1HB   GLU  42          2HB       GLU  42  -3.061  -4.342   1.354
  309   2HB   GLU  42          1HB       GLU  42  -1.741  -3.791   2.358
  310   1HG   GLU  42          2HG       GLU  42  -3.506  -4.645   3.890
  311   2HG   GLU  42          1HG       GLU  42  -3.567  -2.908   4.033
  312    H    ASN  43           H        ASN  43  -3.425  -1.051  -0.855
  313    HA   ASN  43           HA       ASN  43  -0.995  -2.163  -2.241
  314   1HB   ASN  43          2HB       ASN  43  -3.348  -2.761  -2.843
  315   2HB   ASN  43          1HB       ASN  43  -3.627  -1.125  -3.413
  316   1HD2  ASN  43          2HD2      ASN  43  -2.642  -2.791  -6.442
  317   2HD2  ASN  43          1HD2      ASN  43  -4.022  -2.356  -5.535
  318    H    LYS  44           H        LYS  44  -0.199  -0.377  -0.903
  319    HA   LYS  44           HA       LYS  44   0.583   1.872  -2.678
  320   1HB   LYS  44          2HB       LYS  44  -0.146   3.664  -1.159
  321   2HB   LYS  44          1HB       LYS  44  -1.449   2.596  -1.541
  322   1HG   LYS  44          2HG       LYS  44  -0.181   1.462   0.816
  323   2HG   LYS  44          1HG       LYS  44  -0.416   3.171   1.139
  324   1HD   LYS  44          2HD       LYS  44  -2.548   1.351  -0.028
  325   2HD   LYS  44          1HD       LYS  44  -2.352   1.594   1.694
  326   1HE   LYS  44          2HE       LYS  44  -2.779   3.941   1.486
  327   2HE   LYS  44          1HE       LYS  44  -2.854   3.866  -0.281
  328   1HZ   LYS  44          3HZ       LYS  44  -4.531   1.872   0.906
  329   2HZ   LYS  44          2HZ       LYS  44  -4.967   3.325   1.501
  330   3HZ   LYS  44          1HZ       LYS  44  -4.964   3.140  -0.125
  331    H    PHE  45           H        PHE  45   2.667   1.101  -2.652
  332    HA   PHE  45           HA       PHE  45   4.314   0.986  -0.175
  333   1HB   PHE  45          2HB       PHE  45   4.833   0.004  -3.023
  334   2HB   PHE  45          1HB       PHE  45   5.816  -0.346  -1.632
  335    HD1  PHE  45           HD2      PHE  45   4.867  -1.845   0.202
  336    HD2  PHE  45           HD1      PHE  45   2.733  -1.087  -3.406
  337    HE1  PHE  45           HE2      PHE  45   3.404  -3.753   0.655
  338    HE2  PHE  45           HE1      PHE  45   1.283  -3.000  -2.944
  339    HZ   PHE  45           HZ       PHE  45   1.576  -4.310  -0.932
  340    H    GLY  46           H        GLY  46   6.595   1.546  -0.431
  341   1HA   GLY  46          2HA       GLY  46   6.876   4.417  -1.154
  342   2HA   GLY  46          1HA       GLY  46   8.076   3.452  -0.304
  343    H    SER  47           H        SER  47   8.177   1.405  -2.344
  344    HA   SER  47           HA       SER  47   9.217   2.846  -4.734
  345   1HB   SER  47          2HB       SER  47  10.880   0.687  -3.482
  346   2HB   SER  47          1HB       SER  47  11.382   1.838  -4.708
  347    HG   SER  47           HG       SER  47  10.518   3.286  -2.687
  348    H    GLN  48           H        GLN  48   9.342   1.433  -6.643
  349    HA   GLN  48           HA       GLN  48   7.283  -0.447  -6.879
  350   1HB   GLN  48          2HB       GLN  48   8.899   0.458  -8.767
  351   2HB   GLN  48          1HB       GLN  48   9.979  -0.864  -8.332
  352   1HG   GLN  48          2HG       GLN  48   8.096  -2.539  -8.706
  353   2HG   GLN  48          1HG       GLN  48   7.039  -1.200  -9.099
  354   1HE2  GLN  48          2HE2      GLN  48   9.209  -1.084 -12.212
  355   2HE2  GLN  48          1HE2      GLN  48   9.499  -0.147 -10.815
  356    H    LYS  49           H        LYS  49  10.542  -1.052  -5.844
  357    HA   LYS  49           HA       LYS  49  10.533  -3.820  -5.559
  358   1HB   LYS  49          2HB       LYS  49  12.529  -3.447  -4.176
  359   2HB   LYS  49          1HB       LYS  49  12.485  -2.012  -5.155
  360   1HG   LYS  49          2HG       LYS  49  11.019  -1.141  -2.956
  361   2HG   LYS  49          1HG       LYS  49  11.910  -2.404  -2.186
  362   1HD   LYS  49          2HD       LYS  49  14.082  -1.445  -3.057
  363   2HD   LYS  49          1HD       LYS  49  13.219  -0.089  -3.721
  364   1HE   LYS  49          2HE       LYS  49  13.523  -0.777  -0.785
  365   2HE   LYS  49          1HE       LYS  49  14.267   0.582  -1.630
  366   1HZ   LYS  49          1HZ       LYS  49  11.379   0.428  -1.875
  367   2HZ   LYS  49          3HZ       LYS  49  11.772   0.523  -0.374
  368   3HZ   LYS  49          2HZ       LYS  49  12.222   1.786  -1.453
  369    H    GLU  50           H        GLU  50   9.281  -1.604  -3.062
  370    HA   GLU  50           HA       GLU  50   8.800  -3.536  -1.121
  371   1HB   GLU  50          2HB       GLU  50   7.651  -1.022  -1.917
  372   2HB   GLU  50          1HB       GLU  50   6.682  -2.041  -0.811
  373   1HG   GLU  50          2HG       GLU  50   7.983  -0.693   0.660
  374   2HG   GLU  50          1HG       GLU  50   8.826  -2.216   0.582
  375    H    CYS  51           H        CYS  51   6.597  -2.263  -3.381
  376    HA   CYS  51           HA       CYS  51   4.430  -4.049  -3.177
  377   1HB   CYS  51          2HB       CYS  51   4.573  -1.860  -4.382
  378   2HB   CYS  51          1HB       CYS  51   5.539  -2.625  -5.612
  379    H    GLU  52           H        GLU  52   7.222  -4.300  -5.429
  380    HA   GLU  52           HA       GLU  52   6.485  -6.870  -6.491
  381   1HB   GLU  52          2HB       GLU  52   8.114  -5.249  -7.504
  382   2HB   GLU  52          1HB       GLU  52   9.127  -5.323  -6.094
  383   1HG   GLU  52          2HG       GLU  52   8.821  -8.038  -7.216
  384   2HG   GLU  52          1HG       GLU  52   9.277  -6.938  -8.477
  385    H    LYS  53           H        LYS  53   8.598  -6.168  -3.725
  386    HA   LYS  53           HA       LYS  53   8.841  -9.011  -3.270
  387   1HB   LYS  53          2HB       LYS  53  10.208  -6.646  -2.353
  388   2HB   LYS  53          1HB       LYS  53   9.367  -7.175  -0.929
  389   1HG   LYS  53          2HG       LYS  53  11.369  -8.410  -0.697
  390   2HG   LYS  53          1HG       LYS  53  10.321  -9.580  -1.447
  391   1HD   LYS  53          2HD       LYS  53  12.801  -8.301  -2.549
  392   2HD   LYS  53          1HD       LYS  53  12.111  -9.868  -2.910
  393   1HE   LYS  53          2HE       LYS  53  10.373  -8.613  -4.335
  394   2HE   LYS  53          1HE       LYS  53  11.348  -7.199  -4.082
  395   1HZ   LYS  53          2HZ       LYS  53  13.061  -9.342  -4.984
  396   2HZ   LYS  53          1HZ       LYS  53  11.684  -9.255  -5.941
  397   3HZ   LYS  53          3HZ       LYS  53  12.523  -7.899  -5.827
  398    H    VAL  54           H        VAL  54   6.336  -6.939  -2.573
  399    HA   VAL  54           HA       VAL  54   5.307  -8.596  -0.343
  400    HB   VAL  54           HB       VAL  54   4.505  -5.941  -1.690
  401   1HG1  VAL  54          1HG1      VAL  54   3.300  -7.343   0.757
  402   2HG1  VAL  54          3HG1      VAL  54   2.850  -5.751   0.186
  403   3HG1  VAL  54          2HG1      VAL  54   2.492  -7.155  -0.794
  404   1HG2  VAL  54          3HG2      VAL  54   6.528  -5.912  -0.136
  405   2HG2  VAL  54          2HG2      VAL  54   5.212  -4.960   0.492
  406   3HG2  VAL  54          1HG2      VAL  54   5.543  -6.553   1.149
  407    H    CYS  55           H        CYS  55   4.558  -7.812  -3.684
  408    HA   CYS  55           HA       CYS  55   2.505  -9.979  -3.814
  409   1HB   CYS  55          2HB       CYS  55   2.762  -7.390  -5.318
  410   2HB   CYS  55          1HB       CYS  55   1.610  -8.622  -5.758
  411    H    ALA  56           H        ALA  56   5.610  -9.382  -5.308
  412    HA   ALA  56           HA       ALA  56   4.887 -11.056  -7.662
  413   1HB   ALA  56          3HB       ALA  56   6.152  -8.947  -7.983
  414   2HB   ALA  56          2HB       ALA  56   7.384  -9.526  -6.900
  415   3HB   ALA  56          1HB       ALA  56   7.185 -10.300  -8.440
  416    HA   PRO  57           HA       PRO  57   7.474 -14.689  -6.630
  417   1HB   PRO  57          2HB       PRO  57   8.321 -15.381  -9.110
  418   2HB   PRO  57          1HB       PRO  57   6.624 -15.607  -8.651
  419   1HG   PRO  57          2HG       PRO  57   7.876 -13.158 -10.041
  420   2HG   PRO  57          1HG       PRO  57   6.553 -14.146 -10.676
  421   1HD   PRO  57          2HD       PRO  57   5.978 -11.908  -9.331
  422   2HD   PRO  57          1HD       PRO  57   5.027 -13.360  -8.936
  423    H    VAL  58           HN       VAL  58   8.974 -13.471  -5.402
  424    HA   VAL  58           HA       VAL  58  11.312 -12.378  -6.831
  425    HB   VAL  58           HB       VAL  58  11.396 -10.767  -4.783
  426   1HG1  VAL  58          1HG1      VAL  58  10.120 -10.225  -7.011
  427   2HG1  VAL  58          3HG1      VAL  58   8.726 -10.974  -6.290
  428   3HG1  VAL  58          2HG1      VAL  58   9.296  -9.470  -5.655
  429   1HG2  VAL  58          3HG2      VAL  58  10.230 -12.342  -3.306
  430   2HG2  VAL  58          2HG2      VAL  58   9.449 -10.787  -3.251
  431   3HG2  VAL  58          1HG2      VAL  58   8.726 -12.085  -4.161
   
  No H/Q in entry =         431
  Start of MODEL   13
    1   1H    GLU   1          2H        GLU   1  -2.838 -14.089  -0.295
    2   2H    GLU   1          1H        GLU   1  -3.311 -15.498   0.512
    3   3H    GLU   1          3H        GLU   1  -1.846 -15.460  -0.244
    4    HA   GLU   1           HA       GLU   1  -2.706 -16.223  -2.122
    5   1HB   GLU   1          2HB       GLU   1  -5.205 -16.274  -0.367
    6   2HB   GLU   1          1HB       GLU   1  -5.128 -17.062  -1.927
    7   1HG   GLU   1          2HG       GLU   1  -4.424 -18.490   0.271
    8   2HG   GLU   1          1HG       GLU   1  -3.454 -18.687  -1.171
    9    H    THR   2           H        THR   2  -2.287 -14.124  -3.226
   10    HA   THR   2           HA       THR   2  -2.914 -12.286  -4.629
   11    HB   THR   2           HB       THR   2  -4.522 -12.806  -6.402
   12    HG1  THR   2           HG1      THR   2  -5.836 -14.011  -4.288
   13   1HG2  THR   2          1HG2      THR   2  -2.799 -14.671  -6.261
   14   2HG2  THR   2          3HG2      THR   2  -3.930 -15.543  -5.224
   15   3HG2  THR   2          2HG2      THR   2  -4.368 -15.173  -6.876
   16    H    ASP   3           H        ASP   3  -3.370 -11.699  -2.337
   17    HA   ASP   3           HA       ASP   3  -6.072 -10.645  -1.757
   18   1HB   ASP   3          2HB       ASP   3  -4.647 -10.062   0.421
   19   2HB   ASP   3          1HB       ASP   3  -4.988 -11.748   0.080
   20    H    ILE   4           H        ILE   4  -3.500  -8.719  -0.801
   21    HA   ILE   4           HA       ILE   4  -4.656  -6.330  -1.685
   22    HB   ILE   4           HB       ILE   4  -2.708  -5.118  -1.127
   23   1HG1  ILE   4          2HG1      ILE   4  -1.159  -6.118  -2.900
   24   2HG1  ILE   4          1HG1      ILE   4  -0.438  -5.668  -1.382
   25   1HG2  ILE   4          2HG2      ILE   4  -3.364  -6.492   0.804
   26   2HG2  ILE   4          1HG2      ILE   4  -2.256  -7.749   0.333
   27   3HG2  ILE   4          3HG2      ILE   4  -1.633  -6.185   0.810
   28   1HD1  ILE   4          2HD1      ILE   4  -1.228  -8.538  -2.052
   29   2HD1  ILE   4          1HD1      ILE   4   0.392  -7.878  -2.171
   30   3HD1  ILE   4          3HD1      ILE   4  -0.396  -8.000  -0.617
   31    H    CYS   5           H        CYS   5  -2.603  -8.399  -3.362
   32    HA   CYS   5           HA       CYS   5  -1.864  -7.107  -5.741
   33   1HB   CYS   5          2HB       CYS   5  -2.664  -9.957  -5.259
   34   2HB   CYS   5          1HB       CYS   5  -1.754  -9.428  -6.657
   35    H    LYS   6           H        LYS   6  -4.948  -8.059  -4.788
   36    HA   LYS   6           HA       LYS   6  -6.160  -7.826  -7.471
   37   1HB   LYS   6          2HB       LYS   6  -6.647  -9.920  -6.750
   38   2HB   LYS   6          1HB       LYS   6  -6.237  -9.586  -5.093
   39   1HG   LYS   6          2HG       LYS   6  -8.380  -8.417  -4.817
   40   2HG   LYS   6          1HG       LYS   6  -8.908  -9.033  -6.372
   41   1HD   LYS   6          2HD       LYS   6  -7.977 -10.553  -3.827
   42   2HD   LYS   6          1HD       LYS   6  -9.603 -10.614  -4.433
   43   1HE   LYS   6          2HE       LYS   6  -7.153 -11.828  -5.827
   44   2HE   LYS   6          1HE       LYS   6  -8.285 -12.727  -4.840
   45   1HZ   LYS   6          3HZ       LYS   6  -9.701 -11.094  -6.656
   46   2HZ   LYS   6          2HZ       LYS   6  -8.522 -11.946  -7.534
   47   3HZ   LYS   6          1HZ       LYS   6  -9.662 -12.806  -6.614
   48    H    LEU   7           H        LEU   7  -5.565  -5.682  -5.207
   49    HA   LEU   7           HA       LEU   7  -8.196  -4.474  -5.173
   50   1HB   LEU   7          2HB       LEU   7  -5.761  -3.803  -3.493
   51   2HB   LEU   7          1HB       LEU   7  -7.361  -3.172  -3.209
   52    HG   LEU   7           HG       LEU   7  -6.517  -6.089  -2.985
   53   1HD1  LEU   7          3HD1      LEU   7  -5.743  -4.524  -1.141
   54   2HD1  LEU   7          2HD1      LEU   7  -7.379  -3.987  -0.913
   55   3HD1  LEU   7          1HD1      LEU   7  -6.951  -5.633  -0.534
   56   1HD2  LEU   7          2HD2      LEU   7  -9.188  -4.734  -2.357
   57   2HD2  LEU   7          1HD2      LEU   7  -8.918  -5.852  -3.690
   58   3HD2  LEU   7          3HD2      LEU   7  -8.796  -6.411  -2.034
   59    HA   PRO   8           HA       PRO   8  -6.435  -1.780  -8.261
   60   1HB   PRO   8          2HB       PRO   8  -8.577  -0.203  -8.810
   61   2HB   PRO   8          1HB       PRO   8  -8.639  -1.946  -9.111
   62   1HG   PRO   8          2HG       PRO   8  -9.529  -0.479  -6.547
   63   2HG   PRO   8          1HG       PRO   8 -10.542  -1.488  -7.587
   64   1HD   PRO   8          2HD       PRO   8  -9.323  -2.570  -5.417
   65   2HD   PRO   8          1HD       PRO   8  -9.372  -3.512  -6.928
   66    H    LYS   9           H        LYS   9  -6.509   0.537  -8.821
   67    HA   LYS   9           HA       LYS   9  -4.656   2.073  -7.366
   68   1HB   LYS   9          2HB       LYS   9  -5.572   2.508  -9.764
   69   2HB   LYS   9          1HB       LYS   9  -6.930   3.320  -8.998
   70   1HG   LYS   9          2HG       LYS   9  -5.397   5.000  -8.005
   71   2HG   LYS   9          1HG       LYS   9  -4.020   4.102  -8.607
   72   1HD   LYS   9          2HD       LYS   9  -4.352   5.851 -10.228
   73   2HD   LYS   9          1HD       LYS   9  -4.948   4.404 -10.987
   74   1HE   LYS   9          2HE       LYS   9  -6.811   5.664 -11.449
   75   2HE   LYS   9          1HE       LYS   9  -7.263   5.321  -9.784
   76   1HZ   LYS   9          2HZ       LYS   9  -5.391   7.428  -9.729
   77   2HZ   LYS   9          1HZ       LYS   9  -6.569   7.900 -10.811
   78   3HZ   LYS   9          3HZ       LYS   9  -6.909   7.496  -9.218
   79    H    ASP  10           H        ASP  10  -4.841   2.354  -5.205
   80    HA   ASP  10           HA       ASP  10  -7.318   3.367  -3.963
   81   1HB   ASP  10          2HB       ASP  10  -6.216   1.365  -3.187
   82   2HB   ASP  10          1HB       ASP  10  -4.731   2.210  -2.859
   83    H    GLU  11           H        GLU  11  -7.055   5.476  -4.916
   84    HA   GLU  11           HA       GLU  11  -5.090   7.311  -3.622
   85   1HB   GLU  11          2HB       GLU  11  -7.275   7.727  -5.678
   86   2HB   GLU  11          1HB       GLU  11  -6.161   8.981  -5.142
   87   1HG   GLU  11          2HG       GLU  11  -4.179   7.565  -5.843
   88   2HG   GLU  11          1HG       GLU  11  -5.248   6.297  -6.366
   89    H    GLY  12           H        GLY  12  -6.366   6.242  -2.041
   90   1HA   GLY  12          2HA       GLY  12  -8.038   6.055  -0.216
   91   2HA   GLY  12          1HA       GLY  12  -7.014   7.376   0.253
   92    H    THR  13           H        THR  13  -8.772   7.747   1.659
   93    HA   THR  13           HA       THR  13 -11.245   8.897   0.494
   94    HB   THR  13           HB       THR  13 -11.849   9.247   3.021
   95    HG1  THR  13           HG1      THR  13  -9.840   9.516   3.941
   96   1HG2  THR  13          3HG2      THR  13 -12.073   6.852   2.001
   97   2HG2  THR  13          2HG2      THR  13 -10.438   6.576   2.582
   98   3HG2  THR  13          1HG2      THR  13 -11.718   6.915   3.725
   99    H    CYS  14           H        CYS  14 -11.406  11.110   2.503
  100    HA   CYS  14           HA       CYS  14 -11.036  13.472   2.186
  101   1HB   CYS  14          2HB       CYS  14  -8.232  12.448   2.779
  102   2HB   CYS  14          1HB       CYS  14  -8.933  13.931   3.345
  103    H    ARG  15           H        ARG  15  -8.174  14.373   1.218
  104    HA   ARG  15           HA       ARG  15  -7.923  13.421  -1.510
  105   1HB   ARG  15          2HB       ARG  15 -10.154  14.962  -1.500
  106   2HB   ARG  15          1HB       ARG  15  -9.009  16.284  -1.399
  107   1HG   ARG  15          2HG       ARG  15  -9.196  16.062  -3.758
  108   2HG   ARG  15          1HG       ARG  15  -7.781  15.101  -3.440
  109   1HD   ARG  15          2HD       ARG  15 -10.582  14.169  -4.164
  110   2HD   ARG  15          1HD       ARG  15  -9.068  13.668  -4.884
  111    HE   ARG  15           HE       ARG  15  -9.939  12.899  -2.109
  112   1HH1  ARG  15          1HH2      ARG  15  -8.138  11.839  -4.817
  113   2HH1  ARG  15          2HH2      ARG  15  -7.930  10.329  -3.972
  114   1HH2  ARG  15          2HH1      ARG  15  -9.554  11.196  -1.234
  115   2HH2  ARG  15          1HH1      ARG  15  -8.727   9.966  -2.093
  116    H    ASP  16           H        ASP  16  -6.123  13.492   0.103
  117    HA   ASP  16           HA       ASP  16  -4.316  15.809  -0.280
  118   1HB   ASP  16          2HB       ASP  16  -3.401  13.952   1.751
  119   2HB   ASP  16          1HB       ASP  16  -4.175  15.497   2.011
  120    H    PHE  17           H        PHE  17  -4.650  14.050  -2.421
  121    HA   PHE  17           HA       PHE  17  -3.253  11.999  -3.239
  122   1HB   PHE  17          2HB       PHE  17  -2.841  14.646  -4.566
  123   2HB   PHE  17          1HB       PHE  17  -2.497  13.135  -5.304
  124    HD1  PHE  17           HD2      PHE  17  -4.460  11.402  -5.522
  125    HD2  PHE  17           HD1      PHE  17  -4.985  15.563  -4.880
  126    HE1  PHE  17           HE2      PHE  17  -6.662  11.237  -6.520
  127    HE2  PHE  17           HE1      PHE  17  -7.239  15.428  -5.875
  128    HZ   PHE  17           HZ       PHE  17  -8.083  13.260  -6.710
  129    H    ILE  18           H        ILE  18  -1.475  11.132  -2.318
  130    HA   ILE  18           HA       ILE  18   1.151  12.599  -2.779
  131    HB   ILE  18           HB       ILE  18   0.553  11.976  -0.301
  132   1HG1  ILE  18          2HG1      ILE  18   2.910  12.379  -1.473
  133   2HG1  ILE  18          1HG1      ILE  18   2.804  11.867   0.189
  134   1HG2  ILE  18          2HG2      ILE  18   1.248   9.149  -1.265
  135   2HG2  ILE  18          1HG2      ILE  18   1.061   9.662   0.409
  136   3HG2  ILE  18          3HG2      ILE  18  -0.299   9.690  -0.665
  137   1HD1  ILE  18          1HD1      ILE  18   3.397   9.976  -2.157
  138   2HD1  ILE  18          3HD1      ILE  18   4.573  10.624  -1.028
  139   3HD1  ILE  18          2HD1      ILE  18   3.317   9.541  -0.457
  140    H    LEU  19           H        LEU  19   2.854  11.238  -3.787
  141    HA   LEU  19           HA       LEU  19   1.615   9.230  -5.454
  142   1HB   LEU  19          2HB       LEU  19   2.780  11.009  -6.484
  143   2HB   LEU  19          1HB       LEU  19   4.170  10.815  -5.464
  144    HG   LEU  19           HG       LEU  19   4.696   8.696  -6.421
  145   1HD1  LEU  19          1HD1      LEU  19   2.270   9.118  -8.287
  146   2HD1  LEU  19          3HD1      LEU  19   3.427   7.827  -8.488
  147   3HD1  LEU  19          2HD1      LEU  19   2.396   7.845  -7.094
  148   1HD2  LEU  19          3HD2      LEU  19   5.569  10.685  -7.667
  149   2HD2  LEU  19          2HD2      LEU  19   5.220   9.426  -8.826
  150   3HD2  LEU  19          1HD2      LEU  19   4.096  10.745  -8.619
  151    H    LYS  20           H        LYS  20   1.723   7.098  -5.118
  152    HA   LYS  20           HA       LYS  20   4.157   5.872  -3.889
  153   1HB   LYS  20          2HB       LYS  20   1.566   6.210  -2.569
  154   2HB   LYS  20          1HB       LYS  20   1.837   4.499  -2.792
  155   1HG   LYS  20          2HG       LYS  20   2.940   4.873  -0.736
  156   2HG   LYS  20          1HG       LYS  20   4.261   4.963  -1.868
  157   1HD   LYS  20          2HD       LYS  20   3.410   7.643  -1.786
  158   2HD   LYS  20          1HD       LYS  20   3.090   7.110  -0.169
  159   1HE   LYS  20          2HE       LYS  20   5.328   7.940  -0.094
  160   2HE   LYS  20          1HE       LYS  20   5.487   6.193  -0.051
  161   1HZ   LYS  20          1HZ       LYS  20   5.272   7.205  -2.735
  162   2HZ   LYS  20          3HZ       LYS  20   6.564   7.918  -1.997
  163   3HZ   LYS  20          2HZ       LYS  20   6.523   6.226  -2.127
  164    H    TRP  21           H        TRP  21   3.514   3.174  -3.742
  165    HA   TRP  21           HA       TRP  21   2.954   2.591  -6.617
  166   1HB   TRP  21          2HB       TRP  21   4.867   1.171  -4.714
  167   2HB   TRP  21          1HB       TRP  21   4.543   0.665  -6.362
  168    HD1  TRP  21           HD1      TRP  21   6.126   3.577  -4.368
  169    HE1  TRP  21           HE1      TRP  21   7.673   4.760  -6.118
  170    HE3  TRP  21           HE3      TRP  21   5.043   0.996  -8.536
  171    HZ2  TRP  21           HZ2      TRP  21   8.449   4.574  -8.810
  172    HZ3  TRP  21           HZ3      TRP  21   6.162   1.447 -10.688
  173    HH2  TRP  21           HH2      TRP  21   7.876   3.233 -10.849
  174    H    TYR  22           H        TYR  22   1.904   0.689  -7.177
  175    HA   TYR  22           HA       TYR  22   0.735  -1.001  -5.016
  176   1HB   TYR  22          2HB       TYR  22  -1.482  -0.297  -5.422
  177   2HB   TYR  22          1HB       TYR  22  -0.723   1.186  -5.920
  178    HD1  TYR  22           HD1      TYR  22   0.048   1.090  -8.646
  179    HD2  TYR  22           HD2      TYR  22  -3.001  -1.168  -6.739
  180    HE1  TYR  22           HE1      TYR  22  -1.101   0.703 -10.850
  181    HE2  TYR  22           HE2      TYR  22  -4.089  -1.537  -8.936
  182    HH   TYR  22           HH       TYR  22  -2.721  -0.915 -11.839
  183    H    TYR  23           H        TYR  23  -0.020  -3.004  -5.823
  184    HA   TYR  23           HA       TYR  23   1.492  -3.903  -8.179
  185   1HB   TYR  23          2HB       TYR  23   1.326  -5.172  -6.059
  186   2HB   TYR  23          1HB       TYR  23  -0.402  -5.344  -6.336
  187    HD1  TYR  23           HD2      TYR  23   2.914  -6.334  -7.603
  188    HD2  TYR  23           HD1      TYR  23  -1.286  -6.783  -8.054
  189    HE1  TYR  23           HE2      TYR  23   3.266  -8.267  -9.092
  190    HE2  TYR  23           HE1      TYR  23  -0.908  -8.721  -9.554
  191    HH   TYR  23           HH       TYR  23   2.358  -9.764 -10.317
  192    H    ASP  24           H        ASP  24   0.749  -4.121 -10.108
  193    HA   ASP  24           HA       ASP  24  -2.103  -3.741 -10.798
  194   1HB   ASP  24          2HB       ASP  24  -0.555  -2.020 -11.319
  195   2HB   ASP  24          1HB       ASP  24   0.489  -3.115 -12.223
  196    HA   PRO  25           HA       PRO  25  -1.973  -8.246 -12.058
  197   1HB   PRO  25          2HB       PRO  25  -4.720  -7.738 -12.784
  198   2HB   PRO  25          1HB       PRO  25  -4.126  -8.594 -11.363
  199   1HG   PRO  25          2HG       PRO  25  -4.730  -5.595 -11.639
  200   2HG   PRO  25          1HG       PRO  25  -5.185  -6.673 -10.311
  201   1HD   PRO  25          2HD       PRO  25  -3.094  -5.147  -9.889
  202   2HD   PRO  25          1HD       PRO  25  -2.847  -6.876  -9.596
  203    H    ASN  26           H        ASN  26  -2.830  -5.350 -13.899
  204    HA   ASN  26           HA       ASN  26  -3.053  -6.610 -16.495
  205   1HB   ASN  26          2HB       ASN  26  -2.062  -3.721 -16.097
  206   2HB   ASN  26          1HB       ASN  26  -3.076  -4.369 -17.359
  207   1HD2  ASN  26          2HD2      ASN  26  -4.823  -2.933 -14.161
  208   2HD2  ASN  26          1HD2      ASN  26  -3.147  -2.757 -14.403
  209    H    THR  27           H        THR  27  -0.446  -5.298 -14.677
  210    HA   THR  27           HA       THR  27   1.625  -6.013 -16.751
  211    HB   THR  27           HB       THR  27   3.285  -4.898 -15.190
  212    HG1  THR  27           HG1      THR  27   1.039  -4.295 -13.551
  213   1HG2  THR  27          1HG2      THR  27   0.696  -3.261 -15.224
  214   2HG2  THR  27          3HG2      THR  27   2.322  -2.663 -14.988
  215   3HG2  THR  27          2HG2      THR  27   1.835  -3.297 -16.550
  216    H    LYS  28           H        LYS  28   1.064  -6.487 -13.429
  217    HA   LYS  28           HA       LYS  28   0.935  -8.218 -12.045
  218   1HB   LYS  28          2HB       LYS  28   2.515  -9.777 -14.263
  219   2HB   LYS  28          1HB       LYS  28   2.188 -10.467 -12.705
  220   1HG   LYS  28          2HG       LYS  28  -0.058 -10.626 -12.923
  221   2HG   LYS  28          1HG       LYS  28  -0.198  -9.226 -13.921
  222   1HD   LYS  28          2HD       LYS  28   0.902 -11.963 -14.912
  223   2HD   LYS  28          1HD       LYS  28  -0.747 -11.477 -15.185
  224   1HE   LYS  28          2HE       LYS  28   1.766 -10.190 -16.303
  225   2HE   LYS  28          1HE       LYS  28   0.527 -11.058 -17.189
  226   1HZ   LYS  28          2HZ       LYS  28  -0.776  -9.004 -15.701
  227   2HZ   LYS  28          1HZ       LYS  28   0.545  -8.327 -16.458
  228   3HZ   LYS  28          3HZ       LYS  28  -0.633  -9.047 -17.371
  229    H    SER  29           H        SER  29   2.611  -6.119 -12.263
  230    HA   SER  29           HA       SER  29   4.683  -6.831 -10.379
  231   1HB   SER  29          2HB       SER  29   6.267  -5.277 -11.766
  232   2HB   SER  29          1HB       SER  29   5.759  -6.704 -12.644
  233    HG   SER  29           HG       SER  29   3.790  -4.931 -13.103
  234    H    CYS  30           H        CYS  30   5.449  -3.930 -10.156
  235    HA   CYS  30           HA       CYS  30   2.849  -2.792  -9.207
  236   1HB   CYS  30          2HB       CYS  30   5.617  -2.425  -8.080
  237   2HB   CYS  30          1HB       CYS  30   4.145  -1.692  -7.502
  238    H    ALA  31           H        ALA  31   2.306  -0.737  -9.474
  239    HA   ALA  31           HA       ALA  31   3.907   1.014 -11.271
  240   1HB   ALA  31          3HB       ALA  31   0.908   0.390 -11.323
  241   2HB   ALA  31          2HB       ALA  31   1.671   1.552 -12.396
  242   3HB   ALA  31          1HB       ALA  31   2.071  -0.154 -12.498
  243    H    ARG  32           H        ARG  32   2.716   3.192 -11.205
  244    HA   ARG  32           HA       ARG  32   2.608   4.043  -8.398
  245   1HB   ARG  32          2HB       ARG  32   3.807   5.089 -10.819
  246   2HB   ARG  32          1HB       ARG  32   2.957   6.355  -9.941
  247   1HG   ARG  32          2HG       ARG  32   4.255   5.673  -7.851
  248   2HG   ARG  32          1HG       ARG  32   5.019   4.407  -8.768
  249   1HD   ARG  32          2HD       ARG  32   5.362   7.410  -9.276
  250   2HD   ARG  32          1HD       ARG  32   6.541   6.350  -8.531
  251    HE   ARG  32           HE       ARG  32   6.416   4.961 -10.724
  252   1HH1  ARG  32          1HH2      ARG  32   4.367   6.736 -11.680
  253   2HH1  ARG  32          2HH2      ARG  32   5.158   7.667 -12.916
  254   1HH2  ARG  32          2HH1      ARG  32   8.171   6.643 -11.509
  255   2HH2  ARG  32          1HH1      ARG  32   7.524   7.605 -12.797
  256    H    PHE  33           H        PHE  33   1.297   5.481  -7.543
  257    HA   PHE  33           HA       PHE  33  -0.963   6.662  -9.064
  258   1HB   PHE  33          2HB       PHE  33  -2.707   5.539  -7.863
  259   2HB   PHE  33          1HB       PHE  33  -1.645   4.290  -8.484
  260    HD1  PHE  33           HD1      PHE  33   0.478   3.962  -6.522
  261    HD2  PHE  33           HD2      PHE  33  -3.611   4.931  -5.872
  262    HE1  PHE  33           HE1      PHE  33   0.591   3.041  -4.250
  263    HE2  PHE  33           HE2      PHE  33  -3.472   3.987  -3.624
  264    HZ   PHE  33           HZ       PHE  33  -1.366   3.042  -2.817
  265    H    TRP  34           H        TRP  34  -2.394   8.042  -7.751
  266    HA   TRP  34           HA       TRP  34  -0.715   9.525  -5.768
  267   1HB   TRP  34          2HB       TRP  34  -3.242  10.185  -7.431
  268   2HB   TRP  34          1HB       TRP  34  -2.653  11.204  -6.189
  269    HD1  TRP  34           HD1      TRP  34  -2.232  10.411  -9.448
  270    HE1  TRP  34           HE1      TRP  34  -0.201  11.772 -10.441
  271    HE3  TRP  34           HE3      TRP  34  -0.328  12.040  -5.270
  272    HZ2  TRP  34           HZ2      TRP  34   1.950  13.393  -9.440
  273    HZ3  TRP  34           HZ3      TRP  34   1.660  13.524  -5.162
  274    HH2  TRP  34           HH2      TRP  34   2.811  14.193  -7.250
  275    H    TYR  35           H        TYR  35  -1.293   7.546  -4.394
  276    HA   TYR  35           HA       TYR  35  -3.263   6.758  -2.855
  277   1HB   TYR  35          2HB       TYR  35  -1.059   6.159  -2.238
  278   2HB   TYR  35          1HB       TYR  35  -0.582   7.811  -1.937
  279    HD1  TYR  35           HD2      TYR  35  -3.825   6.521  -0.538
  280    HD2  TYR  35           HD1      TYR  35   0.297   7.283   0.280
  281    HE1  TYR  35           HE2      TYR  35  -4.214   6.223   1.861
  282    HE2  TYR  35           HE1      TYR  35  -0.156   6.965   2.677
  283    HH   TYR  35           HH       TYR  35  -2.741   7.249   4.067
  284    H    GLY  36           H        GLY  36  -1.738   9.474  -1.539
  285   1HA   GLY  36          2HA       GLY  36  -2.875  11.608  -0.868
  286   2HA   GLY  36          1HA       GLY  36  -4.327  10.659  -0.505
  287    H    GLY  37           H        GLY  37  -4.265  11.419   1.657
  288   1HA   GLY  37          2HA       GLY  37  -2.016  10.341   3.340
  289   2HA   GLY  37          1HA       GLY  37  -3.028  11.719   3.790
  290    H    CYS  38           H        CYS  38  -5.468  10.959   3.612
  291    HA   CYS  38           HA       CYS  38  -6.001   9.306   5.842
  292   1HB   CYS  38          2HB       CYS  38  -7.751   9.983   3.500
  293   2HB   CYS  38          1HB       CYS  38  -8.302   9.157   4.949
  294    H    GLY  39           H        GLY  39  -4.741   7.581   5.650
  295   1HA   GLY  39          2HA       GLY  39  -3.975   5.361   5.168
  296   2HA   GLY  39          1HA       GLY  39  -5.558   5.040   5.768
  297    H    GLY  40           H        GLY  40  -7.219   5.200   3.619
  298   1HA   GLY  40          2HA       GLY  40  -7.801   3.942   1.618
  299   2HA   GLY  40          1HA       GLY  40  -6.100   4.017   1.207
  300    H    ASN  41           H        ASN  41  -6.456   1.763   0.423
  301    HA   ASN  41           HA       ASN  41  -6.736  -0.300   2.591
  302   1HB   ASN  41          2HB       ASN  41  -7.546  -1.781   0.896
  303   2HB   ASN  41          1HB       ASN  41  -8.229  -0.225   0.480
  304   1HD2  ASN  41          2HD2      ASN  41  -6.745  -0.258  -2.653
  305   2HD2  ASN  41          1HD2      ASN  41  -7.818   0.532  -1.604
  306    H    GLU  42           H        GLU  42  -5.715  -2.423   1.698
  307    HA   GLU  42           HA       GLU  42  -3.008  -2.506   2.438
  308   1HB   GLU  42          2HB       GLU  42  -4.552  -4.642   0.959
  309   2HB   GLU  42          1HB       GLU  42  -3.130  -4.849   1.977
  310   1HG   GLU  42          2HG       GLU  42  -4.957  -5.504   3.359
  311   2HG   GLU  42          1HG       GLU  42  -4.552  -3.903   3.926
  312    H    ASN  43           H        ASN  43  -4.123  -2.451  -0.925
  313    HA   ASN  43           HA       ASN  43  -1.422  -3.293  -1.865
  314   1HB   ASN  43          2HB       ASN  43  -3.529  -3.966  -2.925
  315   2HB   ASN  43          1HB       ASN  43  -3.843  -2.322  -3.460
  316   1HD2  ASN  43          2HD2      ASN  43  -2.164  -3.434  -6.412
  317   2HD2  ASN  43          1HD2      ASN  43  -3.683  -3.109  -5.744
  318    H    LYS  44           H        LYS  44  -0.656  -1.576  -0.599
  319    HA   LYS  44           HA       LYS  44   0.219   0.600  -2.370
  320   1HB   LYS  44          2HB       LYS  44  -1.761   1.492  -1.451
  321   2HB   LYS  44          1HB       LYS  44  -1.423   0.863   0.144
  322   1HG   LYS  44          2HG       LYS  44   0.193   2.561   0.642
  323   2HG   LYS  44          1HG       LYS  44   0.370   3.001  -1.040
  324   1HD   LYS  44          2HD       LYS  44  -1.155   4.502   0.590
  325   2HD   LYS  44          1HD       LYS  44  -1.558   4.312  -1.095
  326   1HE   LYS  44          2HE       LYS  44  -3.568   4.096   0.280
  327   2HE   LYS  44          1HE       LYS  44  -3.205   2.588  -0.532
  328   1HZ   LYS  44          1HZ       LYS  44  -1.781   2.565   1.880
  329   2HZ   LYS  44          3HZ       LYS  44  -3.351   3.101   2.217
  330   3HZ   LYS  44          2HZ       LYS  44  -3.140   1.626   1.459
  331    H    PHE  45           H        PHE  45   2.245   0.896  -2.396
  332    HA   PHE  45           HA       PHE  45   3.858   0.456   0.081
  333   1HB   PHE  45          2HB       PHE  45   4.603  -0.294  -2.766
  334   2HB   PHE  45          1HB       PHE  45   5.535  -0.650  -1.330
  335    HD1  PHE  45           HD1      PHE  45   2.377  -1.422  -3.186
  336    HD2  PHE  45           HD2      PHE  45   4.799  -2.460   0.145
  337    HE1  PHE  45           HE1      PHE  45   1.066  -3.467  -2.874
  338    HE2  PHE  45           HE2      PHE  45   3.484  -4.503   0.470
  339    HZ   PHE  45           HZ       PHE  45   1.600  -5.025  -1.053
  340    H    GLY  46           H        GLY  46   5.853   1.421   0.163
  341   1HA   GLY  46          2HA       GLY  46   5.934   4.223  -0.364
  342   2HA   GLY  46          1HA       GLY  46   7.285   3.248   0.197
  343    H    SER  47           H        SER  47   7.524   1.609  -1.811
  344    HA   SER  47           HA       SER  47   8.353   3.086  -4.258
  345   1HB   SER  47          2HB       SER  47  10.524   2.061  -4.330
  346   2HB   SER  47          1HB       SER  47  10.326   2.971  -2.824
  347    HG   SER  47           HG       SER  47   9.610   0.951  -1.857
  348    H    GLN  48           H        GLN  48   8.634   1.868  -6.185
  349    HA   GLN  48           HA       GLN  48   6.881  -0.183  -6.837
  350   1HB   GLN  48          2HB       GLN  48   8.196   1.063  -8.511
  351   2HB   GLN  48          1HB       GLN  48   9.694   0.467  -7.876
  352   1HG   GLN  48          2HG       GLN  48   7.647  -1.457  -9.109
  353   2HG   GLN  48          1HG       GLN  48   8.887  -0.678 -10.065
  354   1HE2  GLN  48          2HE2      GLN  48   9.950  -3.987  -8.463
  355   2HE2  GLN  48          1HE2      GLN  48   8.398  -3.603  -9.002
  356    H    LYS  49           H        LYS  49  10.164  -0.591  -6.006
  357    HA   LYS  49           HA       LYS  49  10.374  -3.368  -5.911
  358   1HB   LYS  49          2HB       LYS  49  11.547  -1.497  -3.792
  359   2HB   LYS  49          1HB       LYS  49  12.306  -3.002  -4.288
  360   1HG   LYS  49          2HG       LYS  49  12.982  -2.100  -6.401
  361   2HG   LYS  49          1HG       LYS  49  12.051  -0.651  -6.221
  362   1HD   LYS  49          2HD       LYS  49  14.410  -1.448  -4.383
  363   2HD   LYS  49          1HD       LYS  49  14.545  -0.362  -5.731
  364   1HE   LYS  49          2HE       LYS  49  14.398   1.090  -3.864
  365   2HE   LYS  49          1HE       LYS  49  12.808   1.150  -4.598
  366   1HZ   LYS  49          1HZ       LYS  49  12.880  -0.999  -2.741
  367   2HZ   LYS  49          3HZ       LYS  49  13.405   0.381  -1.934
  368   3HZ   LYS  49          2HZ       LYS  49  11.892   0.365  -2.673
  369    H    GLU  50           H        GLU  50   9.609  -1.463  -3.143
  370    HA   GLU  50           HA       GLU  50   9.262  -3.341  -1.174
  371   1HB   GLU  50          2HB       GLU  50   9.422  -0.993  -1.212
  372   2HB   GLU  50          1HB       GLU  50   7.843  -0.855  -1.972
  373   1HG   GLU  50          2HG       GLU  50   6.795  -1.579   0.168
  374   2HG   GLU  50          1HG       GLU  50   8.384  -1.708   0.891
  375    H    CYS  51           H        CYS  51   6.904  -2.149  -3.395
  376    HA   CYS  51           HA       CYS  51   4.721  -3.934  -2.797
  377   1HB   CYS  51          2HB       CYS  51   4.538  -1.765  -4.037
  378   2HB   CYS  51          1HB       CYS  51   5.469  -2.438  -5.324
  379    H    GLU  52           H        GLU  52   7.109  -4.078  -5.444
  380    HA   GLU  52           HA       GLU  52   6.301  -6.554  -6.615
  381   1HB   GLU  52          2HB       GLU  52   8.127  -4.601  -7.112
  382   2HB   GLU  52          1HB       GLU  52   9.230  -5.695  -6.312
  383   1HG   GLU  52          2HG       GLU  52   9.407  -6.220  -8.695
  384   2HG   GLU  52          1HG       GLU  52   8.420  -7.500  -8.057
  385    H    LYS  53           H        LYS  53   8.758  -6.077  -4.160
  386    HA   LYS  53           HA       LYS  53   9.201  -8.814  -3.683
  387   1HB   LYS  53          2HB       LYS  53  10.636  -6.869  -2.831
  388   2HB   LYS  53          1HB       LYS  53   9.344  -6.428  -1.732
  389   1HG   LYS  53          2HG       LYS  53   9.528  -8.616  -0.566
  390   2HG   LYS  53          1HG       LYS  53  10.765  -9.138  -1.690
  391   1HD   LYS  53          2HD       LYS  53  12.260  -7.290  -0.887
  392   2HD   LYS  53          1HD       LYS  53  10.980  -6.718   0.181
  393   1HE   LYS  53          2HE       LYS  53  11.001  -8.882   1.387
  394   2HE   LYS  53          1HE       LYS  53  12.264  -9.481   0.314
  395   1HZ   LYS  53          1HZ       LYS  53  13.046  -6.928   1.268
  396   2HZ   LYS  53          3HZ       LYS  53  12.597  -7.841   2.619
  397   3HZ   LYS  53          2HZ       LYS  53  13.807  -8.404   1.577
  398    H    VAL  54           H        VAL  54   6.464  -7.026  -2.706
  399    HA   VAL  54           HA       VAL  54   5.635  -9.008  -0.662
  400    HB   VAL  54           HB       VAL  54   4.599  -6.335  -1.688
  401   1HG1  VAL  54          2HG1      VAL  54   3.392  -8.141   0.514
  402   2HG1  VAL  54          1HG1      VAL  54   2.829  -6.524   0.140
  403   3HG1  VAL  54          3HG1      VAL  54   2.616  -7.811  -1.022
  404   1HG2  VAL  54          3HG2      VAL  54   6.533  -6.341  -0.136
  405   2HG2  VAL  54          2HG2      VAL  54   5.150  -5.649   0.666
  406   3HG2  VAL  54          1HG2      VAL  54   5.635  -7.295   1.030
  407    H    CYS  55           H        CYS  55   4.559  -7.903  -3.825
  408    HA   CYS  55           HA       CYS  55   2.601 -10.201  -3.914
  409   1HB   CYS  55          2HB       CYS  55   1.799  -7.896  -4.400
  410   2HB   CYS  55          1HB       CYS  55   2.852  -7.849  -5.799
  411    H    ALA  56           H        ALA  56   5.443  -9.099  -5.562
  412    HA   ALA  56           HA       ALA  56   5.359 -11.234  -7.621
  413   1HB   ALA  56          1HB       ALA  56   5.904  -8.859  -8.255
  414   2HB   ALA  56          3HB       ALA  56   7.256  -8.926  -7.149
  415   3HB   ALA  56          2HB       ALA  56   7.271  -9.925  -8.564
  416    HA   PRO  57           HA       PRO  57   8.230 -13.201  -4.500
  417   1HB   PRO  57          2HB       PRO  57   7.371 -15.776  -4.700
  418   2HB   PRO  57          1HB       PRO  57   6.480 -14.575  -3.746
  419   1HG   PRO  57          2HG       PRO  57   6.035 -15.254  -6.728
  420   2HG   PRO  57          1HG       PRO  57   4.827 -15.419  -5.441
  421   1HD   PRO  57          2HD       PRO  57   4.850 -13.142  -6.855
  422   2HD   PRO  57          1HD       PRO  57   4.779 -13.001  -5.080
  423    H    VAL  58           HN       VAL  58   9.963 -14.720  -4.708
  424    HA   VAL  58           HA       VAL  58  10.799 -15.564  -7.379
  425    HB   VAL  58           HB       VAL  58  13.171 -14.616  -6.699
  426   1HG1  VAL  58          1HG1      VAL  58  11.669 -13.426  -8.351
  427   2HG1  VAL  58          3HG1      VAL  58  10.894 -12.576  -7.031
  428   3HG1  VAL  58          2HG1      VAL  58  12.584 -12.260  -7.402
  429   1HG2  VAL  58          1HG2      VAL  58  12.651 -14.282  -4.303
  430   2HG2  VAL  58          3HG2      VAL  58  13.192 -12.774  -5.032
  431   3HG2  VAL  58          2HG2      VAL  58  11.481 -13.038  -4.710
   
  No H/Q in entry =         431
  Start of MODEL   14
    1   1H    GLU   1          2H        GLU   1  -5.320 -14.755  -3.069
    2   2H    GLU   1          1H        GLU   1  -5.866 -16.362  -3.304
    3   3H    GLU   1          3H        GLU   1  -6.802 -15.060  -3.799
    4    HA   GLU   1           HA       GLU   1  -7.876 -14.948  -1.902
    5   1HB   GLU   1          2HB       GLU   1  -5.939 -17.283  -1.327
    6   2HB   GLU   1          1HB       GLU   1  -7.366 -16.944  -0.365
    7   1HG   GLU   1          2HG       GLU   1  -7.587 -18.668  -2.533
    8   2HG   GLU   1          1HG       GLU   1  -8.917 -17.609  -2.183
    9    H    THR   2           H        THR   2  -7.518 -13.538   0.056
   10    HA   THR   2           HA       THR   2  -6.299 -11.810   1.172
   11    HB   THR   2           HB       THR   2  -3.991 -13.903   1.098
   12    HG1  THR   2           HG1      THR   2  -5.318 -14.025   3.311
   13   1HG2  THR   2          1HG2      THR   2  -4.925 -11.938   3.283
   14   2HG2  THR   2          3HG2      THR   2  -3.476 -12.938   3.313
   15   3HG2  THR   2          2HG2      THR   2  -3.577 -11.579   2.214
   16    H    ASP   3           H        ASP   3  -6.492 -11.911  -1.338
   17    HA   ASP   3           HA       ASP   3  -4.459 -11.464  -3.154
   18   1HB   ASP   3          2HB       ASP   3  -7.408 -10.778  -3.057
   19   2HB   ASP   3          1HB       ASP   3  -6.431 -10.729  -4.504
   20    H    ILE   4           H        ILE   4  -3.616  -9.712  -1.329
   21    HA   ILE   4           HA       ILE   4  -4.216  -7.000  -1.683
   22    HB   ILE   4           HB       ILE   4  -1.944  -6.478  -1.061
   23   1HG1  ILE   4          2HG1      ILE   4  -0.459  -8.649  -0.492
   24   2HG1  ILE   4          1HG1      ILE   4  -1.386  -9.377  -1.776
   25   1HG2  ILE   4          1HG2      ILE   4  -3.493  -7.198   0.714
   26   2HG2  ILE   4          3HG2      ILE   4  -3.065  -8.883   0.454
   27   3HG2  ILE   4          2HG2      ILE   4  -1.879  -7.761   1.093
   28   1HD1  ILE   4          1HD1      ILE   4   0.262  -6.810  -2.031
   29   2HD1  ILE   4          3HD1      ILE   4   0.723  -8.393  -2.619
   30   3HD1  ILE   4          2HD1      ILE   4  -0.612  -7.550  -3.356
   31    H    CYS   5           H        CYS   5  -2.913  -9.044  -3.965
   32    HA   CYS   5           HA       CYS   5  -1.799  -7.072  -5.846
   33   1HB   CYS   5          2HB       CYS   5  -2.354 -10.010  -6.129
   34   2HB   CYS   5          1HB       CYS   5  -1.333  -9.075  -7.190
   35    H    LYS   6           H        LYS   6  -4.877  -8.254  -5.306
   36    HA   LYS   6           HA       LYS   6  -5.916  -7.615  -8.047
   37   1HB   LYS   6          2HB       LYS   6  -6.954  -9.377  -5.790
   38   2HB   LYS   6          1HB       LYS   6  -7.934  -8.973  -7.176
   39   1HG   LYS   6          2HG       LYS   6  -6.684 -10.303  -8.691
   40   2HG   LYS   6          1HG       LYS   6  -5.217 -10.147  -7.769
   41   1HD   LYS   6          2HD       LYS   6  -6.120 -12.497  -7.695
   42   2HD   LYS   6          1HD       LYS   6  -5.892 -11.780  -6.139
   43   1HE   LYS   6          2HE       LYS   6  -8.402 -11.410  -5.978
   44   2HE   LYS   6          1HE       LYS   6  -8.600 -12.166  -7.556
   45   1HZ   LYS   6          3HZ       LYS   6  -6.955 -13.787  -5.839
   46   2HZ   LYS   6          2HZ       LYS   6  -8.328 -13.470  -5.030
   47   3HZ   LYS   6          1HZ       LYS   6  -8.433 -14.278  -6.476
   48    H    LEU   7           H        LEU   7  -5.283  -5.877  -5.646
   49    HA   LEU   7           HA       LEU   7  -7.855  -4.582  -5.291
   50   1HB   LEU   7          2HB       LEU   7  -5.332  -4.084  -3.666
   51   2HB   LEU   7          1HB       LEU   7  -6.954  -3.627  -3.228
   52    HG   LEU   7           HG       LEU   7  -5.810  -6.447  -3.320
   53   1HD1  LEU   7          1HD1      LEU   7  -5.227  -5.020  -1.355
   54   2HD1  LEU   7          3HD1      LEU   7  -6.930  -4.710  -1.080
   55   3HD1  LEU   7          2HD1      LEU   7  -6.300  -6.331  -0.878
   56   1HD2  LEU   7          2HD2      LEU   7  -8.644  -5.511  -2.597
   57   2HD2  LEU   7          1HD2      LEU   7  -8.234  -6.421  -4.040
   58   3HD2  LEU   7          3HD2      LEU   7  -8.049  -7.159  -2.468
   59    HA   PRO   8           HA       PRO   8  -5.744  -1.457  -7.812
   60   1HB   PRO   8          2HB       PRO   8  -7.842  -0.134  -8.771
   61   2HB   PRO   8          1HB       PRO   8  -7.744  -1.878  -9.063
   62   1HG   PRO   8          2HG       PRO   8  -9.256  -0.448  -6.780
   63   2HG   PRO   8          1HG       PRO   8  -9.922  -1.608  -7.930
   64   1HD   PRO   8          2HD       PRO   8  -8.925  -2.322  -5.399
   65   2HD   PRO   8          1HD       PRO   8  -8.965  -3.457  -6.775
   66    H    LYS   9           H        LYS   9  -5.856   0.923  -8.055
   67    HA   LYS   9           HA       LYS   9  -4.756   2.299  -5.881
   68   1HB   LYS   9          2HB       LYS   9  -6.664   3.626  -7.715
   69   2HB   LYS   9          1HB       LYS   9  -5.310   4.389  -6.901
   70   1HG   LYS   9          2HG       LYS   9  -3.762   3.197  -8.440
   71   2HG   LYS   9          1HG       LYS   9  -5.117   2.443  -9.253
   72   1HD   LYS   9          2HD       LYS   9  -4.503   5.464  -9.082
   73   2HD   LYS   9          1HD       LYS   9  -4.595   4.502 -10.540
   74   1HE   LYS   9          2HE       LYS   9  -6.656   5.699 -10.556
   75   2HE   LYS   9          1HE       LYS   9  -7.130   4.150  -9.870
   76   1HZ   LYS   9          1HZ       LYS   9  -6.186   5.898  -7.758
   77   2HZ   LYS   9          3HZ       LYS   9  -7.291   6.713  -8.542
   78   3HZ   LYS   9          2HZ       LYS   9  -7.643   5.260  -7.822
   79    H    ASP  10           H        ASP  10  -5.599   2.682  -3.866
   80    HA   ASP  10           HA       ASP  10  -8.472   3.519  -3.648
   81   1HB   ASP  10          2HB       ASP  10  -7.915   1.238  -3.098
   82   2HB   ASP  10          1HB       ASP  10  -6.789   1.728  -1.838
   83    H    GLU  11           H        GLU  11  -7.507   5.613  -4.000
   84    HA   GLU  11           HA       GLU  11  -5.816   7.052  -2.341
   85   1HB   GLU  11          2HB       GLU  11  -8.261   7.958  -3.965
   86   2HB   GLU  11          1HB       GLU  11  -7.165   9.086  -3.192
   87   1HG   GLU  11          2HG       GLU  11  -6.055   9.004  -5.178
   88   2HG   GLU  11          1HG       GLU  11  -5.328   7.602  -4.473
   89    H    GLY  12           H        GLY  12  -9.279   6.730  -1.668
   90   1HA   GLY  12          2HA       GLY  12  -9.932   6.626   0.777
   91   2HA   GLY  12          1HA       GLY  12  -8.796   7.949   1.041
   92    H    THR  13           H        THR  13 -10.588   9.099   2.020
   93    HA   THR  13           HA       THR  13 -12.402  10.393  -0.015
   94    HB   THR  13           HB       THR  13 -14.174  10.547   1.792
   95    HG1  THR  13           HG1      THR  13 -12.742  10.616   3.493
   96   1HG2  THR  13          3HG2      THR  13 -13.957   8.261   0.530
   97   2HG2  THR  13          2HG2      THR  13 -12.918   7.757   1.857
   98   3HG2  THR  13          1HG2      THR  13 -14.592   8.165   2.172
   99    H    CYS  14           H        CYS  14  -9.956  11.472   0.630
  100    HA   CYS  14           HA       CYS  14 -10.706  14.028   2.014
  101   1HB   CYS  14          2HB       CYS  14  -7.895  12.928   2.087
  102   2HB   CYS  14          1HB       CYS  14  -8.690  13.954   3.240
  103    H    ARG  15           H        ARG  15  -8.622  15.625   1.464
  104    HA   ARG  15           HA       ARG  15  -8.337  15.602  -1.559
  105   1HB   ARG  15          2HB       ARG  15  -9.978  17.295  -0.499
  106   2HB   ARG  15          1HB       ARG  15  -8.591  17.987   0.320
  107   1HG   ARG  15          2HG       ARG  15  -7.511  18.460  -1.910
  108   2HG   ARG  15          1HG       ARG  15  -8.933  17.827  -2.721
  109   1HD   ARG  15          2HD       ARG  15 -10.323  19.584  -1.538
  110   2HD   ARG  15          1HD       ARG  15  -8.846  20.166  -0.764
  111    HE   ARG  15           HE       ARG  15  -7.935  20.632  -3.123
  112   1HH1  ARG  15          1HH2      ARG  15  -9.889  19.244  -4.505
  113   2HH1  ARG  15          2HH2      ARG  15 -10.920  20.463  -5.191
  114   1HH2  ARG  15          2HH1      ARG  15  -9.602  22.646  -2.818
  115   2HH2  ARG  15          1HH1      ARG  15 -10.734  22.595  -4.130
  116    H    ASP  16           H        ASP  16  -6.719  14.478   0.461
  117    HA   ASP  16           HA       ASP  16  -4.151  15.934   0.354
  118   1HB   ASP  16          2HB       ASP  16  -5.260  13.936   2.412
  119   2HB   ASP  16          1HB       ASP  16  -3.890  15.015   2.627
  120    H    PHE  17           H        PHE  17  -3.749  15.004  -1.726
  121    HA   PHE  17           HA       PHE  17  -3.390  12.050  -1.907
  122   1HB   PHE  17          2HB       PHE  17  -3.179  14.103  -4.120
  123   2HB   PHE  17          1HB       PHE  17  -3.291  12.365  -4.312
  124    HD1  PHE  17           HD1      PHE  17  -5.329  11.190  -3.084
  125    HD2  PHE  17           HD2      PHE  17  -5.197  15.323  -4.100
  126    HE1  PHE  17           HE1      PHE  17  -7.761  11.303  -2.934
  127    HE2  PHE  17           HE2      PHE  17  -7.649  15.431  -3.950
  128    HZ   PHE  17           HZ       PHE  17  -8.935  13.407  -3.359
  129    H    ILE  18           H        ILE  18  -1.615  11.010  -1.899
  130    HA   ILE  18           HA       ILE  18   1.036  12.344  -2.347
  131    HB   ILE  18           HB       ILE  18   1.974  11.063  -0.433
  132   1HG1  ILE  18          2HG1      ILE  18   0.224   9.293   0.675
  133   2HG1  ILE  18          1HG1      ILE  18  -0.338   9.223  -0.977
  134   1HG2  ILE  18          2HG2      ILE  18   0.396  12.795   0.429
  135   2HG2  ILE  18          1HG2      ILE  18  -0.900  11.617   0.431
  136   3HG2  ILE  18          3HG2      ILE  18   0.473  11.393   1.481
  137   1HD1  ILE  18          1HD1      ILE  18   1.976   8.636  -1.763
  138   2HD1  ILE  18          3HD1      ILE  18   2.551   8.758  -0.121
  139   3HD1  ILE  18          2HD1      ILE  18   1.420   7.500  -0.566
  140    H    LEU  19           H        LEU  19   2.746  10.827  -3.273
  141    HA   LEU  19           HA       LEU  19   1.425   8.958  -5.196
  142   1HB   LEU  19          2HB       LEU  19   4.118  10.322  -5.072
  143   2HB   LEU  19          1HB       LEU  19   3.926   8.961  -6.126
  144    HG   LEU  19           HG       LEU  19   2.307  11.606  -6.324
  145   1HD1  LEU  19          1HD1      LEU  19   4.652  11.741  -7.191
  146   2HD1  LEU  19          3HD1      LEU  19   4.326  10.358  -8.231
  147   3HD1  LEU  19          2HD1      LEU  19   3.458  11.855  -8.466
  148   1HD2  LEU  19          2HD2      LEU  19   2.240   9.155  -8.177
  149   2HD2  LEU  19          1HD2      LEU  19   0.945   9.614  -7.096
  150   3HD2  LEU  19          3HD2      LEU  19   1.378  10.660  -8.411
  151    H    LYS  20           H        LYS  20   1.751   6.807  -5.347
  152    HA   LYS  20           HA       LYS  20   3.951   5.569  -3.776
  153   1HB   LYS  20          2HB       LYS  20   1.504   5.978  -2.489
  154   2HB   LYS  20          1HB       LYS  20   1.139   4.438  -3.236
  155   1HG   LYS  20          2HG       LYS  20   2.764   3.303  -2.023
  156   2HG   LYS  20          1HG       LYS  20   3.796   4.715  -1.753
  157   1HD   LYS  20          2HD       LYS  20   1.863   5.434  -0.113
  158   2HD   LYS  20          1HD       LYS  20   1.343   3.776  -0.191
  159   1HE   LYS  20          2HE       LYS  20   4.126   4.697   0.765
  160   2HE   LYS  20          1HE       LYS  20   2.806   4.280   1.838
  161   1HZ   LYS  20          2HZ       LYS  20   3.232   2.166  -0.017
  162   2HZ   LYS  20          1HZ       LYS  20   4.688   2.417   0.791
  163   3HZ   LYS  20          3HZ       LYS  20   3.331   2.037   1.606
  164    H    TRP  21           H        TRP  21   3.760   2.997  -4.316
  165    HA   TRP  21           HA       TRP  21   3.226   2.689  -7.212
  166   1HB   TRP  21          2HB       TRP  21   5.167   1.112  -5.420
  167   2HB   TRP  21          1HB       TRP  21   4.974   0.871  -7.134
  168    HD1  TRP  21           HD1      TRP  21   6.309   3.619  -4.665
  169    HE1  TRP  21           HE1      TRP  21   8.075   4.854  -5.952
  170    HE3  TRP  21           HE3      TRP  21   5.924   1.270  -9.098
  171    HZ2  TRP  21           HZ2      TRP  21   9.340   4.823  -8.559
  172    HZ3  TRP  21           HZ3      TRP  21   7.423   1.840 -10.984
  173    HH2  TRP  21           HH2      TRP  21   9.133   3.605 -10.727
  174    H    TYR  22           H        TYR  22   2.027   0.876  -7.815
  175    HA   TYR  22           HA       TYR  22   1.039  -0.925  -5.613
  176   1HB   TYR  22          2HB       TYR  22  -1.173  -0.412  -6.007
  177   2HB   TYR  22          1HB       TYR  22  -0.524   1.127  -6.487
  178    HD1  TYR  22           HD1      TYR  22   0.280   0.977  -9.256
  179    HD2  TYR  22           HD2      TYR  22  -2.808  -1.170  -7.278
  180    HE1  TYR  22           HE1      TYR  22  -0.904   0.619 -11.430
  181    HE2  TYR  22           HE2      TYR  22  -3.941  -1.506  -9.460
  182    HH   TYR  22           HH       TYR  22  -2.589  -0.918 -12.381
  183    H    TYR  23           H        TYR  23   0.466  -2.984  -6.393
  184    HA   TYR  23           HA       TYR  23   1.940  -3.871  -8.749
  185   1HB   TYR  23          2HB       TYR  23   1.804  -5.162  -6.573
  186   2HB   TYR  23          1HB       TYR  23   0.099  -5.450  -6.881
  187    HD1  TYR  23           HD1      TYR  23   3.473  -5.944  -8.364
  188    HD2  TYR  23           HD2      TYR  23  -0.593  -7.135  -8.399
  189    HE1  TYR  23           HE1      TYR  23   4.015  -7.787  -9.917
  190    HE2  TYR  23           HE2      TYR  23  -0.031  -8.975  -9.967
  191    HH   TYR  23           HH       TYR  23   3.263  -9.423 -11.134
  192    H    ASP  24           H        ASP  24   1.143  -4.057 -10.618
  193    HA   ASP  24           HA       ASP  24  -1.740  -3.758 -11.246
  194   1HB   ASP  24          2HB       ASP  24  -0.278  -2.010 -11.784
  195   2HB   ASP  24          1HB       ASP  24   0.825  -3.049 -12.685
  196    HA   PRO  25           HA       PRO  25  -1.310  -8.298 -12.341
  197   1HB   PRO  25          2HB       PRO  25  -4.134  -8.283 -12.699
  198   2HB   PRO  25          1HB       PRO  25  -3.248  -8.851 -11.286
  199   1HG   PRO  25          2HG       PRO  25  -4.371  -6.039 -11.799
  200   2HG   PRO  25          1HG       PRO  25  -4.519  -7.021 -10.331
  201   1HD   PRO  25          2HD       PRO  25  -2.705  -5.150 -10.314
  202   2HD   PRO  25          1HD       PRO  25  -2.163  -6.759  -9.808
  203    H    ASN  26           H        ASN  26  -2.641  -5.590 -14.063
  204    HA   ASN  26           HA       ASN  26  -3.229  -6.816 -16.601
  205   1HB   ASN  26          2HB       ASN  26  -2.263  -3.910 -16.331
  206   2HB   ASN  26          1HB       ASN  26  -3.530  -4.554 -17.349
  207   1HD2  ASN  26          2HD2      ASN  26  -4.503  -3.219 -13.791
  208   2HD2  ASN  26          1HD2      ASN  26  -2.955  -2.978 -14.451
  209    H    THR  27           H        THR  27  -0.455  -5.241 -15.326
  210    HA   THR  27           HA       THR  27   1.298  -6.054 -17.650
  211    HB   THR  27           HB       THR  27   1.432  -3.666 -16.749
  212    HG1  THR  27           HG1      THR  27   3.453  -3.955 -17.393
  213   1HG2  THR  27          3HG2      THR  27   1.495  -4.292 -14.222
  214   2HG2  THR  27          2HG2      THR  27   3.092  -4.976 -14.551
  215   3HG2  THR  27          1HG2      THR  27   2.792  -3.273 -14.799
  216    H    LYS  28           H        LYS  28   1.259  -6.289 -14.211
  217    HA   LYS  28           HA       LYS  28   1.518  -7.966 -12.764
  218   1HB   LYS  28          2HB       LYS  28   3.003  -9.423 -15.087
  219   2HB   LYS  28          1HB       LYS  28   2.949 -10.069 -13.481
  220   1HG   LYS  28          2HG       LYS  28   0.727 -10.438 -13.378
  221   2HG   LYS  28          1HG       LYS  28   0.309  -9.126 -14.426
  222   1HD   LYS  28          2HD       LYS  28   1.575 -11.789 -15.410
  223   2HD   LYS  28          1HD       LYS  28  -0.144 -11.518 -15.458
  224   1HE   LYS  28          2HE       LYS  28   2.005 -10.021 -16.997
  225   2HE   LYS  28          1HE       LYS  28   0.770 -11.080 -17.645
  226   1HZ   LYS  28          1HZ       LYS  28  -0.557  -9.087 -16.091
  227   2HZ   LYS  28          3HZ       LYS  28   0.568  -8.327 -17.062
  228   3HZ   LYS  28          2HZ       LYS  28  -0.636  -9.223 -17.756
  229    H    SER  29           H        SER  29   2.972  -5.732 -12.826
  230    HA   SER  29           HA       SER  29   5.232  -6.465 -11.145
  231   1HB   SER  29          2HB       SER  29   6.244  -6.039 -13.423
  232   2HB   SER  29          1HB       SER  29   5.423  -4.471 -13.511
  233    HG   SER  29           HG       SER  29   7.719  -5.076 -12.131
  234    H    CYS  30           H        CYS  30   5.851  -3.529 -10.903
  235    HA   CYS  30           HA       CYS  30   3.275  -2.515  -9.728
  236   1HB   CYS  30          2HB       CYS  30   6.057  -2.210  -8.622
  237   2HB   CYS  30          1HB       CYS  30   4.600  -1.590  -7.898
  238    H    ALA  31           H        ALA  31   2.715  -0.452 -10.097
  239    HA   ALA  31           HA       ALA  31   4.581   1.339 -11.570
  240   1HB   ALA  31          1HB       ALA  31   1.613   0.773 -12.136
  241   2HB   ALA  31          3HB       ALA  31   2.578   1.945 -13.017
  242   3HB   ALA  31          2HB       ALA  31   2.950   0.232 -13.126
  243    H    ARG  32           H        ARG  32   3.830   3.534 -11.445
  244    HA   ARG  32           HA       ARG  32   3.179   4.245  -8.710
  245   1HB   ARG  32          2HB       ARG  32   5.005   5.113 -10.252
  246   2HB   ARG  32          1HB       ARG  32   3.758   6.097 -10.978
  247   1HG   ARG  32          2HG       ARG  32   4.506   7.652  -9.318
  248   2HG   ARG  32          1HG       ARG  32   3.076   6.959  -8.632
  249   1HD   ARG  32          2HD       ARG  32   4.617   6.795  -6.836
  250   2HD   ARG  32          1HD       ARG  32   4.557   5.184  -7.491
  251    HE   ARG  32           HE       ARG  32   6.944   5.764  -7.395
  252   1HH1  ARG  32          2HH1      ARG  32   6.620   8.464  -8.092
  253   2HH1  ARG  32          1HH1      ARG  32   7.375   8.610  -9.653
  254   1HH2  ARG  32          1HH2      ARG  32   7.087   5.145  -9.883
  255   2HH2  ARG  32          2HH2      ARG  32   7.658   6.524 -10.778
  256    H    PHE  33           H        PHE  33   1.580   5.370  -7.917
  257    HA   PHE  33           HA       PHE  33  -0.429   6.625  -9.682
  258   1HB   PHE  33          2HB       PHE  33  -2.246   5.183  -9.051
  259   2HB   PHE  33          1HB       PHE  33  -0.921   4.056  -9.216
  260    HD1  PHE  33           HD1      PHE  33   0.403   3.443  -7.035
  261    HD2  PHE  33           HD2      PHE  33  -3.387   5.344  -7.028
  262    HE1  PHE  33           HE1      PHE  33   0.027   2.731  -4.708
  263    HE2  PHE  33           HE2      PHE  33  -3.774   4.659  -4.739
  264    HZ   PHE  33           HZ       PHE  33  -2.052   3.326  -3.547
  265    H    TRP  34           H        TRP  34  -2.157   7.650  -8.309
  266    HA   TRP  34           HA       TRP  34  -0.815   9.102  -6.104
  267   1HB   TRP  34          2HB       TRP  34  -3.303   9.618  -7.880
  268   2HB   TRP  34          1HB       TRP  34  -3.301  10.419  -6.395
  269    HD1  TRP  34           HD1      TRP  34  -2.605  10.892  -9.595
  270    HE1  TRP  34           HE1      TRP  34  -1.043  12.952  -9.943
  271    HE3  TRP  34           HE3      TRP  34  -0.778  11.498  -4.925
  272    HZ2  TRP  34           HZ2      TRP  34   0.654  14.599  -8.502
  273    HZ3  TRP  34           HZ3      TRP  34   0.779  13.323  -4.418
  274    HH2  TRP  34           HH2      TRP  34   1.511  14.875  -6.183
  275    H    TYR  35           H        TYR  35  -1.489   8.674  -3.981
  276    HA   TYR  35           HA       TYR  35  -3.763   6.836  -3.446
  277   1HB   TYR  35          2HB       TYR  35  -1.657   5.712  -2.931
  278   2HB   TYR  35          1HB       TYR  35  -0.943   7.151  -2.247
  279    HD1  TYR  35           HD1      TYR  35  -4.247   5.507  -1.595
  280    HD2  TYR  35           HD2      TYR  35  -0.508   6.667   0.128
  281    HE1  TYR  35           HE1      TYR  35  -5.014   4.786   0.567
  282    HE2  TYR  35           HE2      TYR  35  -1.314   5.923   2.288
  283    HH   TYR  35           HH       TYR  35  -3.583   5.655   3.345
  284    H    GLY  36           H        GLY  36  -1.942   8.595  -1.158
  285   1HA   GLY  36          2HA       GLY  36  -2.662  10.955  -0.359
  286   2HA   GLY  36          1HA       GLY  36  -4.319  10.336  -0.451
  287    H    GLY  37           H        GLY  37  -4.158  11.073   1.843
  288   1HA   GLY  37          2HA       GLY  37  -3.076   8.718   3.420
  289   2HA   GLY  37          1HA       GLY  37  -2.868  10.327   4.024
  290    H    CYS  38           H        CYS  38  -5.772   8.714   2.785
  291    HA   CYS  38           HA       CYS  38  -7.166   9.358   5.356
  292   1HB   CYS  38          2HB       CYS  38  -8.394   7.879   3.024
  293   2HB   CYS  38          1HB       CYS  38  -9.180   8.826   4.247
  294    H    GLY  39           H        GLY  39  -6.419   6.661   3.328
  295   1HA   GLY  39          2HA       GLY  39  -5.490   4.595   4.701
  296   2HA   GLY  39          1HA       GLY  39  -7.036   4.688   5.525
  297    H    GLY  40           H        GLY  40  -5.524   4.073   2.490
  298   1HA   GLY  40          2HA       GLY  40  -8.004   2.652   1.465
  299   2HA   GLY  40          1HA       GLY  40  -6.682   3.166   0.445
  300    H    ASN  41           H        ASN  41  -7.583   0.667   0.220
  301    HA   ASN  41           HA       ASN  41  -6.528  -1.377   1.785
  302   1HB   ASN  41          2HB       ASN  41  -6.981  -2.810  -0.090
  303   2HB   ASN  41          1HB       ASN  41  -8.082  -1.453  -0.285
  304   1HD2  ASN  41          2HD2      ASN  41  -6.812  -0.583  -3.375
  305   2HD2  ASN  41          1HD2      ASN  41  -7.998  -0.396  -2.178
  306    H    GLU  42           H        GLU  42  -4.911  -2.939   1.403
  307    HA   GLU  42           HA       GLU  42  -2.284  -2.164   1.713
  308   1HB   GLU  42          2HB       GLU  42  -3.679  -4.726   1.044
  309   2HB   GLU  42          1HB       GLU  42  -1.953  -4.660   1.369
  310   1HG   GLU  42          2HG       GLU  42  -3.711  -4.960   3.442
  311   2HG   GLU  42          1HG       GLU  42  -2.260  -4.013   3.659
  312    H    ASN  43           H        ASN  43  -3.547  -2.273  -1.526
  313    HA   ASN  43           HA       ASN  43  -0.845  -2.905  -2.584
  314   1HB   ASN  43          2HB       ASN  43  -3.048  -3.700  -3.480
  315   2HB   ASN  43          1HB       ASN  43  -3.373  -2.076  -4.074
  316   1HD2  ASN  43          2HD2      ASN  43  -1.757  -3.447  -6.966
  317   2HD2  ASN  43          1HD2      ASN  43  -3.270  -3.198  -6.235
  318    H    LYS  44           H        LYS  44  -0.283  -1.154  -1.210
  319    HA   LYS  44           HA       LYS  44   0.263   1.280  -2.808
  320   1HB   LYS  44          2HB       LYS  44  -0.489   2.788  -0.915
  321   2HB   LYS  44          1HB       LYS  44  -1.760   1.753  -1.514
  322   1HG   LYS  44          2HG       LYS  44  -1.404   0.142   0.349
  323   2HG   LYS  44          1HG       LYS  44  -0.163   1.162   1.044
  324   1HD   LYS  44          2HD       LYS  44  -1.850   3.080   1.045
  325   2HD   LYS  44          1HD       LYS  44  -3.063   1.955   0.500
  326   1HE   LYS  44          2HE       LYS  44  -1.628   1.815   3.179
  327   2HE   LYS  44          1HE       LYS  44  -3.286   2.348   2.903
  328   1HZ   LYS  44          2HZ       LYS  44  -2.946  -0.126   1.621
  329   2HZ   LYS  44          1HZ       LYS  44  -2.490  -0.406   3.218
  330   3HZ   LYS  44          3HZ       LYS  44  -3.963   0.202   2.862
  331    H    PHE  45           H        PHE  45   2.453   0.814  -3.010
  332    HA   PHE  45           HA       PHE  45   4.134   0.688  -0.557
  333   1HB   PHE  45          2HB       PHE  45   4.759  -0.205  -3.330
  334   2HB   PHE  45          1HB       PHE  45   5.649  -0.514  -1.837
  335    HD1  PHE  45           HD1      PHE  45   4.416  -1.755   0.057
  336    HD2  PHE  45           HD2      PHE  45   2.810  -1.536  -3.876
  337    HE1  PHE  45           HE1      PHE  45   2.903  -3.613   0.563
  338    HE2  PHE  45           HE2      PHE  45   1.303  -3.396  -3.373
  339    HZ   PHE  45           HZ       PHE  45   1.347  -4.440  -1.140
  340    H    GLY  46           H        GLY  46   5.974   2.069  -0.294
  341   1HA   GLY  46          2HA       GLY  46   6.054   4.695  -1.532
  342   2HA   GLY  46          1HA       GLY  46   7.310   4.010  -0.489
  343    H    SER  47           H        SER  47   7.648   1.746  -2.077
  344    HA   SER  47           HA       SER  47   8.868   2.854  -4.554
  345   1HB   SER  47          2HB       SER  47  11.032   1.816  -4.110
  346   2HB   SER  47          1HB       SER  47  10.545   2.553  -2.576
  347    HG   SER  47           HG       SER  47   9.938   0.640  -1.801
  348    H    GLN  48           H        GLN  48   9.383   1.491  -6.242
  349    HA   GLN  48           HA       GLN  48   7.396  -0.418  -6.881
  350   1HB   GLN  48          2HB       GLN  48   9.060   0.827  -8.440
  351   2HB   GLN  48          1HB       GLN  48  10.277  -0.344  -7.972
  352   1HG   GLN  48          2HG       GLN  48   8.903  -2.213  -8.902
  353   2HG   GLN  48          1HG       GLN  48   7.605  -1.091  -9.273
  354   1HE2  GLN  48          2HE2      GLN  48   8.961  -0.514 -12.377
  355   2HE2  GLN  48          1HE2      GLN  48   7.548  -0.686 -11.424
  356    H    LYS  49           H        LYS  49  10.665  -0.940  -5.672
  357    HA   LYS  49           HA       LYS  49  10.528  -3.741  -5.431
  358   1HB   LYS  49          2HB       LYS  49  12.155  -1.560  -4.023
  359   2HB   LYS  49          1HB       LYS  49  12.432  -3.246  -3.645
  360   1HG   LYS  49          2HG       LYS  49  12.276  -2.917  -6.579
  361   2HG   LYS  49          1HG       LYS  49  13.429  -1.766  -5.930
  362   1HD   LYS  49          2HD       LYS  49  14.827  -3.475  -4.992
  363   2HD   LYS  49          1HD       LYS  49  13.550  -4.674  -4.995
  364   1HE   LYS  49          2HE       LYS  49  14.703  -3.559  -7.582
  365   2HE   LYS  49          1HE       LYS  49  15.351  -4.998  -6.783
  366   1HZ   LYS  49          1HZ       LYS  49  12.526  -5.220  -6.795
  367   2HZ   LYS  49          3HZ       LYS  49  12.860  -4.881  -8.320
  368   3HZ   LYS  49          2HZ       LYS  49  13.483  -6.214  -7.544
  369    H    GLU  50           H        GLU  50   9.675  -1.315  -2.901
  370    HA   GLU  50           HA       GLU  50   9.050  -2.955  -0.775
  371   1HB   GLU  50          2HB       GLU  50   9.079  -0.615  -0.845
  372   2HB   GLU  50          1HB       GLU  50   7.677  -0.541  -1.894
  373   1HG   GLU  50          2HG       GLU  50   6.390  -1.573   0.211
  374   2HG   GLU  50          1HG       GLU  50   7.853  -1.278   1.112
  375    H    CYS  51           H        CYS  51   7.014  -2.012  -3.399
  376    HA   CYS  51           HA       CYS  51   4.702  -3.667  -2.964
  377   1HB   CYS  51          2HB       CYS  51   4.801  -1.708  -4.565
  378   2HB   CYS  51          1HB       CYS  51   5.909  -2.578  -5.539
  379    H    GLU  52           H        GLU  52   7.310  -4.193  -5.228
  380    HA   GLU  52           HA       GLU  52   6.749  -6.735  -6.245
  381   1HB   GLU  52          2HB       GLU  52   8.611  -5.110  -6.867
  382   2HB   GLU  52          1HB       GLU  52   9.411  -5.513  -5.370
  383   1HG   GLU  52          2HG       GLU  52   9.679  -7.928  -6.202
  384   2HG   GLU  52          1HG       GLU  52   9.048  -7.390  -7.752
  385    H    LYS  53           H        LYS  53   8.698  -6.060  -3.469
  386    HA   LYS  53           HA       LYS  53   9.029  -8.713  -2.555
  387   1HB   LYS  53          2HB       LYS  53  10.383  -6.700  -1.882
  388   2HB   LYS  53          1HB       LYS  53   8.998  -6.057  -1.023
  389   1HG   LYS  53          2HG       LYS  53   8.988  -7.984   0.522
  390   2HG   LYS  53          1HG       LYS  53  10.287  -8.751  -0.375
  391   1HD   LYS  53          2HD       LYS  53  11.789  -6.809   0.195
  392   2HD   LYS  53          1HD       LYS  53  10.459  -6.040   1.057
  393   1HE   LYS  53          2HE       LYS  53  10.329  -7.964   2.610
  394   2HE   LYS  53          1HE       LYS  53  11.639  -8.766   1.746
  395   1HZ   LYS  53          2HZ       LYS  53  12.444  -6.108   2.309
  396   2HZ   LYS  53          1HZ       LYS  53  11.875  -6.765   3.759
  397   3HZ   LYS  53          3HZ       LYS  53  13.131  -7.526   2.918
  398    H    VAL  54           H        VAL  54   6.194  -6.863  -2.254
  399    HA   VAL  54           HA       VAL  54   5.086  -8.573  -0.081
  400    HB   VAL  54           HB       VAL  54   4.295  -5.992  -1.442
  401   1HG1  VAL  54          1HG1      VAL  54   2.856  -7.493   0.852
  402   2HG1  VAL  54          3HG1      VAL  54   2.396  -5.900   0.277
  403   3HG1  VAL  54          2HG1      VAL  54   2.196  -7.299  -0.760
  404   1HG2  VAL  54          1HG2      VAL  54   6.091  -5.840   0.236
  405   2HG2  VAL  54          3HG2      VAL  54   4.661  -5.048   0.848
  406   3HG2  VAL  54          2HG2      VAL  54   5.096  -6.648   1.435
  407    H    CYS  55           H        CYS  55   4.553  -7.757  -3.417
  408    HA   CYS  55           HA       CYS  55   2.407  -9.862  -3.626
  409   1HB   CYS  55          2HB       CYS  55   1.756  -7.613  -4.380
  410   2HB   CYS  55          1HB       CYS  55   3.089  -7.578  -5.503
  411    H    ALA  56           H        ALA  56   5.459  -9.047  -5.222
  412    HA   ALA  56           HA       ALA  56   5.237 -11.042  -7.272
  413   1HB   ALA  56          3HB       ALA  56   6.709  -9.043  -7.416
  414   2HB   ALA  56          2HB       ALA  56   7.679  -9.671  -6.096
  415   3HB   ALA  56          1HB       ALA  56   7.671 -10.507  -7.622
  416    HA   PRO  57           HA       PRO  57   6.488 -14.575  -4.624
  417   1HB   PRO  57          2HB       PRO  57   5.455 -16.573  -6.112
  418   2HB   PRO  57          1HB       PRO  57   4.368 -15.479  -5.232
  419   1HG   PRO  57          2HG       PRO  57   5.348 -15.180  -8.140
  420   2HG   PRO  57          1HG       PRO  57   3.662 -15.322  -7.621
  421   1HD   PRO  57          2HD       PRO  57   4.727 -12.867  -7.967
  422   2HD   PRO  57          1HD       PRO  57   3.702 -13.169  -6.544
  423    H    VAL  58           HN       VAL  58   8.622 -13.678  -5.293
  424    HA   VAL  58           HA       VAL  58  10.070 -15.588  -7.047
  425    HB   VAL  58           HB       VAL  58  11.600 -13.508  -7.599
  426   1HG1  VAL  58          2HG1      VAL  58   8.649 -13.382  -8.429
  427   2HG1  VAL  58          1HG1      VAL  58   9.972 -12.636  -9.322
  428   3HG1  VAL  58          3HG1      VAL  58   9.855 -14.391  -9.205
  429   1HG2  VAL  58          1HG2      VAL  58   9.198 -12.006  -6.464
  430   2HG2  VAL  58          3HG2      VAL  58  10.794 -12.075  -5.762
  431   3HG2  VAL  58          2HG2      VAL  58  10.555 -11.266  -7.301
   
  No H/Q in entry =         431
  Start of MODEL   15
    1   1H    GLU   1          3H        GLU   1  -7.017 -13.892  -0.665
    2   2H    GLU   1          2H        GLU   1  -7.851 -15.367  -0.813
    3   3H    GLU   1          1H        GLU   1  -6.448 -15.311   0.045
    4    HA   GLU   1           HA       GLU   1  -5.303 -15.869  -1.726
    5   1HB   GLU   1          2HB       GLU   1  -7.840 -15.576  -3.415
    6   2HB   GLU   1          1HB       GLU   1  -6.491 -16.675  -3.677
    7   1HG   GLU   1          2HG       GLU   1  -8.762 -16.999  -1.682
    8   2HG   GLU   1          1HG       GLU   1  -7.867 -18.208  -2.565
    9    H    THR   2           H        THR   2  -3.796 -14.465  -2.231
   10    HA   THR   2           HA       THR   2  -2.608 -12.612  -3.086
   11    HB   THR   2           HB       THR   2  -2.842 -12.273  -5.628
   12    HG1  THR   2           HG1      THR   2  -5.320 -12.759  -4.845
   13   1HG2  THR   2          2HG2      THR   2  -3.845 -15.114  -5.051
   14   2HG2  THR   2          1HG2      THR   2  -3.051 -14.545  -6.505
   15   3HG2  THR   2          3HG2      THR   2  -2.141 -14.679  -5.015
   16    H    ASP   3           H        ASP   3  -4.728 -12.129  -1.747
   17    HA   ASP   3           HA       ASP   3  -6.624 -10.233  -2.021
   18   1HB   ASP   3          2HB       ASP   3  -4.561 -10.653   0.226
   19   2HB   ASP   3          1HB       ASP   3  -6.185 -10.002   0.433
   20    H    ILE   4           H        ILE   4  -3.950  -8.906  -0.566
   21    HA   ILE   4           HA       ILE   4  -4.260  -6.222  -1.198
   22    HB   ILE   4           HB       ILE   4  -2.747  -6.864   0.528
   23   1HG1  ILE   4          2HG1      ILE   4  -1.059  -5.602  -1.671
   24   2HG1  ILE   4          1HG1      ILE   4  -2.215  -4.760  -0.658
   25   1HG2  ILE   4          3HG2      ILE   4  -1.905  -9.049  -0.523
   26   2HG2  ILE   4          2HG2      ILE   4  -0.956  -8.105  -1.664
   27   3HG2  ILE   4          1HG2      ILE   4  -0.568  -8.083   0.039
   28   1HD1  ILE   4          1HD1      ILE   4  -0.921  -5.425   1.383
   29   2HD1  ILE   4          3HD1      ILE   4   0.274  -6.228   0.379
   30   3HD1  ILE   4          2HD1      ILE   4   0.079  -4.488   0.283
   31    H    CYS   5           H        CYS   5  -2.906  -8.594  -3.143
   32    HA   CYS   5           HA       CYS   5  -1.734  -6.841  -5.195
   33   1HB   CYS   5          2HB       CYS   5  -2.106  -9.816  -5.102
   34   2HB   CYS   5          1HB       CYS   5  -0.931  -8.964  -6.073
   35    H    LYS   6           H        LYS   6  -4.756  -7.699  -4.587
   36    HA   LYS   6           HA       LYS   6  -5.681  -7.630  -7.439
   37   1HB   LYS   6          2HB       LYS   6  -6.880  -8.960  -4.972
   38   2HB   LYS   6          1HB       LYS   6  -7.662  -8.952  -6.538
   39   1HG   LYS   6          2HG       LYS   6  -4.782  -9.935  -6.312
   40   2HG   LYS   6          1HG       LYS   6  -6.032 -10.965  -5.695
   41   1HD   LYS   6          2HD       LYS   6  -6.128  -9.765  -8.515
   42   2HD   LYS   6          1HD       LYS   6  -5.192 -11.208  -8.214
   43   1HE   LYS   6          2HE       LYS   6  -8.156 -10.906  -7.603
   44   2HE   LYS   6          1HE       LYS   6  -7.499 -11.717  -9.025
   45   1HZ   LYS   6          2HZ       LYS   6  -6.108 -12.672  -6.741
   46   2HZ   LYS   6          1HZ       LYS   6  -7.725 -12.764  -6.367
   47   3HZ   LYS   6          3HZ       LYS   6  -7.111 -13.572  -7.731
   48    H    LEU   7           H        LEU   7  -5.195  -5.613  -5.145
   49    HA   LEU   7           HA       LEU   7  -7.757  -4.259  -5.105
   50   1HB   LEU   7          2HB       LEU   7  -5.301  -3.673  -3.437
   51   2HB   LEU   7          1HB       LEU   7  -6.908  -3.054  -3.154
   52    HG   LEU   7           HG       LEU   7  -5.919  -5.910  -2.831
   53   1HD1  LEU   7          1HD1      LEU   7  -5.472  -4.300  -1.029
   54   2HD1  LEU   7          3HD1      LEU   7  -7.176  -3.912  -0.924
   55   3HD1  LEU   7          2HD1      LEU   7  -6.607  -5.511  -0.492
   56   1HD2  LEU   7          2HD2      LEU   7  -8.781  -4.836  -2.510
   57   2HD2  LEU   7          1HD2      LEU   7  -8.271  -5.933  -3.786
   58   3HD2  LEU   7          3HD2      LEU   7  -8.244  -6.463  -2.121
   59    HA   PRO   8           HA       PRO   8  -5.357  -1.964  -8.481
   60   1HB   PRO   8          2HB       PRO   8  -7.704  -0.906  -9.569
   61   2HB   PRO   8          1HB       PRO   8  -6.988  -2.456 -10.013
   62   1HG   PRO   8          2HG       PRO   8  -9.105  -1.908  -7.852
   63   2HG   PRO   8          1HG       PRO   8  -9.240  -3.041  -9.205
   64   1HD   PRO   8          2HD       PRO   8  -8.505  -4.024  -6.897
   65   2HD   PRO   8          1HD       PRO   8  -7.451  -4.463  -8.255
   66    H    LYS   9           H        LYS   9  -5.980   0.209  -9.361
   67    HA   LYS   9           HA       LYS   9  -4.817   2.225  -7.804
   68   1HB   LYS   9          2HB       LYS   9  -5.433   2.350 -10.320
   69   2HB   LYS   9          1HB       LYS   9  -7.053   2.807  -9.804
   70   1HG   LYS   9          2HG       LYS   9  -5.892   4.711  -8.426
   71   2HG   LYS   9          1HG       LYS   9  -4.448   4.323  -9.325
   72   1HD   LYS   9          2HD       LYS   9  -5.444   6.112 -10.481
   73   2HD   LYS   9          1HD       LYS   9  -5.725   4.705 -11.469
   74   1HE   LYS   9          2HE       LYS   9  -8.035   4.684 -11.098
   75   2HE   LYS   9          1HE       LYS   9  -7.873   5.352  -9.476
   76   1HZ   LYS   9          1HZ       LYS   9  -6.823   7.321 -10.990
   77   2HZ   LYS   9          3HZ       LYS   9  -8.221   6.895 -11.925
   78   3HZ   LYS   9          2HZ       LYS   9  -8.243   7.331 -10.289
   79    H    ASP  10           H        ASP  10  -5.489   2.072  -5.707
   80    HA   ASP  10           HA       ASP  10  -8.134   3.041  -4.862
   81   1HB   ASP  10          2HB       ASP  10  -7.275   0.997  -3.888
   82   2HB   ASP  10          1HB       ASP  10  -5.768   1.779  -3.418
   83    H    GLU  11           H        GLU  11  -7.699   5.141  -5.676
   84    HA   GLU  11           HA       GLU  11  -5.815   7.005  -4.528
   85   1HB   GLU  11          2HB       GLU  11  -8.452   7.416  -6.039
   86   2HB   GLU  11          1HB       GLU  11  -7.357   8.713  -5.616
   87   1HG   GLU  11          2HG       GLU  11  -5.560   7.874  -6.926
   88   2HG   GLU  11          1HG       GLU  11  -6.247   6.277  -7.065
   89    H    GLY  12           H        GLY  12  -9.197   6.304  -3.660
   90   1HA   GLY  12          2HA       GLY  12  -9.937   6.276  -1.321
   91   2HA   GLY  12          1HA       GLY  12  -8.753   7.508  -0.955
   92    H    THR  13           H        THR  13 -11.176   7.837   0.031
   93    HA   THR  13           HA       THR  13 -12.575   9.880  -1.687
   94    HB   THR  13           HB       THR  13 -14.541   9.486  -0.061
   95    HG1  THR  13           HG1      THR  13 -13.533   8.751   1.708
   96   1HG2  THR  13          3HG2      THR  13 -14.229   7.813  -2.065
   97   2HG2  THR  13          2HG2      THR  13 -13.305   6.826  -0.939
   98   3HG2  THR  13          1HG2      THR  13 -14.997   7.145  -0.630
   99    H    CYS  14           H        CYS  14 -10.351  10.718  -0.681
  100    HA   CYS  14           HA       CYS  14 -11.102  12.577   1.549
  101   1HB   CYS  14          2HB       CYS  14  -9.684  10.680   2.240
  102   2HB   CYS  14          1HB       CYS  14  -8.454  11.137   1.111
  103    H    ARG  15           H        ARG  15  -8.804  14.063   1.600
  104    HA   ARG  15           HA       ARG  15  -8.802  15.448  -1.088
  105   1HB   ARG  15          2HB       ARG  15 -10.093  16.480   0.914
  106   2HB   ARG  15          1HB       ARG  15  -8.518  16.907   1.553
  107   1HG   ARG  15          2HG       ARG  15  -8.257  17.816  -1.072
  108   2HG   ARG  15          1HG       ARG  15  -9.984  18.007  -0.858
  109   1HD   ARG  15          2HD       ARG  15  -8.958  20.093  -0.086
  110   2HD   ARG  15          1HD       ARG  15  -9.416  19.203   1.363
  111    HE   ARG  15           HE       ARG  15  -7.042  18.196   1.345
  112   1HH1  ARG  15          1HH2      ARG  15  -7.062  20.294  -1.014
  113   2HH1  ARG  15          2HH2      ARG  15  -5.613  21.132  -0.519
  114   1HH2  ARG  15          2HH1      ARG  15  -5.692  19.298   2.397
  115   2HH2  ARG  15          1HH1      ARG  15  -4.782  20.516   1.639
  116    H    ASP  16           H        ASP  16  -6.499  14.998   1.648
  117    HA   ASP  16           HA       ASP  16  -4.379  16.238   0.029
  118   1HB   ASP  16          2HB       ASP  16  -4.543  15.247   2.926
  119   2HB   ASP  16          1HB       ASP  16  -3.139  16.025   2.237
  120    H    PHE  17           H        PHE  17  -3.918  14.718  -1.574
  121    HA   PHE  17           HA       PHE  17  -3.221  11.922  -0.779
  122   1HB   PHE  17          2HB       PHE  17  -3.594  13.146  -3.529
  123   2HB   PHE  17          1HB       PHE  17  -3.178  11.476  -3.253
  124    HD1  PHE  17           HD2      PHE  17  -5.512  12.557  -0.710
  125    HD2  PHE  17           HD1      PHE  17  -5.220  11.251  -4.753
  126    HE1  PHE  17           HE2      PHE  17  -7.859  11.962  -0.692
  127    HE2  PHE  17           HE1      PHE  17  -7.585  10.651  -4.716
  128    HZ   PHE  17           HZ       PHE  17  -8.919  10.996  -2.695
  129    H    ILE  18           H        ILE  18  -1.475  10.892  -1.200
  130    HA   ILE  18           HA       ILE  18   1.063  12.323  -1.878
  131    HB   ILE  18           HB       ILE  18   2.139  10.976  -0.043
  132   1HG1  ILE  18          2HG1      ILE  18   0.440   9.534   1.389
  133   2HG1  ILE  18          1HG1      ILE  18  -0.506   9.475  -0.076
  134   1HG2  ILE  18          1HG2      ILE  18   0.873  12.981   0.665
  135   2HG2  ILE  18          3HG2      ILE  18  -0.556  12.001   0.906
  136   3HG2  ILE  18          2HG2      ILE  18   0.858  11.738   1.901
  137   1HD1  ILE  18          3HD1      ILE  18   2.393   8.585   0.128
  138   2HD1  ILE  18          2HD1      ILE  18   0.996   7.521   0.117
  139   3HD1  ILE  18          1HD1      ILE  18   1.387   8.454  -1.311
  140    H    LEU  19           H        LEU  19   2.757  10.858  -2.908
  141    HA   LEU  19           HA       LEU  19   1.461   9.054  -4.820
  142   1HB   LEU  19          2HB       LEU  19   2.657  10.787  -5.782
  143   2HB   LEU  19          1HB       LEU  19   3.939  10.716  -4.622
  144    HG   LEU  19           HG       LEU  19   4.756   8.560  -5.562
  145   1HD1  LEU  19          1HD1      LEU  19   2.654   8.992  -7.765
  146   2HD1  LEU  19          3HD1      LEU  19   3.886   7.736  -7.769
  147   3HD1  LEU  19          2HD1      LEU  19   2.620   7.696  -6.595
  148   1HD2  LEU  19          3HD2      LEU  19   5.667  10.681  -6.471
  149   2HD2  LEU  19          2HD2      LEU  19   5.635   9.460  -7.719
  150   3HD2  LEU  19          1HD2      LEU  19   4.402  10.718  -7.687
  151    H    LYS  20           H        LYS  20   1.832   6.933  -5.009
  152    HA   LYS  20           HA       LYS  20   4.087   5.618  -3.627
  153   1HB   LYS  20          2HB       LYS  20   1.118   5.126  -3.025
  154   2HB   LYS  20          1HB       LYS  20   2.279   3.871  -2.665
  155   1HG   LYS  20          2HG       LYS  20   2.493   6.709  -1.571
  156   2HG   LYS  20          1HG       LYS  20   1.693   5.413  -0.712
  157   1HD   LYS  20          2HD       LYS  20   3.659   4.080  -0.558
  158   2HD   LYS  20          1HD       LYS  20   4.535   5.049  -1.720
  159   1HE   LYS  20          2HE       LYS  20   3.751   5.997   1.032
  160   2HE   LYS  20          1HE       LYS  20   5.332   5.355   0.590
  161   1HZ   LYS  20          1HZ       LYS  20   4.533   7.311  -1.360
  162   2HZ   LYS  20          3HZ       LYS  20   4.390   8.001   0.157
  163   3HZ   LYS  20          2HZ       LYS  20   5.872   7.366  -0.348
  164    H    TRP  21           H        TRP  21   3.897   3.056  -3.983
  165    HA   TRP  21           HA       TRP  21   3.449   2.596  -6.891
  166   1HB   TRP  21          2HB       TRP  21   5.259   1.167  -4.855
  167   2HB   TRP  21          1HB       TRP  21   4.997   0.561  -6.472
  168    HD1  TRP  21           HD1      TRP  21   6.707   3.464  -4.582
  169    HE1  TRP  21           HE1      TRP  21   8.335   4.473  -6.271
  170    HE3  TRP  21           HE3      TRP  21   5.498   0.834  -8.662
  171    HZ2  TRP  21           HZ2      TRP  21   9.141   4.156  -9.012
  172    HZ3  TRP  21           HZ3      TRP  21   6.690   1.119 -10.812
  173    HH2  TRP  21           HH2      TRP  21   8.510   2.775 -11.000
  174    H    TYR  22           H        TYR  22   2.028   0.945  -7.429
  175    HA   TYR  22           HA       TYR  22   0.865  -0.733  -5.218
  176   1HB   TYR  22          2HB       TYR  22  -1.247   0.170  -5.637
  177   2HB   TYR  22          1HB       TYR  22  -0.359   1.480  -6.366
  178    HD1  TYR  22           HD1      TYR  22  -1.870  -1.769  -7.222
  179    HD2  TYR  22           HD2      TYR  22  -0.826   2.091  -8.657
  180    HE1  TYR  22           HE1      TYR  22  -3.073  -2.248  -9.330
  181    HE2  TYR  22           HE2      TYR  22  -2.062   1.552 -10.786
  182    HH   TYR  22           HH       TYR  22  -2.829  -1.048 -11.947
  183    H    TYR  23           H        TYR  23  -0.054  -2.676  -6.008
  184    HA   TYR  23           HA       TYR  23   1.482  -3.814  -8.274
  185   1HB   TYR  23          2HB       TYR  23   1.299  -4.839  -6.015
  186   2HB   TYR  23          1HB       TYR  23  -0.403  -5.101  -6.331
  187    HD1  TYR  23           HD2      TYR  23   2.971  -5.930  -7.627
  188    HD2  TYR  23           HD1      TYR  23  -1.128  -6.981  -7.552
  189    HE1  TYR  23           HE2      TYR  23   3.488  -8.093  -8.691
  190    HE2  TYR  23           HE1      TYR  23  -0.622  -9.139  -8.612
  191    HH   TYR  23           HH       TYR  23   2.078 -10.410  -8.354
  192    H    ASP  24           H        ASP  24   0.731  -3.937 -10.203
  193    HA   ASP  24           HA       ASP  24  -2.159  -3.764 -10.794
  194   1HB   ASP  24          2HB       ASP  24  -0.692  -2.056 -11.587
  195   2HB   ASP  24          1HB       ASP  24   0.304  -3.244 -12.455
  196    HA   PRO  25           HA       PRO  25  -1.488  -8.327 -11.648
  197   1HB   PRO  25          2HB       PRO  25  -4.202  -8.863 -11.644
  198   2HB   PRO  25          1HB       PRO  25  -3.205  -8.831 -10.182
  199   1HG   PRO  25          2HG       PRO  25  -4.695  -6.444 -11.423
  200   2HG   PRO  25          1HG       PRO  25  -4.940  -7.102  -9.783
  201   1HD   PRO  25          2HD       PRO  25  -3.328  -5.071 -10.013
  202   2HD   PRO  25          1HD       PRO  25  -2.635  -6.468  -9.167
  203    H    ASN  26           H        ASN  26  -2.096  -5.860 -13.602
  204    HA   ASN  26           HA       ASN  26  -3.155  -7.393 -15.961
  205   1HB   ASN  26          2HB       ASN  26  -3.702  -4.792 -15.084
  206   2HB   ASN  26          1HB       ASN  26  -2.352  -4.478 -16.138
  207   1HD2  ASN  26          2HD2      ASN  26  -5.775  -4.832 -17.857
  208   2HD2  ASN  26          1HD2      ASN  26  -5.581  -4.457 -16.196
  209    H    THR  27           H        THR  27  -0.438  -5.589 -14.758
  210    HA   THR  27           HA       THR  27   1.384  -6.488 -16.991
  211    HB   THR  27           HB       THR  27   3.120  -4.976 -15.979
  212    HG1  THR  27           HG1      THR  27   3.000  -4.684 -13.860
  213   1HG2  THR  27          2HG2      THR  27   1.115  -3.609 -16.931
  214   2HG2  THR  27          1HG2      THR  27   0.458  -3.647 -15.307
  215   3HG2  THR  27          3HG2      THR  27   1.971  -2.831 -15.602
  216    H    LYS  28           H        LYS  28   0.749  -6.667 -13.726
  217    HA   LYS  28           HA       LYS  28   0.876  -8.128 -12.097
  218   1HB   LYS  28          2HB       LYS  28   1.117  -9.808 -14.229
  219   2HB   LYS  28          1HB       LYS  28   2.780  -9.922 -13.732
  220   1HG   LYS  28          2HG       LYS  28   1.344 -10.252 -11.311
  221   2HG   LYS  28          1HG       LYS  28   0.242 -10.905 -12.457
  222   1HD   LYS  28          2HD       LYS  28   1.700 -12.828 -11.648
  223   2HD   LYS  28          1HD       LYS  28   1.970 -12.540 -13.342
  224   1HE   LYS  28          2HE       LYS  28   4.072 -12.888 -12.064
  225   2HE   LYS  28          1HE       LYS  28   4.033 -11.358 -12.924
  226   1HZ   LYS  28          1HZ       LYS  28   2.850 -10.886 -10.403
  227   2HZ   LYS  28          3HZ       LYS  28   4.299 -11.704 -10.097
  228   3HZ   LYS  28          2HZ       LYS  28   4.220 -10.267 -10.997
  229    H    SER  29           H        SER  29   2.528  -6.028 -12.533
  230    HA   SER  29           HA       SER  29   4.745  -6.617 -10.663
  231   1HB   SER  29          2HB       SER  29   6.301  -5.237 -12.118
  232   2HB   SER  29          1HB       SER  29   5.474  -6.363 -13.190
  233    HG   SER  29           HG       SER  29   5.145  -3.623 -13.079
  234    H    CYS  30           H        CYS  30   5.327  -3.597 -10.772
  235    HA   CYS  30           HA       CYS  30   2.787  -2.618  -9.557
  236   1HB   CYS  30          2HB       CYS  30   5.618  -2.171  -8.568
  237   2HB   CYS  30          1HB       CYS  30   4.155  -1.576  -7.834
  238    H    ALA  31           H        ALA  31   2.350  -0.481  -9.698
  239    HA   ALA  31           HA       ALA  31   3.868   1.191 -11.639
  240   1HB   ALA  31          2HB       ALA  31   0.825   0.762 -11.432
  241   2HB   ALA  31          1HB       ALA  31   1.591   1.853 -12.579
  242   3HB   ALA  31          3HB       ALA  31   1.845   0.121 -12.699
  243    H    ARG  32           H        ARG  32   2.959   3.476 -11.374
  244    HA   ARG  32           HA       ARG  32   3.013   4.181  -8.527
  245   1HB   ARG  32          2HB       ARG  32   3.733   5.582 -11.041
  246   2HB   ARG  32          1HB       ARG  32   3.908   6.362  -9.462
  247   1HG   ARG  32          2HG       ARG  32   5.546   4.586  -8.795
  248   2HG   ARG  32          1HG       ARG  32   5.267   3.726 -10.281
  249   1HD   ARG  32          2HD       ARG  32   7.281   4.925 -10.671
  250   2HD   ARG  32          1HD       ARG  32   6.039   5.805 -11.547
  251    HE   ARG  32           HE       ARG  32   6.900   6.608  -8.749
  252   1HH1  ARG  32          2HH1      ARG  32   4.779   8.014  -9.458
  253   2HH1  ARG  32          1HH1      ARG  32   5.327   9.445 -10.265
  254   1HH2  ARG  32          1HH2      ARG  32   8.332   7.788 -10.818
  255   2HH2  ARG  32          2HH2      ARG  32   7.549   9.308 -11.110
  256    H    PHE  33           H        PHE  33   1.499   5.440  -7.517
  257    HA   PHE  33           HA       PHE  33  -0.429   6.989  -9.166
  258   1HB   PHE  33          2HB       PHE  33  -2.422   5.752  -8.389
  259   2HB   PHE  33          1HB       PHE  33  -1.266   4.636  -9.064
  260    HD1  PHE  33           HD2      PHE  33   0.199   5.057  -5.959
  261    HD2  PHE  33           HD1      PHE  33  -3.324   3.587  -7.799
  262    HE1  PHE  33           HE2      PHE  33  -0.145   3.513  -4.100
  263    HE2  PHE  33           HE1      PHE  33  -3.673   2.028  -5.923
  264    HZ   PHE  33           HZ       PHE  33  -2.110   1.988  -4.104
  265    H    TRP  34           H        TRP  34  -2.051   8.165  -7.890
  266    HA   TRP  34           HA       TRP  34  -0.813   9.480  -5.514
  267   1HB   TRP  34          2HB       TRP  34  -2.694  10.407  -7.787
  268   2HB   TRP  34          1HB       TRP  34  -2.583  11.385  -6.413
  269    HD1  TRP  34           HD1      TRP  34  -1.251  10.904  -9.441
  270    HE1  TRP  34           HE1      TRP  34   0.962  12.288  -9.687
  271    HE3  TRP  34           HE3      TRP  34  -0.397  11.890  -4.693
  272    HZ2  TRP  34           HZ2      TRP  34   2.810  13.660  -8.011
  273    HZ3  TRP  34           HZ3      TRP  34   1.517  13.279  -3.944
  274    HH2  TRP  34           HH2      TRP  34   3.138  14.147  -5.598
  275    H    TYR  35           H        TYR  35  -1.747   8.758  -3.521
  276    HA   TYR  35           HA       TYR  35  -4.744   8.797  -3.416
  277   1HB   TYR  35          2HB       TYR  35  -4.926   6.629  -2.765
  278   2HB   TYR  35          1HB       TYR  35  -3.446   6.432  -3.655
  279    HD1  TYR  35           HD1      TYR  35  -1.214   6.800  -2.097
  280    HD2  TYR  35           HD2      TYR  35  -5.126   5.912  -0.696
  281    HE1  TYR  35           HE1      TYR  35  -0.277   5.879   0.016
  282    HE2  TYR  35           HE2      TYR  35  -4.178   5.027   1.383
  283    HH   TYR  35           HH       TYR  35  -1.240   5.548   2.442
  284    H    GLY  36           H        GLY  36  -5.639   8.610  -1.274
  285   1HA   GLY  36          2HA       GLY  36  -4.149  10.366   0.695
  286   2HA   GLY  36          1HA       GLY  36  -5.899  10.251   0.602
  287    H    GLY  37           H        GLY  37  -4.089   9.879   2.844
  288   1HA   GLY  37          2HA       GLY  37  -4.492   6.963   3.526
  289   2HA   GLY  37          1HA       GLY  37  -3.451   8.055   4.414
  290    H    CYS  38           H        CYS  38  -6.729   8.562   3.483
  291    HA   CYS  38           HA       CYS  38  -7.570   8.664   6.367
  292   1HB   CYS  38          2HB       CYS  38  -9.276  10.191   4.578
  293   2HB   CYS  38          1HB       CYS  38  -8.336  10.749   5.928
  294    H    GLY  39           H        GLY  39  -7.605   6.312   4.918
  295   1HA   GLY  39          2HA       GLY  39  -9.468   4.585   5.451
  296   2HA   GLY  39          1HA       GLY  39 -10.561   5.687   4.653
  297    H    GLY  40           H        GLY  40  -7.696   3.776   3.946
  298   1HA   GLY  40          2HA       GLY  40  -8.916   2.855   1.351
  299   2HA   GLY  40          1HA       GLY  40  -7.275   3.460   1.334
  300    H    ASN  41           H        ASN  41  -6.945   1.257   0.432
  301    HA   ASN  41           HA       ASN  41  -6.964  -1.017   2.379
  302   1HB   ASN  41          2HB       ASN  41  -6.383  -2.401   0.398
  303   2HB   ASN  41          1HB       ASN  41  -7.725  -1.348  -0.024
  304   1HD2  ASN  41          2HD2      ASN  41  -5.950  -0.261  -2.796
  305   2HD2  ASN  41          1HD2      ASN  41  -7.422  -0.772  -2.152
  306    H    GLU  42           H        GLU  42  -4.609  -2.410   1.386
  307    HA   GLU  42           HA       GLU  42  -2.569  -0.832   2.856
  308   1HB   GLU  42          2HB       GLU  42  -1.822  -3.525   1.670
  309   2HB   GLU  42          1HB       GLU  42  -1.483  -2.864   3.234
  310   1HG   GLU  42          2HG       GLU  42  -3.008  -4.712   3.630
  311   2HG   GLU  42          1HG       GLU  42  -4.022  -3.293   3.783
  312    H    ASN  43           H        ASN  43  -2.652  -2.744  -0.087
  313    HA   ASN  43           HA       ASN  43  -0.626  -2.439  -1.680
  314   1HB   ASN  43          2HB       ASN  43  -2.560  -3.381  -2.398
  315   2HB   ASN  43          1HB       ASN  43  -3.519  -1.919  -2.365
  316   1HD2  ASN  43          2HD2      ASN  43  -2.788  -1.378  -5.731
  317   2HD2  ASN  43          1HD2      ASN  43  -3.907  -1.223  -4.479
  318    H    LYS  44           H        LYS  44   0.000  -0.380  -0.424
  319    HA   LYS  44           HA       LYS  44   0.657   1.654  -2.486
  320   1HB   LYS  44          2HB       LYS  44  -0.519   2.244   0.302
  321   2HB   LYS  44          1HB       LYS  44   0.251   3.475  -0.647
  322   1HG   LYS  44          2HG       LYS  44  -1.958   3.879  -1.400
  323   2HG   LYS  44          1HG       LYS  44  -1.319   2.816  -2.571
  324   1HD   LYS  44          2HD       LYS  44  -3.458   1.884  -2.295
  325   2HD   LYS  44          1HD       LYS  44  -2.620   0.884  -1.148
  326   1HE   LYS  44          2HE       LYS  44  -4.157   3.385  -0.513
  327   2HE   LYS  44          1HE       LYS  44  -4.647   1.731  -0.210
  328   1HZ   LYS  44          2HZ       LYS  44  -2.114   1.739   0.704
  329   2HZ   LYS  44          1HZ       LYS  44  -2.622   3.243   1.301
  330   3HZ   LYS  44          3HZ       LYS  44  -3.451   1.790   1.670
  331    H    PHE  45           H        PHE  45   2.634   0.912  -2.620
  332    HA   PHE  45           HA       PHE  45   4.420   0.706  -0.248
  333   1HB   PHE  45          2HB       PHE  45   4.830  -0.150  -3.157
  334   2HB   PHE  45          1HB       PHE  45   5.837  -0.573  -1.792
  335    HD1  PHE  45           HD1      PHE  45   4.893  -1.964   0.023
  336    HD2  PHE  45           HD2      PHE  45   2.805  -1.451  -3.642
  337    HE1  PHE  45           HE1      PHE  45   3.587  -4.003   0.497
  338    HE2  PHE  45           HE2      PHE  45   1.501  -3.482  -3.178
  339    HZ   PHE  45           HZ       PHE  45   1.869  -4.751  -1.127
  340    H    GLY  46           H        GLY  46   6.547   1.538  -0.360
  341   1HA   GLY  46          2HA       GLY  46   6.753   4.334  -1.266
  342   2HA   GLY  46          1HA       GLY  46   7.996   3.413  -0.412
  343    H    SER  47           H        SER  47   8.113   1.341  -2.235
  344    HA   SER  47           HA       SER  47   9.193   2.568  -4.717
  345   1HB   SER  47          2HB       SER  47  11.291   1.300  -4.558
  346   2HB   SER  47          1HB       SER  47  11.038   2.052  -2.974
  347    HG   SER  47           HG       SER  47  10.015   0.180  -2.267
  348    H    GLN  48           H        GLN  48   9.509   1.224  -6.532
  349    HA   GLN  48           HA       GLN  48   7.376  -0.585  -7.023
  350   1HB   GLN  48          2HB       GLN  48   8.822   0.568  -8.806
  351   2HB   GLN  48          1HB       GLN  48  10.093  -0.574  -8.462
  352   1HG   GLN  48          2HG       GLN  48   8.290  -2.471  -8.962
  353   2HG   GLN  48          1HG       GLN  48   7.327  -1.170  -9.628
  354   1HE2  GLN  48          2HE2      GLN  48   9.968  -2.780 -11.949
  355   2HE2  GLN  48          1HE2      GLN  48   9.395  -3.525 -10.520
  356    H    LYS  49           H        LYS  49  10.740  -1.294  -6.308
  357    HA   LYS  49           HA       LYS  49  10.406  -4.102  -6.316
  358   1HB   LYS  49          2HB       LYS  49  12.602  -2.300  -6.033
  359   2HB   LYS  49          1HB       LYS  49  12.467  -2.909  -4.410
  360   1HG   LYS  49          2HG       LYS  49  14.009  -4.405  -5.360
  361   2HG   LYS  49          1HG       LYS  49  12.528  -5.311  -5.502
  362   1HD   LYS  49          2HD       LYS  49  13.762  -3.561  -7.723
  363   2HD   LYS  49          1HD       LYS  49  13.987  -5.279  -7.652
  364   1HE   LYS  49          2HE       LYS  49  11.329  -3.866  -8.174
  365   2HE   LYS  49          1HE       LYS  49  12.312  -4.696  -9.354
  366   1HZ   LYS  49          3HZ       LYS  49  11.906  -6.514  -7.183
  367   2HZ   LYS  49          2HZ       LYS  49  10.420  -5.823  -7.659
  368   3HZ   LYS  49          1HZ       LYS  49  11.320  -6.585  -8.775
  369    H    GLU  50           H        GLU  50  10.068  -1.886  -3.546
  370    HA   GLU  50           HA       GLU  50   9.709  -3.731  -1.523
  371   1HB   GLU  50          2HB       GLU  50   9.881  -1.444  -1.229
  372   2HB   GLU  50          1HB       GLU  50   8.532  -1.122  -2.308
  373   1HG   GLU  50          2HG       GLU  50   7.007  -2.175  -0.510
  374   2HG   GLU  50          1HG       GLU  50   8.388  -2.132   0.566
  375    H    CYS  51           H        CYS  51   7.249  -2.305  -3.519
  376    HA   CYS  51           HA       CYS  51   4.956  -3.841  -2.925
  377   1HB   CYS  51          2HB       CYS  51   4.957  -1.802  -4.325
  378   2HB   CYS  51          1HB       CYS  51   5.895  -2.602  -5.533
  379    H    GLU  52           H        GLU  52   7.179  -4.413  -5.571
  380    HA   GLU  52           HA       GLU  52   6.107  -6.919  -6.479
  381   1HB   GLU  52          2HB       GLU  52   7.658  -5.072  -7.464
  382   2HB   GLU  52          1HB       GLU  52   8.932  -5.689  -6.448
  383   1HG   GLU  52          2HG       GLU  52   9.009  -7.790  -7.842
  384   2HG   GLU  52          1HG       GLU  52   7.562  -7.295  -8.691
  385    H    LYS  53           H        LYS  53   8.651  -6.371  -4.051
  386    HA   LYS  53           HA       LYS  53   9.098  -9.122  -3.606
  387   1HB   LYS  53          2HB       LYS  53  10.413  -7.180  -2.595
  388   2HB   LYS  53          1HB       LYS  53   9.028  -6.786  -1.595
  389   1HG   LYS  53          2HG       LYS  53   9.182  -9.116  -0.542
  390   2HG   LYS  53          1HG       LYS  53  10.683  -9.371  -1.384
  391   1HD   LYS  53          2HD       LYS  53  10.097  -7.090   0.588
  392   2HD   LYS  53          1HD       LYS  53  10.958  -8.558   1.011
  393   1HE   LYS  53          2HE       LYS  53  12.759  -7.989  -0.600
  394   2HE   LYS  53          1HE       LYS  53  11.893  -6.524  -1.065
  395   1HZ   LYS  53          3HZ       LYS  53  11.991  -6.616   1.752
  396   2HZ   LYS  53          2HZ       LYS  53  13.570  -6.893   1.214
  397   3HZ   LYS  53          1HZ       LYS  53  12.746  -5.483   0.754
  398    H    VAL  54           H        VAL  54   6.389  -7.223  -2.597
  399    HA   VAL  54           HA       VAL  54   5.279  -9.294  -0.826
  400    HB   VAL  54           HB       VAL  54   4.428  -6.508  -1.768
  401   1HG1  VAL  54          1HG1      VAL  54   3.016  -8.353   0.258
  402   2HG1  VAL  54          3HG1      VAL  54   2.571  -6.687  -0.075
  403   3HG1  VAL  54          2HG1      VAL  54   2.361  -7.911  -1.309
  404   1HG2  VAL  54          1HG2      VAL  54   5.283  -7.614   0.947
  405   2HG2  VAL  54          3HG2      VAL  54   6.265  -6.627  -0.126
  406   3HG2  VAL  54          2HG2      VAL  54   4.835  -5.946   0.617
  407    H    CYS  55           H        CYS  55   4.334  -7.863  -3.904
  408    HA   CYS  55           HA       CYS  55   2.334 -10.063  -4.285
  409   1HB   CYS  55          2HB       CYS  55   2.769  -7.396  -5.567
  410   2HB   CYS  55          1HB       CYS  55   1.548  -8.543  -6.110
  411    H    ALA  56           H        ALA  56   5.408  -9.513  -5.309
  412    HA   ALA  56           HA       ALA  56   5.258 -11.457  -7.605
  413   1HB   ALA  56          2HB       ALA  56   5.914  -9.045  -8.256
  414   2HB   ALA  56          1HB       ALA  56   7.245  -9.192  -7.127
  415   3HB   ALA  56          3HB       ALA  56   7.225 -10.212  -8.522
  416    HA   PRO  57           HA       PRO  57   8.155 -13.131  -4.325
  417   1HB   PRO  57          2HB       PRO  57   6.667 -14.968  -3.035
  418   2HB   PRO  57          1HB       PRO  57   6.430 -13.245  -2.677
  419   1HG   PRO  57          2HG       PRO  57   4.907 -14.902  -4.781
  420   2HG   PRO  57          1HG       PRO  57   4.195 -14.081  -3.380
  421   1HD   PRO  57          2HD       PRO  57   4.291 -12.790  -5.756
  422   2HD   PRO  57          1HD       PRO  57   4.706 -11.903  -4.261
  423    H    VAL  58           HN       VAL  58   9.073 -15.291  -4.176
  424    HA   VAL  58           HA       VAL  58   8.618 -17.145  -6.422
  425    HB   VAL  58           HB       VAL  58  11.298 -16.034  -5.466
  426   1HG1  VAL  58          3HG1      VAL  58  10.609 -17.803  -7.850
  427   2HG1  VAL  58          2HG1      VAL  58  12.229 -17.200  -7.498
  428   3HG1  VAL  58          1HG1      VAL  58  11.431 -18.309  -6.390
  429   1HG2  VAL  58          3HG2      VAL  58   9.789 -15.441  -8.064
  430   2HG2  VAL  58          2HG2      VAL  58  10.047 -14.292  -6.769
  431   3HG2  VAL  58          1HG2      VAL  58  11.414 -14.859  -7.715
   
  No H/Q in entry =         431
  Start of MODEL   16
    1   1H    GLU   1          2H        GLU   1  -7.916 -14.362  -3.583
    2   2H    GLU   1          1H        GLU   1  -8.653 -15.889  -3.670
    3   3H    GLU   1          3H        GLU   1  -9.538 -14.526  -4.052
    4    HA   GLU   1           HA       GLU   1 -10.154 -14.177  -1.970
    5   1HB   GLU   1          2HB       GLU   1  -8.587 -16.826  -1.559
    6   2HB   GLU   1          1HB       GLU   1  -9.738 -16.204  -0.397
    7   1HG   GLU   1          2HG       GLU   1 -10.643 -18.030  -2.169
    8   2HG   GLU   1          1HG       GLU   1 -11.685 -16.653  -1.949
    9    H    THR   2           H        THR   2  -9.290 -12.902  -0.081
   10    HA   THR   2           HA       THR   2  -7.600 -11.425   0.772
   11    HB   THR   2           HB       THR   2  -5.654 -12.856   1.884
   12    HG1  THR   2           HG1      THR   2  -6.116 -14.464   0.084
   13   1HG2  THR   2          2HG2      THR   2  -8.433 -14.070   2.225
   14   2HG2  THR   2          1HG2      THR   2  -7.093 -14.134   3.348
   15   3HG2  THR   2          3HG2      THR   2  -7.931 -12.611   3.083
   16    H    ASP   3           H        ASP   3  -7.594 -11.451  -1.718
   17    HA   ASP   3           HA       ASP   3  -5.101 -11.798  -3.090
   18   1HB   ASP   3          2HB       ASP   3  -7.466 -10.100  -3.967
   19   2HB   ASP   3          1HB       ASP   3  -6.295 -11.027  -4.916
   20    H    ILE   4           H        ILE   4  -4.219 -10.384  -1.144
   21    HA   ILE   4           HA       ILE   4  -4.308  -7.595  -1.119
   22    HB   ILE   4           HB       ILE   4  -2.230  -7.545   0.021
   23   1HG1  ILE   4          2HG1      ILE   4  -0.762  -9.844  -0.094
   24   2HG1  ILE   4          1HG1      ILE   4  -1.399  -9.839  -1.723
   25   1HG2  ILE   4          2HG2      ILE   4  -3.884  -8.829   1.290
   26   2HG2  ILE   4          1HG2      ILE   4  -3.358 -10.334   0.545
   27   3HG2  ILE   4          3HG2      ILE   4  -2.277  -9.451   1.600
   28   1HD1  ILE   4          3HD1      ILE   4  -0.574  -7.443  -2.006
   29   2HD1  ILE   4          2HD1      ILE   4   0.036  -7.489  -0.367
   30   3HD1  ILE   4          1HD1      ILE   4   0.734  -8.531  -1.591
   31    H    CYS   5           H        CYS   5  -2.916  -9.506  -3.467
   32    HA   CYS   5           HA       CYS   5  -1.381  -7.439  -4.917
   33   1HB   CYS   5          2HB       CYS   5  -2.054 -10.294  -5.593
   34   2HB   CYS   5          1HB       CYS   5  -0.992  -9.287  -6.533
   35    H    LYS   6           H        LYS   6  -4.538  -8.324  -4.911
   36    HA   LYS   6           HA       LYS   6  -5.144  -7.277  -7.654
   37   1HB   LYS   6          2HB       LYS   6  -6.550  -9.299  -5.887
   38   2HB   LYS   6          1HB       LYS   6  -7.284  -8.685  -7.358
   39   1HG   LYS   6          2HG       LYS   6  -5.531  -9.666  -8.765
   40   2HG   LYS   6          1HG       LYS   6  -4.550 -10.055  -7.382
   41   1HD   LYS   6          2HD       LYS   6  -5.731 -12.045  -8.429
   42   2HD   LYS   6          1HD       LYS   6  -5.972 -11.920  -6.724
   43   1HE   LYS   6          2HE       LYS   6  -8.008 -10.897  -8.742
   44   2HE   LYS   6          1HE       LYS   6  -8.004 -12.558  -8.139
   45   1HZ   LYS   6          2HZ       LYS   6  -7.671 -10.856  -5.958
   46   2HZ   LYS   6          1HZ       LYS   6  -9.041 -10.278  -6.747
   47   3HZ   LYS   6          3HZ       LYS   6  -8.892 -11.896  -6.194
   48    H    LEU   7           H        LEU   7  -4.769  -5.755  -5.210
   49    HA   LEU   7           HA       LEU   7  -7.427  -4.789  -4.657
   50   1HB   LEU   7          2HB       LEU   7  -4.813  -3.929  -3.391
   51   2HB   LEU   7          1HB       LEU   7  -6.417  -3.553  -2.822
   52    HG   LEU   7           HG       LEU   7  -5.230  -6.349  -2.878
   53   1HD1  LEU   7          3HD1      LEU   7  -5.862  -4.377  -0.626
   54   2HD1  LEU   7          2HD1      LEU   7  -5.279  -5.997  -0.370
   55   3HD1  LEU   7          1HD1      LEU   7  -4.255  -4.817  -1.171
   56   1HD2  LEU   7          2HD2      LEU   7  -7.868  -5.290  -1.731
   57   2HD2  LEU   7          1HD2      LEU   7  -7.726  -6.320  -3.148
   58   3HD2  LEU   7          3HD2      LEU   7  -7.267  -6.934  -1.580
   59    HA   PRO   8           HA       PRO   8  -6.904  -1.844  -8.008
   60   1HB   PRO   8          2HB       PRO   8  -8.956  -0.097  -7.162
   61   2HB   PRO   8          1HB       PRO   8  -9.178  -1.554  -8.143
   62   1HG   PRO   8          2HG       PRO   8  -9.331  -1.203  -5.106
   63   2HG   PRO   8          1HG       PRO   8 -10.501  -1.994  -6.157
   64   1HD   PRO   8          2HD       PRO   8  -8.798  -3.434  -4.799
   65   2HD   PRO   8          1HD       PRO   8  -8.993  -3.888  -6.514
   66    H    LYS   9           H        LYS   9  -7.360   0.502  -8.255
   67    HA   LYS   9           HA       LYS   9  -5.055   2.016  -7.095
   68   1HB   LYS   9          2HB       LYS   9  -6.844   2.515  -9.555
   69   2HB   LYS   9          1HB       LYS   9  -5.484   3.523  -9.130
   70   1HG   LYS   9          2HG       LYS   9  -3.917   1.653  -9.450
   71   2HG   LYS   9          1HG       LYS   9  -5.246   0.537  -9.721
   72   1HD   LYS   9          2HD       LYS   9  -5.887   1.752 -11.821
   73   2HD   LYS   9          1HD       LYS   9  -4.697   2.988 -11.495
   74   1HE   LYS   9          2HE       LYS   9  -3.855   1.506 -13.262
   75   2HE   LYS   9          1HE       LYS   9  -2.856   1.351 -11.837
   76   1HZ   LYS   9          1HZ       LYS   9  -4.898  -0.638 -11.586
   77   2HZ   LYS   9          3HZ       LYS   9  -4.099  -0.799 -13.113
   78   3HZ   LYS   9          2HZ       LYS   9  -3.314  -0.783 -11.775
   79    H    ASP  10           H        ASP  10  -6.353   2.211  -5.082
   80    HA   ASP  10           HA       ASP  10  -8.655   4.061  -5.194
   81   1HB   ASP  10          2HB       ASP  10  -7.706   3.122  -2.555
   82   2HB   ASP  10          1HB       ASP  10  -9.316   3.126  -3.191
   83    H    GLU  11           H        GLU  11  -8.936   5.515  -3.436
   84    HA   GLU  11           HA       GLU  11  -6.614   7.034  -2.478
   85   1HB   GLU  11          2HB       GLU  11  -7.767   9.241  -3.615
   86   2HB   GLU  11          1HB       GLU  11  -7.235   8.073  -4.784
   87   1HG   GLU  11          2HG       GLU  11  -9.350   8.347  -5.612
   88   2HG   GLU  11          1HG       GLU  11  -9.823   7.164  -4.429
   89    H    GLY  12           H        GLY  12 -10.030   7.808  -2.384
   90   1HA   GLY  12          2HA       GLY  12 -11.497   7.800  -0.432
   91   2HA   GLY  12          1HA       GLY  12 -10.078   7.790   0.621
   92    H    THR  13           H        THR  13 -10.136   9.786  -2.045
   93    HA   THR  13           HA       THR  13  -9.872  12.056  -2.401
   94    HB   THR  13           HB       THR  13 -11.830  13.417  -1.861
   95    HG1  THR  13           HG1      THR  13 -12.233  11.355   0.024
   96   1HG2  THR  13          3HG2      THR  13 -12.761  10.490  -1.737
   97   2HG2  THR  13          2HG2      THR  13 -13.736  11.865  -2.216
   98   3HG2  THR  13          1HG2      THR  13 -12.394  11.325  -3.212
   99    H    CYS  14           H        CYS  14  -8.611  10.929   0.014
  100    HA   CYS  14           HA       CYS  14  -8.168  11.968   2.321
  101   1HB   CYS  14          2HB       CYS  14  -6.203  11.610   0.116
  102   2HB   CYS  14          1HB       CYS  14  -5.652  12.124   1.687
  103    H    ARG  15           H        ARG  15  -7.160  13.969  -0.224
  104    HA   ARG  15           HA       ARG  15  -7.332  16.482  -0.396
  105   1HB   ARG  15          2HB       ARG  15  -7.084  16.409   2.680
  106   2HB   ARG  15          1HB       ARG  15  -6.880  17.843   1.737
  107   1HG   ARG  15          2HG       ARG  15  -9.201  18.014   2.369
  108   2HG   ARG  15          1HG       ARG  15  -9.303  17.394   0.729
  109   1HD   ARG  15          2HD       ARG  15  -9.286  15.153   1.636
  110   2HD   ARG  15          1HD       ARG  15  -9.376  15.733   3.287
  111    HE   ARG  15           HE       ARG  15 -11.750  16.652   2.383
  112   1HH1  ARG  15          2HH1      ARG  15 -12.561  15.890   0.056
  113   2HH1  ARG  15          1HH1      ARG  15 -12.609  14.130   0.065
  114   1HH2  ARG  15          1HH2      ARG  15 -10.878  13.721   2.790
  115   2HH2  ARG  15          2HH2      ARG  15 -11.738  12.996   1.451
  116    H    ASP  16           H        ASP  16  -5.044  14.714   1.600
  117    HA   ASP  16           HA       ASP  16  -2.784  16.362   0.665
  118   1HB   ASP  16          2HB       ASP  16  -1.598  15.068   2.547
  119   2HB   ASP  16          1HB       ASP  16  -3.112  15.727   3.172
  120    H    PHE  17           H        PHE  17  -4.217  14.238  -0.735
  121    HA   PHE  17           HA       PHE  17  -3.404  11.961  -1.656
  122   1HB   PHE  17          2HB       PHE  17  -3.154  14.334  -3.441
  123   2HB   PHE  17          1HB       PHE  17  -3.329  12.702  -4.045
  124    HD1  PHE  17           HD1      PHE  17  -4.995  15.495  -2.442
  125    HD2  PHE  17           HD2      PHE  17  -5.471  11.487  -3.777
  126    HE1  PHE  17           HE1      PHE  17  -7.452  15.735  -2.295
  127    HE2  PHE  17           HE2      PHE  17  -7.916  11.713  -3.628
  128    HZ   PHE  17           HZ       PHE  17  -8.901  13.849  -2.883
  129    H    ILE  18           H        ILE  18  -1.488  11.206  -0.859
  130    HA   ILE  18           HA       ILE  18   1.029  12.312  -2.055
  131    HB   ILE  18           HB       ILE  18   2.247  10.862  -0.374
  132   1HG1  ILE  18          2HG1      ILE  18   0.675   9.598   1.320
  133   2HG1  ILE  18          1HG1      ILE  18  -0.434   9.558  -0.023
  134   1HG2  ILE  18          1HG2      ILE  18   1.354  13.001   0.476
  135   2HG2  ILE  18          3HG2      ILE  18  -0.131  12.224   0.949
  136   3HG2  ILE  18          2HG2      ILE  18   1.367  11.781   1.727
  137   1HD1  ILE  18          2HD1      ILE  18   2.412   8.493  -0.146
  138   2HD1  ILE  18          1HD1      ILE  18   0.965   7.518   0.039
  139   3HD1  ILE  18          3HD1      ILE  18   1.251   8.386  -1.452
  140    H    LEU  19           H        LEU  19   2.447  11.058  -3.293
  141    HA   LEU  19           HA       LEU  19   1.067   9.057  -4.898
  142   1HB   LEU  19          2HB       LEU  19   2.896  11.230  -5.321
  143   2HB   LEU  19          1HB       LEU  19   3.912   9.853  -5.555
  144    HG   LEU  19           HG       LEU  19   1.477  10.766  -7.216
  145   1HD1  LEU  19          1HD1      LEU  19   4.328  10.152  -7.994
  146   2HD1  LEU  19          3HD1      LEU  19   3.041  10.678  -9.066
  147   3HD1  LEU  19          2HD1      LEU  19   3.604  11.740  -7.795
  148   1HD2  LEU  19          2HD2      LEU  19   1.371   8.206  -6.960
  149   2HD2  LEU  19          1HD2      LEU  19   1.724   8.706  -8.594
  150   3HD2  LEU  19          3HD2      LEU  19   3.013   8.126  -7.551
  151    H    LYS  20           H        LYS  20   1.290   7.041  -4.673
  152    HA   LYS  20           HA       LYS  20   3.789   5.869  -3.468
  153   1HB   LYS  20          2HB       LYS  20   1.798   6.198  -1.829
  154   2HB   LYS  20          1HB       LYS  20   0.864   5.118  -2.810
  155   1HG   LYS  20          2HG       LYS  20   1.484   3.829  -0.918
  156   2HG   LYS  20          1HG       LYS  20   2.517   3.257  -2.196
  157   1HD   LYS  20          2HD       LYS  20   4.501   4.527  -1.204
  158   2HD   LYS  20          1HD       LYS  20   3.445   5.316  -0.078
  159   1HE   LYS  20          2HE       LYS  20   3.262   3.493   1.382
  160   2HE   LYS  20          1HE       LYS  20   3.352   2.341   0.093
  161   1HZ   LYS  20          1HZ       LYS  20   5.931   3.448   0.224
  162   2HZ   LYS  20          3HZ       LYS  20   5.490   3.111   1.819
  163   3HZ   LYS  20          2HZ       LYS  20   5.504   1.911   0.701
  164    H    TRP  21           H        TRP  21   3.644   3.316  -4.060
  165    HA   TRP  21           HA       TRP  21   2.840   3.045  -6.916
  166   1HB   TRP  21          2HB       TRP  21   4.908   1.514  -5.244
  167   2HB   TRP  21          1HB       TRP  21   4.521   1.113  -6.887
  168    HD1  TRP  21           HD1      TRP  21   6.392   3.841  -4.823
  169    HE1  TRP  21           HE1      TRP  21   7.978   4.937  -6.464
  170    HE3  TRP  21           HE3      TRP  21   4.985   1.563  -9.030
  171    HZ2  TRP  21           HZ2      TRP  21   8.721   4.785  -9.222
  172    HZ3  TRP  21           HZ3      TRP  21   6.131   1.941 -11.180
  173    HH2  TRP  21           HH2      TRP  21   8.018   3.531 -11.303
  174    H    TYR  22           H        TYR  22   1.657   1.229  -7.456
  175    HA   TYR  22           HA       TYR  22   0.682  -0.531  -5.248
  176   1HB   TYR  22          2HB       TYR  22  -1.381   0.600  -5.448
  177   2HB   TYR  22          1HB       TYR  22  -0.669   1.697  -6.597
  178    HD1  TYR  22           HD1      TYR  22  -0.395   0.837  -9.018
  179    HD2  TYR  22           HD2      TYR  22  -2.942  -0.837  -6.100
  180    HE1  TYR  22           HE1      TYR  22  -1.685  -0.301 -10.806
  181    HE2  TYR  22           HE2      TYR  22  -4.233  -2.002  -7.889
  182    HH   TYR  22           HH       TYR  22  -3.306  -2.584 -10.667
  183    H    TYR  23           H        TYR  23   0.232  -2.632  -6.044
  184    HA   TYR  23           HA       TYR  23   1.790  -3.434  -8.409
  185   1HB   TYR  23          2HB       TYR  23   1.636  -4.756  -6.228
  186   2HB   TYR  23          1HB       TYR  23  -0.020  -5.108  -6.643
  187    HD1  TYR  23           HD1      TYR  23   3.355  -5.388  -8.295
  188    HD2  TYR  23           HD2      TYR  23  -0.508  -7.060  -7.728
  189    HE1  TYR  23           HE1      TYR  23   3.984  -7.361  -9.675
  190    HE2  TYR  23           HE2      TYR  23   0.149  -9.007  -9.106
  191    HH   TYR  23           HH       TYR  23   2.569 -10.059  -9.572
  192    H    ASP  24           H        ASP  24   1.068  -3.914 -10.341
  193    HA   ASP  24           HA       ASP  24  -1.862  -4.103 -10.849
  194   1HB   ASP  24          2HB       ASP  24  -0.602  -1.910 -11.064
  195   2HB   ASP  24          1HB       ASP  24   0.098  -2.508 -12.570
  196    HA   PRO  25           HA       PRO  25  -0.240  -7.769 -12.789
  197   1HB   PRO  25          2HB       PRO  25  -2.401  -9.297 -12.806
  198   2HB   PRO  25          1HB       PRO  25  -1.873  -8.590 -11.265
  199   1HG   PRO  25          2HG       PRO  25  -3.822  -7.383 -13.268
  200   2HG   PRO  25          1HG       PRO  25  -4.182  -7.861 -11.593
  201   1HD   PRO  25          2HD       PRO  25  -3.400  -5.242 -12.255
  202   2HD   PRO  25          1HD       PRO  25  -2.899  -5.976 -10.705
  203    H    ASN  26           H        ASN  26  -0.657  -9.017 -14.539
  204    HA   ASN  26           HA       ASN  26  -1.344  -9.655 -16.858
  205   1HB   ASN  26          2HB       ASN  26  -2.966  -7.631 -17.131
  206   2HB   ASN  26          1HB       ASN  26  -1.574  -6.569 -17.243
  207   1HD2  ASN  26          2HD2      ASN  26  -2.666  -8.249 -20.555
  208   2HD2  ASN  26          1HD2      ASN  26  -3.718  -8.200 -19.210
  209    H    THR  27           H        THR  27   0.255  -6.932 -15.841
  210    HA   THR  27           HA       THR  27   2.757  -7.322 -17.497
  211    HB   THR  27           HB       THR  27   2.012  -4.944 -17.422
  212    HG1  THR  27           HG1      THR  27   4.087  -4.560 -17.091
  213   1HG2  THR  27          2HG2      THR  27   0.891  -4.975 -15.074
  214   2HG2  THR  27          1HG2      THR  27   2.519  -5.051 -14.406
  215   3HG2  THR  27          3HG2      THR  27   2.027  -3.679 -15.357
  216    H    LYS  28           H        LYS  28   1.727  -6.885 -14.098
  217    HA   LYS  28           HA       LYS  28   2.270  -8.012 -12.247
  218   1HB   LYS  28          2HB       LYS  28   4.511  -9.470 -13.782
  219   2HB   LYS  28          1HB       LYS  28   3.742  -9.980 -12.317
  220   1HG   LYS  28          2HG       LYS  28   1.740 -10.657 -13.273
  221   2HG   LYS  28          1HG       LYS  28   1.878  -9.678 -14.698
  222   1HD   LYS  28          2HD       LYS  28   3.618 -12.189 -14.085
  223   2HD   LYS  28          1HD       LYS  28   2.321 -12.199 -15.238
  224   1HE   LYS  28          2HE       LYS  28   4.898 -10.567 -15.456
  225   2HE   LYS  28          1HE       LYS  28   4.545 -12.054 -16.309
  226   1HZ   LYS  28          2HZ       LYS  28   2.381 -10.239 -16.762
  227   2HZ   LYS  28          1HZ       LYS  28   3.804  -9.420 -16.978
  228   3HZ   LYS  28          3HZ       LYS  28   3.466 -10.786 -17.911
  229    H    SER  29           H        SER  29   3.075  -5.565 -12.551
  230    HA   SER  29           HA       SER  29   5.527  -5.476 -10.992
  231   1HB   SER  29          2HB       SER  29   6.354  -5.133 -13.314
  232   2HB   SER  29          1HB       SER  29   5.041  -4.024 -13.699
  233    HG   SER  29           HG       SER  29   6.385  -2.506 -13.037
  234    H    CYS  30           H        CYS  30   5.380  -2.457 -11.245
  235    HA   CYS  30           HA       CYS  30   2.799  -1.983  -9.808
  236   1HB   CYS  30          2HB       CYS  30   5.327  -0.519  -9.425
  237   2HB   CYS  30          1HB       CYS  30   3.933  -0.453  -8.363
  238    H    ALA  31           H        ALA  31   2.004   0.023  -9.831
  239    HA   ALA  31           HA       ALA  31   2.750   1.902 -12.024
  240   1HB   ALA  31          2HB       ALA  31   0.674   0.496 -12.610
  241   2HB   ALA  31          1HB       ALA  31  -0.069   1.055 -11.127
  242   3HB   ALA  31          3HB       ALA  31   0.275   2.197 -12.415
  243    H    ARG  32           H        ARG  32   1.817   4.058 -11.308
  244    HA   ARG  32           HA       ARG  32   2.042   4.332  -8.374
  245   1HB   ARG  32          2HB       ARG  32   3.336   5.556 -10.603
  246   2HB   ARG  32          1HB       ARG  32   2.541   6.844  -9.699
  247   1HG   ARG  32          2HG       ARG  32   3.647   6.121  -7.587
  248   2HG   ARG  32          1HG       ARG  32   4.296   4.705  -8.359
  249   1HD   ARG  32          2HD       ARG  32   5.109   7.566  -9.022
  250   2HD   ARG  32          1HD       ARG  32   6.018   6.396  -8.068
  251    HE   ARG  32           HE       ARG  32   5.924   4.839 -10.116
  252   1HH1  ARG  32          2HH1      ARG  32   4.303   7.128 -11.187
  253   2HH1  ARG  32          1HH1      ARG  32   5.268   7.652 -12.540
  254   1HH2  ARG  32          1HH2      ARG  32   7.822   5.712 -11.165
  255   2HH2  ARG  32          2HH2      ARG  32   7.482   6.744 -12.518
  256    H    PHE  33           H        PHE  33   0.739   5.651  -7.187
  257    HA   PHE  33           HA       PHE  33  -1.536   6.959  -8.604
  258   1HB   PHE  33          2HB       PHE  33  -3.239   5.542  -7.596
  259   2HB   PHE  33          1HB       PHE  33  -1.978   4.454  -8.094
  260    HD1  PHE  33           HD2      PHE  33  -0.093   4.051  -6.151
  261    HD2  PHE  33           HD1      PHE  33  -4.156   5.138  -5.558
  262    HE1  PHE  33           HE2      PHE  33  -0.035   3.070  -3.895
  263    HE2  PHE  33           HE1      PHE  33  -4.106   4.171  -3.325
  264    HZ   PHE  33           HZ       PHE  33  -2.042   3.131  -2.476
  265    H    TRP  34           H        TRP  34  -2.793   8.323  -7.458
  266    HA   TRP  34           HA       TRP  34  -1.459   9.867  -5.309
  267   1HB   TRP  34          2HB       TRP  34  -3.764  10.401  -7.321
  268   2HB   TRP  34          1HB       TRP  34  -3.619  11.450  -5.991
  269    HD1  TRP  34           HD1      TRP  34  -3.103  11.518  -9.208
  270    HE1  TRP  34           HE1      TRP  34  -1.195  13.150  -9.857
  271    HE3  TRP  34           HE3      TRP  34  -0.688  11.965  -4.787
  272    HZ2  TRP  34           HZ2      TRP  34   0.976  14.466  -8.735
  273    HZ3  TRP  34           HZ3      TRP  34   1.275  13.411  -4.588
  274    HH2  TRP  34           HH2      TRP  34   2.131  14.665  -6.540
  275    H    TYR  35           H        TYR  35  -1.993   8.852  -3.282
  276    HA   TYR  35           HA       TYR  35  -4.963   8.624  -2.766
  277   1HB   TYR  35          2HB       TYR  35  -4.676   6.404  -2.397
  278   2HB   TYR  35          1HB       TYR  35  -3.065   6.554  -2.999
  279    HD1  TYR  35           HD1      TYR  35  -5.093   6.662   0.119
  280    HD2  TYR  35           HD2      TYR  35  -1.224   6.236  -1.610
  281    HE1  TYR  35           HE1      TYR  35  -4.160   5.983   2.311
  282    HE2  TYR  35           HE2      TYR  35  -0.327   5.571   0.599
  283    HH   TYR  35           HH       TYR  35  -1.463   6.310   3.080
  284    H    GLY  36           H        GLY  36  -2.142   8.565  -0.529
  285   1HA   GLY  36          2HA       GLY  36  -1.840  10.584   1.084
  286   2HA   GLY  36          1HA       GLY  36  -3.579  10.670   1.152
  287    H    GLY  37           H        GLY  37  -4.445   9.777   2.866
  288   1HA   GLY  37          2HA       GLY  37  -3.344   7.263   4.078
  289   2HA   GLY  37          1HA       GLY  37  -3.373   8.677   5.114
  290    H    CYS  38           H        CYS  38  -5.871   7.908   2.823
  291    HA   CYS  38           HA       CYS  38  -7.728   7.263   5.093
  292   1HB   CYS  38          2HB       CYS  38  -8.855   8.678   2.731
  293   2HB   CYS  38          1HB       CYS  38  -9.081   8.961   4.446
  294    H    GLY  39           H        GLY  39  -8.119   7.077   1.557
  295   1HA   GLY  39          2HA       GLY  39  -9.359   4.340   1.928
  296   2HA   GLY  39          1HA       GLY  39  -9.880   5.481   0.706
  297    H    GLY  40           H        GLY  40  -6.947   3.950   1.731
  298   1HA   GLY  40          2HA       GLY  40  -6.296   3.191  -1.128
  299   2HA   GLY  40          1HA       GLY  40  -5.059   3.815  -0.066
  300    H    ASN  41           H        ASN  41  -6.911   1.010  -0.930
  301    HA   ASN  41           HA       ASN  41  -6.557  -0.848   1.049
  302   1HB   ASN  41          2HB       ASN  41  -6.661  -2.493  -0.800
  303   2HB   ASN  41          1HB       ASN  41  -7.595  -1.097  -1.276
  304   1HD2  ASN  41          2HD2      ASN  41  -5.583  -0.704  -4.120
  305   2HD2  ASN  41          1HD2      ASN  41  -7.096  -0.458  -3.419
  306    H    GLU  42           H        GLU  42  -4.981  -2.969   0.834
  307    HA   GLU  42           HA       GLU  42  -2.372  -1.944   1.669
  308   1HB   GLU  42          2HB       GLU  42  -3.414  -4.780   1.507
  309   2HB   GLU  42          1HB       GLU  42  -1.990  -4.240   2.383
  310   1HG   GLU  42          2HG       GLU  42  -4.917  -3.662   3.058
  311   2HG   GLU  42          1HG       GLU  42  -3.599  -4.091   4.126
  312    H    ASN  43           H        ASN  43  -3.035  -1.950  -1.237
  313    HA   ASN  43           HA       ASN  43  -0.500  -3.223  -2.230
  314   1HB   ASN  43          2HB       ASN  43  -2.747  -3.927  -3.109
  315   2HB   ASN  43          1HB       ASN  43  -3.046  -2.289  -3.695
  316   1HD2  ASN  43          2HD2      ASN  43  -1.798  -3.414  -6.714
  317   2HD2  ASN  43          1HD2      ASN  43  -3.168  -2.941  -5.837
  318    H    LYS  44           H        LYS  44  -0.047  -1.413  -0.747
  319    HA   LYS  44           HA       LYS  44   0.401   1.229  -2.100
  320   1HB   LYS  44          2HB       LYS  44   0.094   2.281   0.086
  321   2HB   LYS  44          1HB       LYS  44  -1.323   1.463  -0.538
  322   1HG   LYS  44          2HG       LYS  44  -1.256  -0.264   0.961
  323   2HG   LYS  44          1HG       LYS  44   0.466  -0.209   1.214
  324   1HD   LYS  44          2HD       LYS  44  -0.201   0.748   3.151
  325   2HD   LYS  44          1HD       LYS  44  -0.024   2.178   2.151
  326   1HE   LYS  44          2HE       LYS  44  -2.111   2.341   3.509
  327   2HE   LYS  44          1HE       LYS  44  -2.457   2.319   1.784
  328   1HZ   LYS  44          1HZ       LYS  44  -2.353  -0.372   2.684
  329   2HZ   LYS  44          3HZ       LYS  44  -3.349   0.332   3.709
  330   3HZ   LYS  44          2HZ       LYS  44  -3.665   0.479   2.095
  331    H    PHE  45           H        PHE  45   2.488   0.989  -2.771
  332    HA   PHE  45           HA       PHE  45   4.611   0.475  -0.752
  333   1HB   PHE  45          2HB       PHE  45   4.478  -0.148  -3.706
  334   2HB   PHE  45          1HB       PHE  45   5.798  -0.571  -2.651
  335    HD1  PHE  45           HD2      PHE  45   4.889  -1.754  -0.324
  336    HD2  PHE  45           HD1      PHE  45   2.811  -1.729  -4.034
  337    HE1  PHE  45           HE2      PHE  45   3.598  -3.686   0.397
  338    HE2  PHE  45           HE1      PHE  45   1.500  -3.689  -3.307
  339    HZ   PHE  45           HZ       PHE  45   1.903  -4.675  -1.080
  340    H    GLY  46           H        GLY  46   6.595   1.576  -0.879
  341   1HA   GLY  46          2HA       GLY  46   6.596   4.427  -1.714
  342   2HA   GLY  46          1HA       GLY  46   7.923   3.583  -0.894
  343    H    SER  47           H        SER  47   7.985   1.494  -2.826
  344    HA   SER  47           HA       SER  47   8.795   2.761  -5.350
  345   1HB   SER  47          2HB       SER  47  10.715   1.348  -3.509
  346   2HB   SER  47          1HB       SER  47  11.033   1.555  -5.255
  347    HG   SER  47           HG       SER  47  10.089   3.811  -3.860
  348    H    GLN  48           H        GLN  48   8.894   1.314  -7.109
  349    HA   GLN  48           HA       GLN  48   7.042  -0.689  -7.220
  350   1HB   GLN  48          2HB       GLN  48   8.308   0.163  -9.248
  351   2HB   GLN  48          1HB       GLN  48   9.769  -0.634  -8.678
  352   1HG   GLN  48          2HG       GLN  48   7.787  -2.755  -8.712
  353   2HG   GLN  48          1HG       GLN  48   7.478  -1.822 -10.143
  354   1HE2  GLN  48          2HE2      GLN  48   9.879  -3.786 -11.673
  355   2HE2  GLN  48          1HE2      GLN  48   8.245  -3.298 -11.642
  356    H    LYS  49           H        LYS  49  10.312  -1.189  -6.418
  357    HA   LYS  49           HA       LYS  49  10.226  -3.970  -6.086
  358   1HB   LYS  49          2HB       LYS  49  11.871  -1.809  -4.603
  359   2HB   LYS  49          1HB       LYS  49  12.207  -3.512  -4.359
  360   1HG   LYS  49          2HG       LYS  49  12.160  -2.213  -7.141
  361   2HG   LYS  49          1HG       LYS  49  13.632  -2.433  -6.208
  362   1HD   LYS  49          2HD       LYS  49  13.438  -4.853  -6.260
  363   2HD   LYS  49          1HD       LYS  49  11.779  -4.840  -6.777
  364   1HE   LYS  49          2HE       LYS  49  12.469  -3.822  -8.938
  365   2HE   LYS  49          1HE       LYS  49  14.154  -4.038  -8.448
  366   1HZ   LYS  49          1HZ       LYS  49  12.642  -6.410  -7.877
  367   2HZ   LYS  49          3HZ       LYS  49  12.310  -6.022  -9.390
  368   3HZ   LYS  49          2HZ       LYS  49  13.917  -6.310  -8.968
  369    H    GLU  50           H        GLU  50   9.097  -1.683  -3.648
  370    HA   GLU  50           HA       GLU  50   8.753  -3.523  -1.561
  371   1HB   GLU  50          2HB       GLU  50   7.709  -0.973  -2.390
  372   2HB   GLU  50          1HB       GLU  50   6.599  -1.958  -1.408
  373   1HG   GLU  50          2HG       GLU  50   8.017  -1.842   0.514
  374   2HG   GLU  50          1HG       GLU  50   9.346  -1.130  -0.396
  375    H    CYS  51           H        CYS  51   6.430  -2.493  -4.047
  376    HA   CYS  51           HA       CYS  51   4.379  -4.419  -3.478
  377   1HB   CYS  51          2HB       CYS  51   4.706  -4.146  -6.412
  378   2HB   CYS  51          1HB       CYS  51   3.364  -3.721  -5.412
  379    H    GLU  52           H        GLU  52   7.001  -4.541  -5.821
  380    HA   GLU  52           HA       GLU  52   6.688  -7.131  -6.779
  381   1HB   GLU  52          2HB       GLU  52   8.460  -5.406  -7.488
  382   2HB   GLU  52          1HB       GLU  52   9.389  -5.882  -6.079
  383   1HG   GLU  52          2HG       GLU  52   8.955  -8.417  -7.187
  384   2HG   GLU  52          1HG       GLU  52   8.806  -7.440  -8.600
  385    H    LYS  53           H        LYS  53   8.316  -6.213  -3.843
  386    HA   LYS  53           HA       LYS  53   8.778  -9.063  -3.268
  387   1HB   LYS  53          2HB       LYS  53   9.530  -6.323  -2.080
  388   2HB   LYS  53          1HB       LYS  53   9.918  -7.719  -1.119
  389   1HG   LYS  53          2HG       LYS  53  10.849  -7.144  -4.026
  390   2HG   LYS  53          1HG       LYS  53  11.853  -7.062  -2.606
  391   1HD   LYS  53          2HD       LYS  53  12.339  -9.284  -2.721
  392   2HD   LYS  53          1HD       LYS  53  10.671  -9.712  -2.533
  393   1HE   LYS  53          2HE       LYS  53  12.214  -9.319  -5.127
  394   2HE   LYS  53          1HE       LYS  53  11.444 -10.793  -4.550
  395   1HZ   LYS  53          2HZ       LYS  53   9.607  -8.610  -4.680
  396   2HZ   LYS  53          1HZ       LYS  53  10.315  -8.816  -6.140
  397   3HZ   LYS  53          3HZ       LYS  53   9.427 -10.094  -5.426
  398    H    VAL  54           H        VAL  54   6.538  -6.757  -2.044
  399    HA   VAL  54           HA       VAL  54   5.684  -8.451   0.176
  400    HB   VAL  54           HB       VAL  54   4.608  -5.982  -1.255
  401   1HG1  VAL  54          3HG1      VAL  54   3.695  -7.247   1.404
  402   2HG1  VAL  54          2HG1      VAL  54   3.086  -5.733   0.767
  403   3HG1  VAL  54          1HG1      VAL  54   2.737  -7.235  -0.065
  404   1HG2  VAL  54          1HG2      VAL  54   5.994  -6.334   1.451
  405   2HG2  VAL  54          3HG2      VAL  54   6.717  -5.647   0.009
  406   3HG2  VAL  54          2HG2      VAL  54   5.415  -4.807   0.812
  407    H    CYS  55           H        CYS  55   4.910  -8.021  -3.142
  408    HA   CYS  55           HA       CYS  55   2.785 -10.120  -3.064
  409   1HB   CYS  55          2HB       CYS  55   1.891  -8.013  -3.783
  410   2HB   CYS  55          1HB       CYS  55   3.188  -7.770  -4.936
  411    H    ALA  56           H        ALA  56   5.581  -9.172  -5.137
  412    HA   ALA  56           HA       ALA  56   5.178 -11.638  -6.716
  413   1HB   ALA  56          1HB       ALA  56   5.692  -9.635  -7.900
  414   2HB   ALA  56          3HB       ALA  56   7.231  -9.486  -7.085
  415   3HB   ALA  56          2HB       ALA  56   6.968 -10.838  -8.126
  416    HA   PRO  57           HA       PRO  57   8.463 -13.707  -4.324
  417   1HB   PRO  57          2HB       PRO  57   7.179 -15.950  -3.766
  418   2HB   PRO  57          1HB       PRO  57   6.404 -14.428  -3.272
  419   1HG   PRO  57          2HG       PRO  57   5.870 -16.052  -5.822
  420   2HG   PRO  57          1HG       PRO  57   4.680 -15.447  -4.664
  421   1HD   PRO  57          2HD       PRO  57   5.501 -14.051  -7.018
  422   2HD   PRO  57          1HD       PRO  57   4.668 -13.333  -5.634
  423    H    VAL  58           HN       VAL  58   9.566 -15.991  -4.575
  424    HA   VAL  58           HA       VAL  58   9.876 -16.908  -7.346
  425    HB   VAL  58           HB       VAL  58  12.134 -16.119  -5.438
  426   1HG1  VAL  58          2HG1      VAL  58  12.202 -17.026  -8.349
  427   2HG1  VAL  58          1HG1      VAL  58  13.626 -16.542  -7.429
  428   3HG1  VAL  58          3HG1      VAL  58  12.705 -17.964  -6.962
  429   1HG2  VAL  58          2HG2      VAL  58  11.233 -14.764  -8.033
  430   2HG2  VAL  58          1HG2      VAL  58  11.043 -14.075  -6.434
  431   3HG2  VAL  58          3HG2      VAL  58  12.655 -14.281  -7.114
   
  No H/Q in entry =         431
  Start of MODEL   17
    1   1H    GLU   1          3H        GLU   1  -8.357 -13.852  -2.289
    2   2H    GLU   1          2H        GLU   1  -9.659 -14.935  -2.273
    3   3H    GLU   1          1H        GLU   1  -9.918 -13.339  -2.667
    4    HA   GLU   1           HA       GLU   1 -10.327 -12.804  -0.584
    5   1HB   GLU   1          2HB       GLU   1  -9.597 -15.748  -0.008
    6   2HB   GLU   1          1HB       GLU   1 -10.411 -14.718   1.144
    7   1HG   GLU   1          2HG       GLU   1 -11.862 -16.383  -0.541
    8   2HG   GLU   1          1HG       GLU   1 -12.550 -14.854  -0.069
    9    H    THR   2           H        THR   2  -9.135 -11.608   0.979
   10    HA   THR   2           HA       THR   2  -7.182 -10.615   1.839
   11    HB   THR   2           HB       THR   2  -5.840 -12.395   3.340
   12    HG1  THR   2           HG1      THR   2  -6.680 -14.033   1.723
   13   1HG2  THR   2          1HG2      THR   2  -7.985 -11.251   4.235
   14   2HG2  THR   2          3HG2      THR   2  -8.883 -12.593   3.523
   15   3HG2  THR   2          2HG2      THR   2  -7.718 -12.897   4.790
   16    H    ASP   3           H        ASP   3  -6.972 -11.167  -0.612
   17    HA   ASP   3           HA       ASP   3  -4.090 -11.592  -1.207
   18   1HB   ASP   3          2HB       ASP   3  -5.073 -12.351  -3.483
   19   2HB   ASP   3          1HB       ASP   3  -5.411 -13.391  -2.128
   20    H    ILE   4           H        ILE   4  -4.158  -9.444  -0.429
   21    HA   ILE   4           HA       ILE   4  -5.133  -7.016  -1.209
   22    HB   ILE   4           HB       ILE   4  -2.989  -6.061  -0.678
   23   1HG1  ILE   4          2HG1      ILE   4  -1.891  -8.937  -0.707
   24   2HG1  ILE   4          1HG1      ILE   4  -1.498  -7.717  -1.901
   25   1HG2  ILE   4          2HG2      ILE   4  -4.442  -6.910   1.159
   26   2HG2  ILE   4          1HG2      ILE   4  -3.681  -8.485   1.105
   27   3HG2  ILE   4          3HG2      ILE   4  -2.781  -7.084   1.624
   28   1HD1  ILE   4          3HD1      ILE   4  -0.484  -6.275  -0.149
   29   2HD1  ILE   4          2HD1      ILE   4  -0.841  -7.485   1.073
   30   3HD1  ILE   4          1HD1      ILE   4   0.279  -7.854  -0.216
   31    H    CYS   5           H        CYS   5  -3.090  -8.930  -3.029
   32    HA   CYS   5           HA       CYS   5  -2.431  -7.039  -5.164
   33   1HB   CYS   5          2HB       CYS   5  -2.271 -10.055  -5.030
   34   2HB   CYS   5          1HB       CYS   5  -1.378  -9.043  -6.161
   35    H    LYS   6           H        LYS   6  -5.202  -7.785  -4.439
   36    HA   LYS   6           HA       LYS   6  -6.439  -8.153  -7.153
   37   1HB   LYS   6          2HB       LYS   6  -7.592  -8.819  -4.408
   38   2HB   LYS   6          1HB       LYS   6  -8.477  -9.002  -5.890
   39   1HG   LYS   6          2HG       LYS   6  -5.957 -10.587  -5.220
   40   2HG   LYS   6          1HG       LYS   6  -7.563 -10.988  -4.734
   41   1HD   LYS   6          2HD       LYS   6  -7.140 -12.321  -6.680
   42   2HD   LYS   6          1HD       LYS   6  -8.426 -11.193  -6.976
   43   1HE   LYS   6          2HE       LYS   6  -6.910 -11.382  -8.915
   44   2HE   LYS   6          1HE       LYS   6  -6.953  -9.742  -8.282
   45   1HZ   LYS   6          1HZ       LYS   6  -5.121 -11.187  -6.764
   46   2HZ   LYS   6          3HZ       LYS   6  -4.688 -11.515  -8.371
   47   3HZ   LYS   6          2HZ       LYS   6  -4.745  -9.917  -7.781
   48    H    LEU   7           H        LEU   7  -5.852  -5.892  -4.773
   49    HA   LEU   7           HA       LEU   7  -8.355  -4.539  -5.062
   50   1HB   LEU   7          2HB       LEU   7  -5.849  -3.723  -3.551
   51   2HB   LEU   7          1HB       LEU   7  -7.423  -3.012  -3.328
   52    HG   LEU   7           HG       LEU   7  -6.634  -5.903  -2.637
   53   1HD1  LEU   7          2HD1      LEU   7  -7.391  -3.502  -0.926
   54   2HD1  LEU   7          1HD1      LEU   7  -7.020  -5.101  -0.329
   55   3HD1  LEU   7          3HD1      LEU   7  -5.780  -4.150  -1.104
   56   1HD2  LEU   7          3HD2      LEU   7  -9.273  -4.406  -2.220
   57   2HD2  LEU   7          2HD2      LEU   7  -9.050  -5.711  -3.381
   58   3HD2  LEU   7          1HD2      LEU   7  -8.906  -6.028  -1.663
   59    HA   PRO   8           HA       PRO   8  -6.776  -1.493  -8.115
   60   1HB   PRO   8          2HB       PRO   8  -8.895   0.169  -8.120
   61   2HB   PRO   8          1HB       PRO   8  -9.073  -1.482  -8.723
   62   1HG   PRO   8          2HG       PRO   8  -9.614  -0.505  -5.849
   63   2HG   PRO   8          1HG       PRO   8 -10.785  -1.250  -6.945
   64   1HD   PRO   8          2HD       PRO   8  -9.434  -2.772  -5.180
   65   2HD   PRO   8          1HD       PRO   8  -9.663  -3.406  -6.829
   66    H    LYS   9           H        LYS   9  -7.024   0.951  -8.004
   67    HA   LYS   9           HA       LYS   9  -4.916   2.030  -6.508
   68   1HB   LYS   9          2HB       LYS   9  -7.459   3.328  -7.477
   69   2HB   LYS   9          1HB       LYS   9  -6.344   4.247  -6.482
   70   1HG   LYS   9          2HG       LYS   9  -4.592   4.088  -8.179
   71   2HG   LYS   9          1HG       LYS   9  -5.594   3.051  -9.167
   72   1HD   LYS   9          2HD       LYS   9  -5.682   5.597  -9.813
   73   2HD   LYS   9          1HD       LYS   9  -7.236   4.823  -9.598
   74   1HE   LYS   9          2HE       LYS   9  -7.419   5.822  -7.287
   75   2HE   LYS   9          1HE       LYS   9  -5.864   6.590  -7.496
   76   1HZ   LYS   9          2HZ       LYS   9  -7.478   7.292  -9.762
   77   2HZ   LYS   9          1HZ       LYS   9  -8.377   7.468  -8.326
   78   3HZ   LYS   9          3HZ       LYS   9  -6.994   8.248  -8.407
   79    H    ASP  10           H        ASP  10  -4.501   2.722  -4.458
   80    HA   ASP  10           HA       ASP  10  -6.631   2.356  -2.412
   81   1HB   ASP  10          2HB       ASP  10  -4.272   1.311  -2.214
   82   2HB   ASP  10          1HB       ASP  10  -3.672   2.959  -2.046
   83    H    GLU  11           H        GLU  11  -7.656   4.152  -3.357
   84    HA   GLU  11           HA       GLU  11  -6.695   6.839  -2.327
   85   1HB   GLU  11          2HB       GLU  11  -6.483   6.880  -4.760
   86   2HB   GLU  11          1HB       GLU  11  -8.039   6.122  -5.047
   87   1HG   GLU  11          2HG       GLU  11  -9.108   8.317  -4.375
   88   2HG   GLU  11          1HG       GLU  11  -7.492   8.968  -4.157
   89    H    GLY  12           H        GLY  12  -9.996   6.490  -3.646
   90   1HA   GLY  12          2HA       GLY  12 -12.090   6.460  -2.574
   91   2HA   GLY  12          1HA       GLY  12 -11.316   5.628  -1.255
   92    H    THR  13           H        THR  13  -9.804   7.568  -0.090
   93    HA   THR  13           HA       THR  13 -11.810   9.695   0.617
   94    HB   THR  13           HB       THR  13 -10.101   8.014   2.549
   95    HG1  THR  13           HG1      THR  13 -12.505   7.861   1.298
   96   1HG2  THR  13          3HG2      THR  13 -12.431   9.934   3.105
   97   2HG2  THR  13          2HG2      THR  13 -11.509   8.990   4.254
   98   3HG2  THR  13          1HG2      THR  13 -10.756  10.360   3.485
   99    H    CYS  14           H        CYS  14 -11.027  11.398   1.871
  100    HA   CYS  14           HA       CYS  14  -9.888  13.415   2.018
  101   1HB   CYS  14          2HB       CYS  14  -7.602  11.427   2.107
  102   2HB   CYS  14          1HB       CYS  14  -7.496  13.071   2.669
  103    H    ARG  15           H        ARG  15  -7.605  14.475   1.173
  104    HA   ARG  15           HA       ARG  15  -7.507  14.236  -1.841
  105   1HB   ARG  15          2HB       ARG  15  -7.383  17.097  -1.004
  106   2HB   ARG  15          1HB       ARG  15  -8.293  16.327  -2.267
  107   1HG   ARG  15          2HG       ARG  15  -9.934  17.300  -0.839
  108   2HG   ARG  15          1HG       ARG  15  -9.999  15.575  -0.600
  109   1HD   ARG  15          2HD       ARG  15  -9.666  17.527   1.465
  110   2HD   ARG  15          1HD       ARG  15  -9.556  15.799   1.643
  111    HE   ARG  15           HE       ARG  15  -6.999  16.022   1.192
  112   1HH1  ARG  15          1HH2      ARG  15  -7.949  18.889   0.761
  113   2HH1  ARG  15          2HH2      ARG  15  -6.905  19.673   1.916
  114   1HH2  ARG  15          2HH1      ARG  15  -6.165  16.472   3.058
  115   2HH2  ARG  15          1HH1      ARG  15  -5.781  18.127   3.392
  116    H    ASP  16           H        ASP  16  -5.646  13.344   0.043
  117    HA   ASP  16           HA       ASP  16  -3.360  15.238  -0.355
  118   1HB   ASP  16          2HB       ASP  16  -2.924  13.433   1.881
  119   2HB   ASP  16          1HB       ASP  16  -3.218  15.140   1.951
  120    H    PHE  17           H        PHE  17  -4.259  13.481  -2.132
  121    HA   PHE  17           HA       PHE  17  -3.503  11.090  -2.922
  122   1HB   PHE  17          2HB       PHE  17  -3.228  13.662  -4.395
  123   2HB   PHE  17          1HB       PHE  17  -3.172  12.099  -5.176
  124    HD1  PHE  17           HD2      PHE  17  -5.349  11.531  -2.383
  125    HD2  PHE  17           HD1      PHE  17  -5.185  13.535  -6.144
  126    HE1  PHE  17           HE2      PHE  17  -7.771  11.495  -2.501
  127    HE2  PHE  17           HE1      PHE  17  -7.653  13.484  -6.250
  128    HZ   PHE  17           HZ       PHE  17  -8.935  12.465  -4.420
  129    H    ILE  18           H        ILE  18  -0.877  12.888  -2.034
  130    HA   ILE  18           HA       ILE  18   1.401  12.486  -3.327
  131    HB   ILE  18           HB       ILE  18   1.747  12.652  -0.836
  132   1HG1  ILE  18          2HG1      ILE  18   3.065  10.122  -1.843
  133   2HG1  ILE  18          1HG1      ILE  18   3.600  11.753  -2.177
  134   1HG2  ILE  18          3HG2      ILE  18   0.699   9.760  -0.769
  135   2HG2  ILE  18          2HG2      ILE  18   1.218  10.710   0.624
  136   3HG2  ILE  18          1HG2      ILE  18  -0.212  11.151  -0.259
  137   1HD1  ILE  18          3HD1      ILE  18   3.796  12.223   0.219
  138   2HD1  ILE  18          2HD1      ILE  18   3.281  10.597   0.618
  139   3HD1  ILE  18          1HD1      ILE  18   4.805  10.860  -0.231
  140    H    LEU  19           H        LEU  19   2.368  11.406  -4.684
  141    HA   LEU  19           HA       LEU  19   1.589   9.001  -5.872
  142   1HB   LEU  19          2HB       LEU  19   4.076  10.686  -5.867
  143   2HB   LEU  19          1HB       LEU  19   4.348   9.077  -6.422
  144    HG   LEU  19           HG       LEU  19   2.396  11.131  -7.808
  145   1HD1  LEU  19          1HD1      LEU  19   4.892   9.760  -8.802
  146   2HD1  LEU  19          3HD1      LEU  19   3.868  10.893  -9.667
  147   3HD1  LEU  19          2HD1      LEU  19   4.791  11.434  -8.282
  148   1HD2  LEU  19          3HD2      LEU  19   2.968   8.229  -8.565
  149   2HD2  LEU  19          2HD2      LEU  19   1.446   8.797  -7.916
  150   3HD2  LEU  19          1HD2      LEU  19   1.996   9.385  -9.456
  151    H    LYS  20           H        LYS  20   1.546   7.010  -5.369
  152    HA   LYS  20           HA       LYS  20   3.663   5.765  -3.640
  153   1HB   LYS  20          2HB       LYS  20   0.888   6.225  -2.975
  154   2HB   LYS  20          1HB       LYS  20   0.993   4.531  -3.334
  155   1HG   LYS  20          2HG       LYS  20   1.817   4.190  -1.211
  156   2HG   LYS  20          1HG       LYS  20   3.286   4.938  -1.734
  157   1HD   LYS  20          2HD       LYS  20   0.906   6.443  -0.547
  158   2HD   LYS  20          1HD       LYS  20   2.344   6.039   0.355
  159   1HE   LYS  20          2HE       LYS  20   2.190   7.864  -2.061
  160   2HE   LYS  20          1HE       LYS  20   2.358   8.403  -0.398
  161   1HZ   LYS  20          1HZ       LYS  20   4.326   6.417  -0.999
  162   2HZ   LYS  20          3HZ       LYS  20   4.351   7.621  -2.177
  163   3HZ   LYS  20          2HZ       LYS  20   4.609   8.044  -0.565
  164    H    TRP  21           H        TRP  21   3.389   3.147  -3.823
  165    HA   TRP  21           HA       TRP  21   3.150   2.636  -6.776
  166   1HB   TRP  21          2HB       TRP  21   4.896   1.211  -4.724
  167   2HB   TRP  21          1HB       TRP  21   4.776   0.755  -6.408
  168    HD1  TRP  21           HD1      TRP  21   6.193   3.529  -4.121
  169    HE1  TRP  21           HE1      TRP  21   7.833   4.816  -5.596
  170    HE3  TRP  21           HE3      TRP  21   5.356   1.330  -8.560
  171    HZ2  TRP  21           HZ2      TRP  21   8.791   4.883  -8.271
  172    HZ3  TRP  21           HZ3      TRP  21   6.627   1.969 -10.586
  173    HH2  TRP  21           HH2      TRP  21   8.356   3.735 -10.462
  174    H    TYR  22           H        TYR  22   1.917   0.914  -7.528
  175    HA   TYR  22           HA       TYR  22   0.789  -1.005  -5.507
  176   1HB   TYR  22          2HB       TYR  22  -1.404  -0.404  -5.943
  177   2HB   TYR  22          1HB       TYR  22  -0.729   1.129  -6.392
  178    HD1  TYR  22           HD1      TYR  22   0.248   0.917  -9.125
  179    HD2  TYR  22           HD2      TYR  22  -3.021  -1.059  -7.280
  180    HE1  TYR  22           HE1      TYR  22  -0.853   0.582 -11.353
  181    HE2  TYR  22           HE2      TYR  22  -4.074  -1.377  -9.504
  182    HH   TYR  22           HH       TYR  22  -2.593  -1.095 -12.343
  183    H    TYR  23           H        TYR  23   0.096  -2.966  -6.423
  184    HA   TYR  23           HA       TYR  23   1.726  -3.791  -8.687
  185   1HB   TYR  23          2HB       TYR  23   1.417  -5.175  -6.677
  186   2HB   TYR  23          1HB       TYR  23  -0.304  -5.265  -6.984
  187    HD1  TYR  23           HD1      TYR  23  -1.203  -6.295  -9.035
  188    HD2  TYR  23           HD2      TYR  23   2.906  -6.641  -8.034
  189    HE1  TYR  23           HE1      TYR  23  -0.964  -8.163 -10.645
  190    HE2  TYR  23           HE2      TYR  23   3.117  -8.520  -9.652
  191    HH   TYR  23           HH       TYR  23   1.183 -10.263 -10.534
  192    H    ASP  24           H        ASP  24   1.150  -3.833 -10.626
  193    HA   ASP  24           HA       ASP  24  -1.636  -3.591 -11.551
  194   1HB   ASP  24          2HB       ASP  24  -0.169  -1.686 -11.774
  195   2HB   ASP  24          1HB       ASP  24   1.023  -2.655 -12.631
  196    HA   PRO  25           HA       PRO  25  -0.475  -7.399 -13.909
  197   1HB   PRO  25          2HB       PRO  25  -2.937  -7.914 -14.983
  198   2HB   PRO  25          1HB       PRO  25  -2.655  -8.229 -13.260
  199   1HG   PRO  25          2HG       PRO  25  -3.682  -5.623 -14.512
  200   2HG   PRO  25          1HG       PRO  25  -4.563  -6.645 -13.360
  201   1HD   PRO  25          2HD       PRO  25  -3.107  -4.529 -12.496
  202   2HD   PRO  25          1HD       PRO  25  -2.967  -6.035 -11.548
  203    H    ASN  26           H        ASN  26  -1.139  -7.325 -16.559
  204    HA   ASN  26           HA       ASN  26  -1.251  -6.077 -18.698
  205   1HB   ASN  26          2HB       ASN  26  -0.702  -3.471 -17.087
  206   2HB   ASN  26          1HB       ASN  26  -1.345  -3.624 -18.700
  207   1HD2  ASN  26          2HD2      ASN  26  -3.888  -3.331 -15.765
  208   2HD2  ASN  26          1HD2      ASN  26  -2.237  -2.991 -15.571
  209    H    THR  27           H        THR  27   0.666  -5.380 -16.143
  210    HA   THR  27           HA       THR  27   3.360  -5.505 -17.496
  211    HB   THR  27           HB       THR  27   4.236  -3.928 -15.733
  212    HG1  THR  27           HG1      THR  27   1.742  -3.462 -14.625
  213   1HG2  THR  27          3HG2      THR  27   1.455  -2.957 -16.545
  214   2HG2  THR  27          2HG2      THR  27   2.772  -1.962 -15.972
  215   3HG2  THR  27          1HG2      THR  27   2.878  -2.749 -17.543
  216    H    LYS  28           H        LYS  28   1.526  -5.983 -14.544
  217    HA   LYS  28           HA       LYS  28   1.459  -7.571 -12.964
  218   1HB   LYS  28          2HB       LYS  28   1.191  -9.152 -14.669
  219   2HB   LYS  28          1HB       LYS  28   2.727  -9.054 -15.390
  220   1HG   LYS  28          2HG       LYS  28   2.913  -9.972 -12.600
  221   2HG   LYS  28          1HG       LYS  28   1.613 -10.793 -13.392
  222   1HD   LYS  28          2HD       LYS  28   3.480 -12.224 -13.997
  223   2HD   LYS  28          1HD       LYS  28   3.361 -11.222 -15.409
  224   1HE   LYS  28          2HE       LYS  28   5.290 -10.831 -13.091
  225   2HE   LYS  28          1HE       LYS  28   5.705 -11.456 -14.680
  226   1HZ   LYS  28          2HZ       LYS  28   4.358  -8.943 -14.973
  227   2HZ   LYS  28          1HZ       LYS  28   5.514  -8.761 -13.840
  228   3HZ   LYS  28          3HZ       LYS  28   5.933  -9.271 -15.409
  229    H    SER  29           H        SER  29   2.940  -5.530 -12.755
  230    HA   SER  29           HA       SER  29   5.159  -6.280 -11.015
  231   1HB   SER  29          2HB       SER  29   6.709  -4.684 -12.255
  232   2HB   SER  29          1HB       SER  29   6.008  -5.784 -13.430
  233    HG   SER  29           HG       SER  29   4.193  -4.052 -13.608
  234    H    CYS  30           H        CYS  30   5.725  -3.278 -10.734
  235    HA   CYS  30           HA       CYS  30   3.171  -2.425  -9.464
  236   1HB   CYS  30          2HB       CYS  30   5.961  -2.118  -8.353
  237   2HB   CYS  30          1HB       CYS  30   4.489  -1.491  -7.687
  238    H    ALA  31           H        ALA  31   2.552  -0.377  -9.843
  239    HA   ALA  31           HA       ALA  31   4.343   1.457 -11.374
  240   1HB   ALA  31          3HB       ALA  31   2.593   0.365 -12.806
  241   2HB   ALA  31          2HB       ALA  31   1.345   0.906 -11.717
  242   3HB   ALA  31          1HB       ALA  31   2.236   2.078 -12.669
  243    H    ARG  32           H        ARG  32   3.460   3.607 -11.284
  244    HA   ARG  32           HA       ARG  32   3.024   4.408  -8.500
  245   1HB   ARG  32          2HB       ARG  32   4.474   5.502 -10.775
  246   2HB   ARG  32          1HB       ARG  32   3.512   6.752  -9.994
  247   1HG   ARG  32          2HG       ARG  32   4.534   6.113  -7.773
  248   2HG   ARG  32          1HG       ARG  32   5.414   4.827  -8.546
  249   1HD   ARG  32          2HD       ARG  32   5.833   7.821  -9.025
  250   2HD   ARG  32          1HD       ARG  32   6.919   6.722  -8.188
  251    HE   ARG  32           HE       ARG  32   7.001   5.373 -10.393
  252   1HH1  ARG  32          1HH2      ARG  32   5.046   7.258 -11.433
  253   2HH1  ARG  32          2HH2      ARG  32   5.937   8.156 -12.623
  254   1HH2  ARG  32          2HH1      ARG  32   8.834   6.936 -11.112
  255   2HH2  ARG  32          1HH1      ARG  32   8.296   7.945 -12.412
  256    H    PHE  33           H        PHE  33   1.407   5.392  -7.746
  257    HA   PHE  33           HA       PHE  33  -0.625   6.749  -9.455
  258   1HB   PHE  33          2HB       PHE  33  -2.364   5.176  -8.952
  259   2HB   PHE  33          1HB       PHE  33  -0.966   4.147  -9.132
  260    HD1  PHE  33           HD2      PHE  33   0.239   3.266  -6.991
  261    HD2  PHE  33           HD1      PHE  33  -3.381   5.468  -6.921
  262    HE1  PHE  33           HE2      PHE  33  -0.223   2.532  -4.652
  263    HE2  PHE  33           HE1      PHE  33  -3.835   4.752  -4.608
  264    HZ   PHE  33           HZ       PHE  33  -2.226   3.275  -3.494
  265    H    TRP  34           H        TRP  34  -2.541   7.602  -8.010
  266    HA   TRP  34           HA       TRP  34  -1.313   9.214  -5.873
  267   1HB   TRP  34          2HB       TRP  34  -4.135   9.254  -7.190
  268   2HB   TRP  34          1HB       TRP  34  -3.757  10.308  -5.924
  269    HD1  TRP  34           HD1      TRP  34  -4.325  10.389  -9.121
  270    HE1  TRP  34           HE1      TRP  34  -3.066  12.272 -10.361
  271    HE3  TRP  34           HE3      TRP  34  -0.624  11.547  -5.778
  272    HZ2  TRP  34           HZ2      TRP  34  -0.965  13.972 -10.074
  273    HZ3  TRP  34           HZ3      TRP  34   0.960  13.350  -6.324
  274    HH2  TRP  34           HH2      TRP  34   0.813  14.560  -8.450
  275    H    TYR  35           H        TYR  35  -1.833   8.903  -3.656
  276    HA   TYR  35           HA       TYR  35  -3.640   6.669  -2.897
  277   1HB   TYR  35          2HB       TYR  35  -1.480   6.060  -2.306
  278   2HB   TYR  35          1HB       TYR  35  -0.975   7.711  -1.991
  279    HD1  TYR  35           HD1      TYR  35  -3.379   5.162  -0.645
  280    HD2  TYR  35           HD2      TYR  35  -0.735   8.365   0.238
  281    HE1  TYR  35           HE1      TYR  35  -3.753   4.842   1.747
  282    HE2  TYR  35           HE2      TYR  35  -1.130   7.992   2.662
  283    HH   TYR  35           HH       TYR  35  -2.877   7.055   4.007
  284    H    GLY  36           H        GLY  36  -4.957   6.788  -1.129
  285   1HA   GLY  36          2HA       GLY  36  -6.136   9.442  -0.528
  286   2HA   GLY  36          1HA       GLY  36  -6.703   7.921   0.145
  287    H    GLY  37           H        GLY  37  -4.082  10.127   0.248
  288   1HA   GLY  37          2HA       GLY  37  -2.337  10.032   2.130
  289   2HA   GLY  37          1HA       GLY  37  -3.427  11.373   2.320
  290    H    CYS  38           H        CYS  38  -5.076  11.200   3.803
  291    HA   CYS  38           HA       CYS  38  -4.648  10.599   6.372
  292   1HB   CYS  38          2HB       CYS  38  -7.067  10.305   6.702
  293   2HB   CYS  38          1HB       CYS  38  -6.652  11.609   5.636
  294    H    GLY  39           H        GLY  39  -5.376   7.831   4.271
  295   1HA   GLY  39          2HA       GLY  39  -4.085   5.862   5.766
  296   2HA   GLY  39          1HA       GLY  39  -5.574   6.041   6.646
  297    H    GLY  40           H        GLY  40  -4.190   4.991   3.724
  298   1HA   GLY  40          2HA       GLY  40  -6.671   3.474   2.940
  299   2HA   GLY  40          1HA       GLY  40  -5.340   3.737   1.875
  300    H    ASN  41           H        ASN  41  -6.204   1.561   1.586
  301    HA   ASN  41           HA       ASN  41  -5.640  -0.700   3.249
  302   1HB   ASN  41          2HB       ASN  41  -6.653  -1.920   1.482
  303   2HB   ASN  41          1HB       ASN  41  -7.354  -0.335   1.325
  304   1HD2  ASN  41          2HD2      ASN  41  -6.109   0.015  -1.934
  305   2HD2  ASN  41          1HD2      ASN  41  -6.931   0.816  -0.676
  306    H    GLU  42           H        GLU  42  -4.779  -2.563   1.452
  307    HA   GLU  42           HA       GLU  42  -1.918  -2.604   1.994
  308   1HB   GLU  42          2HB       GLU  42  -3.636  -4.696   0.685
  309   2HB   GLU  42          1HB       GLU  42  -2.089  -4.957   1.482
  310   1HG   GLU  42          2HG       GLU  42  -3.697  -5.603   3.191
  311   2HG   GLU  42          1HG       GLU  42  -3.445  -3.925   3.614
  312    H    ASN  43           H        ASN  43  -3.665  -2.469  -1.130
  313    HA   ASN  43           HA       ASN  43  -1.101  -2.978  -2.567
  314   1HB   ASN  43          2HB       ASN  43  -3.301  -3.891  -3.305
  315   2HB   ASN  43          1HB       ASN  43  -3.847  -2.262  -3.696
  316   1HD2  ASN  43          2HD2      ASN  43  -2.418  -3.223  -6.902
  317   2HD2  ASN  43          1HD2      ASN  43  -3.914  -3.143  -6.112
  318    H    LYS  44           H        LYS  44  -0.521  -1.198  -1.246
  319    HA   LYS  44           HA       LYS  44   0.164   1.126  -2.887
  320   1HB   LYS  44          2HB       LYS  44  -1.946   1.805  -2.141
  321   2HB   LYS  44          1HB       LYS  44  -1.774   1.212  -0.565
  322   1HG   LYS  44          2HG       LYS  44  -0.105   3.554  -1.659
  323   2HG   LYS  44          1HG       LYS  44  -1.714   3.814  -1.074
  324   1HD   LYS  44          2HD       LYS  44   0.618   2.849   0.724
  325   2HD   LYS  44          1HD       LYS  44  -0.091   4.437   0.700
  326   1HE   LYS  44          2HE       LYS  44  -1.106   3.363   2.576
  327   2HE   LYS  44          1HE       LYS  44  -2.314   3.395   1.306
  328   1HZ   LYS  44          2HZ       LYS  44  -0.720   1.090   0.967
  329   2HZ   LYS  44          1HZ       LYS  44  -1.462   1.046   2.509
  330   3HZ   LYS  44          3HZ       LYS  44  -2.388   1.300   1.193
  331    H    PHE  45           H        PHE  45   2.172   0.784  -2.722
  332    HA   PHE  45           HA       PHE  45   3.590   0.441  -0.131
  333   1HB   PHE  45          2HB       PHE  45   4.508  -0.285  -2.974
  334   2HB   PHE  45          1HB       PHE  45   5.315  -0.736  -1.482
  335    HD1  PHE  45           HD2      PHE  45   4.109  -2.268   0.141
  336    HD2  PHE  45           HD1      PHE  45   2.568  -1.475  -3.751
  337    HE1  PHE  45           HE2      PHE  45   2.640  -4.211   0.315
  338    HE2  PHE  45           HE1      PHE  45   1.116  -3.437  -3.577
  339    HZ   PHE  45           HZ       PHE  45   1.130  -4.797  -1.549
  340    H    GLY  46           H        GLY  46   5.790   1.176  -0.102
  341   1HA   GLY  46          2HA       GLY  46   5.946   4.088  -0.623
  342   2HA   GLY  46          1HA       GLY  46   7.160   3.152   0.229
  343    H    SER  47           H        SER  47   7.542   1.272  -1.854
  344    HA   SER  47           HA       SER  47   8.722   2.894  -4.065
  345   1HB   SER  47          2HB       SER  47  10.876   1.843  -3.933
  346   2HB   SER  47          1HB       SER  47  10.486   2.268  -2.260
  347    HG   SER  47           HG       SER  47  10.480   0.150  -1.845
  348    H    GLN  48           H        GLN  48   9.021   1.851  -6.012
  349    HA   GLN  48           HA       GLN  48   7.100  -0.010  -6.849
  350   1HB   GLN  48          2HB       GLN  48   8.618   1.438  -8.320
  351   2HB   GLN  48          1HB       GLN  48   9.934   0.357  -7.984
  352   1HG   GLN  48          2HG       GLN  48   8.784  -1.542  -9.086
  353   2HG   GLN  48          1HG       GLN  48   7.336  -0.579  -9.310
  354   1HE2  GLN  48          2HE2      GLN  48   8.521   0.322 -12.423
  355   2HE2  GLN  48          1HE2      GLN  48   7.206  -0.209 -11.455
  356    H    LYS  49           H        LYS  49  10.410  -0.608  -5.968
  357    HA   LYS  49           HA       LYS  49  10.289  -3.407  -6.215
  358   1HB   LYS  49          2HB       LYS  49  12.432  -1.917  -6.043
  359   2HB   LYS  49          1HB       LYS  49  12.069  -1.673  -4.352
  360   1HG   LYS  49          2HG       LYS  49  13.712  -3.338  -4.227
  361   2HG   LYS  49          1HG       LYS  49  12.258  -4.291  -4.123
  362   1HD   LYS  49          2HD       LYS  49  13.768  -3.780  -6.740
  363   2HD   LYS  49          1HD       LYS  49  14.016  -5.201  -5.751
  364   1HE   LYS  49          2HE       LYS  49  11.514  -5.721  -6.056
  365   2HE   LYS  49          1HE       LYS  49  11.515  -4.430  -7.253
  366   1HZ   LYS  49          1HZ       LYS  49  13.758  -5.972  -7.908
  367   2HZ   LYS  49          3HZ       LYS  49  12.451  -7.029  -7.577
  368   3HZ   LYS  49          2HZ       LYS  49  12.216  -5.878  -8.671
  369    H    GLU  50           H        GLU  50   9.713  -1.489  -3.240
  370    HA   GLU  50           HA       GLU  50   9.406  -3.589  -1.482
  371   1HB   GLU  50          2HB       GLU  50   9.240  -1.448  -0.651
  372   2HB   GLU  50          1HB       GLU  50   7.977  -0.987  -1.806
  373   1HG   GLU  50          2HG       GLU  50   7.127  -1.444   0.665
  374   2HG   GLU  50          1HG       GLU  50   6.296  -2.369  -0.563
  375    H    CYS  51           H        CYS  51   6.974  -2.115  -3.385
  376    HA   CYS  51           HA       CYS  51   4.702  -3.768  -3.054
  377   1HB   CYS  51          2HB       CYS  51   4.652  -1.662  -4.334
  378   2HB   CYS  51          1HB       CYS  51   5.727  -2.318  -5.512
  379    H    GLU  52           H        GLU  52   7.124  -4.104  -5.621
  380    HA   GLU  52           HA       GLU  52   6.198  -6.632  -6.681
  381   1HB   GLU  52          2HB       GLU  52   7.979  -4.991  -7.630
  382   2HB   GLU  52          1HB       GLU  52   9.052  -5.490  -6.339
  383   1HG   GLU  52          2HG       GLU  52   8.845  -7.914  -7.324
  384   2HG   GLU  52          1HG       GLU  52   8.089  -7.168  -8.716
  385    H    LYS  53           H        LYS  53   8.557  -5.990  -4.152
  386    HA   LYS  53           HA       LYS  53   8.841  -8.733  -3.463
  387   1HB   LYS  53          2HB       LYS  53  10.454  -6.953  -2.995
  388   2HB   LYS  53          1HB       LYS  53   9.370  -6.045  -2.025
  389   1HG   LYS  53          2HG       LYS  53   9.726  -8.732  -0.859
  390   2HG   LYS  53          1HG       LYS  53  11.282  -8.060  -1.257
  391   1HD   LYS  53          2HD       LYS  53  11.004  -7.143   0.899
  392   2HD   LYS  53          1HD       LYS  53  10.398  -5.831  -0.072
  393   1HE   LYS  53          2HE       LYS  53   8.646  -7.939   1.223
  394   2HE   LYS  53          1HE       LYS  53   8.967  -6.330   1.869
  395   1HZ   LYS  53          1HZ       LYS  53   8.146  -5.860  -0.735
  396   2HZ   LYS  53          3HZ       LYS  53   7.082  -7.037  -0.142
  397   3HZ   LYS  53          2HZ       LYS  53   7.372  -5.559   0.647
  398    H    VAL  54           H        VAL  54   5.937  -7.305  -3.271
  399    HA   VAL  54           HA       VAL  54   5.025  -8.759  -0.842
  400    HB   VAL  54           HB       VAL  54   4.085  -6.285  -2.286
  401   1HG1  VAL  54          3HG1      VAL  54   2.871  -7.755   0.155
  402   2HG1  VAL  54          2HG1      VAL  54   2.278  -6.225  -0.444
  403   3HG1  VAL  54          1HG1      VAL  54   2.122  -7.656  -1.431
  404   1HG2  VAL  54          3HG2      VAL  54   5.127  -6.641   0.557
  405   2HG2  VAL  54          2HG2      VAL  54   5.862  -5.771  -0.800
  406   3HG2  VAL  54          1HG2      VAL  54   4.441  -5.166  -0.064
  407    H    CYS  55           H        CYS  55   4.083  -7.645  -4.044
  408    HA   CYS  55           HA       CYS  55   2.150  -9.914  -4.322
  409   1HB   CYS  55          2HB       CYS  55   2.606  -7.373  -5.903
  410   2HB   CYS  55          1HB       CYS  55   1.481  -8.609  -6.419
  411    H    ALA  56           H        ALA  56   5.282  -9.112  -5.485
  412    HA   ALA  56           HA       ALA  56   5.184 -11.255  -7.586
  413   1HB   ALA  56          2HB       ALA  56   5.949  -8.919  -8.251
  414   2HB   ALA  56          1HB       ALA  56   7.215  -9.065  -7.050
  415   3HB   ALA  56          3HB       ALA  56   7.241 -10.115  -8.424
  416    HA   PRO  57           HA       PRO  57   7.400 -12.882  -3.764
  417   1HB   PRO  57          2HB       PRO  57   6.129 -15.251  -3.471
  418   2HB   PRO  57          1HB       PRO  57   5.348 -13.730  -3.007
  419   1HG   PRO  57          2HG       PRO  57   5.175 -15.148  -5.743
  420   2HG   PRO  57          1HG       PRO  57   3.809 -14.783  -4.675
  421   1HD   PRO  57          2HD       PRO  57   4.402 -13.016  -6.606
  422   2HD   PRO  57          1HD       PRO  57   4.101 -12.401  -4.962
  423    H    VAL  58           HN       VAL  58   9.248 -12.861  -5.270
  424    HA   VAL  58           HA       VAL  58  10.144 -15.634  -5.895
  425    HB   VAL  58           HB       VAL  58  11.485 -14.522  -7.862
  426   1HG1  VAL  58          3HG1      VAL  58   9.178 -15.488  -8.296
  427   2HG1  VAL  58          2HG1      VAL  58   8.482 -13.923  -7.903
  428   3HG1  VAL  58          1HG1      VAL  58   9.500 -14.094  -9.329
  429   1HG2  VAL  58          3HG2      VAL  58  11.589 -12.292  -6.871
  430   2HG2  VAL  58          2HG2      VAL  58  10.929 -12.202  -8.498
  431   3HG2  VAL  58          1HG2      VAL  58   9.871 -12.059  -7.103
   
  No H/Q in entry =         431
  Start of MODEL   18
    1   1H    GLU   1          1H        GLU   1  -5.287 -15.364  -0.933
    2   2H    GLU   1          3H        GLU   1  -5.682 -16.978  -0.588
    3   3H    GLU   1          2H        GLU   1  -6.732 -16.026  -1.464
    4    HA   GLU   1           HA       GLU   1  -7.784 -15.370   0.329
    5   1HB   GLU   1          2HB       GLU   1  -5.750 -17.220   1.668
    6   2HB   GLU   1          1HB       GLU   1  -7.074 -16.499   2.566
    7   1HG   GLU   1          2HG       GLU   1  -7.590 -18.858   1.528
    8   2HG   GLU   1          1HG       GLU   1  -8.768 -17.633   1.105
    9    H    THR   2           H        THR   2  -6.918 -13.269  -0.162
   10    HA   THR   2           HA       THR   2  -6.768 -11.054   0.890
   11    HB   THR   2           HB       THR   2  -6.080 -12.409   3.257
   12    HG1  THR   2           HG1      THR   2  -5.370  -9.736   3.107
   13   1HG2  THR   2          1HG2      THR   2  -3.521 -12.318   2.625
   14   2HG2  THR   2          3HG2      THR   2  -3.716 -10.570   2.642
   15   3HG2  THR   2          2HG2      THR   2  -4.030 -11.496   4.092
   16    H    ASP   3           H        ASP   3  -6.112 -11.906  -1.198
   17    HA   ASP   3           HA       ASP   3  -3.372 -11.781  -2.095
   18   1HB   ASP   3          2HB       ASP   3  -6.064 -12.057  -3.579
   19   2HB   ASP   3          1HB       ASP   3  -4.501 -12.697  -4.088
   20    H    ILE   4           H        ILE   4  -3.333  -9.685  -1.068
   21    HA   ILE   4           HA       ILE   4  -4.402  -7.215  -1.620
   22    HB   ILE   4           HB       ILE   4  -2.356  -6.172  -1.013
   23   1HG1  ILE   4          2HG1      ILE   4  -0.169  -7.751  -0.996
   24   2HG1  ILE   4          1HG1      ILE   4  -0.967  -8.463  -2.376
   25   1HG2  ILE   4          1HG2      ILE   4  -3.201  -7.569   0.822
   26   2HG2  ILE   4          3HG2      ILE   4  -2.232  -8.928   0.295
   27   3HG2  ILE   4          2HG2      ILE   4  -1.467  -7.466   0.874
   28   1HD1  ILE   4          2HD1      ILE   4  -1.181  -6.110  -3.391
   29   2HD1  ILE   4          1HD1      ILE   4  -0.370  -5.486  -1.970
   30   3HD1  ILE   4          3HD1      ILE   4   0.491  -6.525  -3.084
   31    H    CYS   5           H        CYS   5  -2.532  -9.028  -3.723
   32    HA   CYS   5           HA       CYS   5  -2.079  -7.124  -5.893
   33   1HB   CYS   5          2HB       CYS   5  -2.062 -10.142  -5.737
   34   2HB   CYS   5          1HB       CYS   5  -1.842  -9.341  -7.271
   35    H    LYS   6           H        LYS   6  -4.837  -7.932  -4.780
   36    HA   LYS   6           HA       LYS   6  -6.457  -7.979  -7.309
   37   1HB   LYS   6          2HB       LYS   6  -7.257  -8.735  -4.455
   38   2HB   LYS   6          1HB       LYS   6  -8.329  -8.834  -5.816
   39   1HG   LYS   6          2HG       LYS   6  -5.807 -10.539  -5.526
   40   2HG   LYS   6          1HG       LYS   6  -7.343 -10.981  -4.879
   41   1HD   LYS   6          2HD       LYS   6  -7.201 -12.149  -6.981
   42   2HD   LYS   6          1HD       LYS   6  -8.438 -10.934  -7.092
   43   1HE   LYS   6          2HE       LYS   6  -7.051 -11.112  -9.145
   44   2HE   LYS   6          1HE       LYS   6  -7.046  -9.497  -8.459
   45   1HZ   LYS   6          3HZ       LYS   6  -5.082 -10.992  -7.125
   46   2HZ   LYS   6          2HZ       LYS   6  -4.800 -11.267  -8.771
   47   3HZ   LYS   6          1HZ       LYS   6  -4.803  -9.689  -8.148
   48    H    LEU   7           H        LEU   7  -5.365  -5.974  -4.935
   49    HA   LEU   7           HA       LEU   7  -7.644  -4.206  -4.931
   50   1HB   LEU   7          2HB       LEU   7  -5.190  -4.127  -3.147
   51   2HB   LEU   7          1HB       LEU   7  -6.753  -3.395  -2.848
   52    HG   LEU   7           HG       LEU   7  -6.191  -6.419  -2.902
   53   1HD1  LEU   7          1HD1      LEU   7  -5.388  -5.219  -0.853
   54   2HD1  LEU   7          3HD1      LEU   7  -7.029  -4.636  -0.601
   55   3HD1  LEU   7          2HD1      LEU   7  -6.689  -6.341  -0.519
   56   1HD2  LEU   7          2HD2      LEU   7  -8.753  -4.858  -2.257
   57   2HD2  LEU   7          1HD2      LEU   7  -8.514  -5.822  -3.700
   58   3HD2  LEU   7          3HD2      LEU   7  -8.566  -6.599  -2.135
   59    HA   PRO   8           HA       PRO   8  -4.698  -2.193  -8.070
   60   1HB   PRO   8          2HB       PRO   8  -6.712  -1.349  -9.721
   61   2HB   PRO   8          1HB       PRO   8  -6.143  -3.017  -9.715
   62   1HG   PRO   8          2HG       PRO   8  -8.456  -1.856  -8.045
   63   2HG   PRO   8          1HG       PRO   8  -8.571  -3.122  -9.275
   64   1HD   PRO   8          2HD       PRO   8  -8.281  -3.857  -6.763
   65   2HD   PRO   8          1HD       PRO   8  -7.205  -4.643  -7.940
   66    H    LYS   9           H        LYS   9  -5.572  -0.119  -9.117
   67    HA   LYS   9           HA       LYS   9  -4.662   2.123  -7.715
   68   1HB   LYS   9          2HB       LYS   9  -6.832   2.106  -9.861
   69   2HB   LYS   9          1HB       LYS   9  -5.839   3.478  -9.432
   70   1HG   LYS   9          2HG       LYS   9  -3.804   2.411 -10.242
   71   2HG   LYS   9          1HG       LYS   9  -4.600   0.874 -10.501
   72   1HD   LYS   9          2HD       LYS   9  -6.039   1.866 -12.287
   73   2HD   LYS   9          1HD       LYS   9  -5.448   3.468 -11.904
   74   1HE   LYS   9          2HE       LYS   9  -4.354   2.734 -13.943
   75   2HE   LYS   9          1HE       LYS   9  -3.162   2.783 -12.656
   76   1HZ   LYS   9          3HZ       LYS   9  -4.235   0.138 -12.613
   77   2HZ   LYS   9          2HZ       LYS   9  -3.761   0.464 -14.194
   78   3HZ   LYS   9          1HZ       LYS   9  -2.772   0.656 -12.930
   79    H    ASP  10           H        ASP  10  -5.717   1.539  -5.590
   80    HA   ASP  10           HA       ASP  10  -8.365   2.747  -5.043
   81   1HB   ASP  10          2HB       ASP  10  -7.979   0.463  -4.284
   82   2HB   ASP  10          1HB       ASP  10  -6.428   0.952  -3.612
   83    H    GLU  11           H        GLU  11  -6.923   4.781  -5.624
   84    HA   GLU  11           HA       GLU  11  -5.185   6.122  -4.123
   85   1HB   GLU  11          2HB       GLU  11  -7.817   7.364  -5.081
   86   2HB   GLU  11          1HB       GLU  11  -6.318   8.232  -4.844
   87   1HG   GLU  11          2HG       GLU  11  -6.658   6.038  -6.977
   88   2HG   GLU  11          1HG       GLU  11  -6.736   7.746  -7.266
   89    H    GLY  12           H        GLY  12  -8.324   5.536  -3.078
   90   1HA   GLY  12          2HA       GLY  12  -9.018   5.314  -0.728
   91   2HA   GLY  12          1HA       GLY  12  -7.832   6.540  -0.288
   92    H    THR  13           H        THR  13 -10.260   6.964   0.726
   93    HA   THR  13           HA       THR  13 -11.719   8.886  -1.110
   94    HB   THR  13           HB       THR  13 -13.210   7.174  -0.163
   95    HG1  THR  13           HG1      THR  13 -13.392   9.590   1.303
   96   1HG2  THR  13          1HG2      THR  13 -12.449   8.287   2.596
   97   2HG2  THR  13          3HG2      THR  13 -13.649   7.068   2.232
   98   3HG2  THR  13          2HG2      THR  13 -11.945   6.703   2.030
   99    H    CYS  14           H        CYS  14  -9.652  10.001  -0.640
  100    HA   CYS  14           HA       CYS  14  -9.969  11.938   1.632
  101   1HB   CYS  14          2HB       CYS  14  -7.819  10.195   0.836
  102   2HB   CYS  14          1HB       CYS  14  -7.225  11.828   0.824
  103    H    ARG  15           H        ARG  15  -8.148  13.703   1.196
  104    HA   ARG  15           HA       ARG  15  -8.996  15.186  -1.289
  105   1HB   ARG  15          2HB       ARG  15  -9.846  15.923   1.037
  106   2HB   ARG  15          1HB       ARG  15  -8.202  16.445   1.330
  107   1HG   ARG  15          2HG       ARG  15  -8.384  17.869  -0.845
  108   2HG   ARG  15          1HG       ARG  15 -10.085  17.446  -0.885
  109   1HD   ARG  15          2HD       ARG  15  -9.913  19.571   0.235
  110   2HD   ARG  15          1HD       ARG  15 -10.241  18.379   1.509
  111    HE   ARG  15           HE       ARG  15  -7.611  18.278   1.776
  112   1HH1  ARG  15          2HH1      ARG  15  -6.042  19.324   0.912
  113   2HH1  ARG  15          1HH1      ARG  15  -5.884  20.993   1.205
  114   1HH2  ARG  15          1HH2      ARG  15  -9.277  20.885   2.121
  115   2HH2  ARG  15          2HH2      ARG  15  -7.941  21.998   1.983
  116    H    ASP  16           H        ASP  16  -6.067  15.042   0.816
  117    HA   ASP  16           HA       ASP  16  -4.566  16.580  -1.194
  118   1HB   ASP  16          2HB       ASP  16  -4.080  15.696   1.681
  119   2HB   ASP  16          1HB       ASP  16  -2.972  16.695   0.753
  120    H    PHE  17           H        PHE  17  -5.018  14.572  -2.449
  121    HA   PHE  17           HA       PHE  17  -3.912  12.117  -2.639
  122   1HB   PHE  17          2HB       PHE  17  -3.748  14.160  -4.888
  123   2HB   PHE  17          1HB       PHE  17  -3.804  12.422  -5.072
  124    HD1  PHE  17           HD1      PHE  17  -5.801  11.114  -4.252
  125    HD2  PHE  17           HD2      PHE  17  -5.829  15.356  -4.447
  126    HE1  PHE  17           HE1      PHE  17  -8.248  11.100  -4.065
  127    HE2  PHE  17           HE2      PHE  17  -8.268  15.347  -4.261
  128    HZ   PHE  17           HZ       PHE  17  -9.487  13.220  -4.067
  129    H    ILE  18           H        ILE  18  -2.139  11.284  -2.012
  130    HA   ILE  18           HA       ILE  18   0.512  12.543  -2.783
  131    HB   ILE  18           HB       ILE  18   0.114  12.162  -0.299
  132   1HG1  ILE  18          2HG1      ILE  18   2.396  12.235  -1.490
  133   2HG1  ILE  18          1HG1      ILE  18   2.336  11.697   0.162
  134   1HG2  ILE  18          3HG2      ILE  18   0.403   9.203  -0.952
  135   2HG2  ILE  18          2HG2      ILE  18   0.436   9.903   0.661
  136   3HG2  ILE  18          1HG2      ILE  18  -1.047   9.980  -0.288
  137   1HD1  ILE  18          3HD1      ILE  18   2.616   9.835  -2.265
  138   2HD1  ILE  18          2HD1      ILE  18   3.881  10.303  -1.160
  139   3HD1  ILE  18          1HD1      ILE  18   2.560   9.325  -0.585
  140    H    LEU  19           H        LEU  19   1.971  11.484  -4.012
  141    HA   LEU  19           HA       LEU  19   1.009   9.320  -5.567
  142   1HB   LEU  19          2HB       LEU  19   1.877  11.310  -6.587
  143   2HB   LEU  19          1HB       LEU  19   3.385  11.173  -5.742
  144    HG   LEU  19           HG       LEU  19   3.777   9.077  -6.826
  145   1HD1  LEU  19          3HD1      LEU  19   1.323   9.659  -8.526
  146   2HD1  LEU  19          2HD1      LEU  19   2.488   8.431  -8.947
  147   3HD1  LEU  19          1HD1      LEU  19   1.561   8.275  -7.478
  148   1HD2  LEU  19          2HD2      LEU  19   4.717  11.133  -7.970
  149   2HD2  LEU  19          1HD2      LEU  19   4.244   9.979  -9.208
  150   3HD2  LEU  19          3HD2      LEU  19   3.198  11.316  -8.821
  151    H    LYS  20           H        LYS  20   1.263   7.307  -4.690
  152    HA   LYS  20           HA       LYS  20   3.974   6.328  -3.670
  153   1HB   LYS  20          2HB       LYS  20   1.196   5.368  -2.938
  154   2HB   LYS  20          1HB       LYS  20   2.671   4.667  -2.302
  155   1HG   LYS  20          2HG       LYS  20   3.340   6.626  -1.130
  156   2HG   LYS  20          1HG       LYS  20   2.260   7.657  -2.039
  157   1HD   LYS  20          2HD       LYS  20   1.392   5.572   0.011
  158   2HD   LYS  20          1HD       LYS  20   1.449   7.311   0.283
  159   1HE   LYS  20          2HE       LYS  20   0.106   7.332  -1.993
  160   2HE   LYS  20          1HE       LYS  20  -0.376   5.714  -1.509
  161   1HZ   LYS  20          1HZ       LYS  20  -0.623   7.506   0.731
  162   2HZ   LYS  20          3HZ       LYS  20  -1.504   8.117  -0.582
  163   3HZ   LYS  20          2HZ       LYS  20  -1.822   6.577  -0.046
  164    H    TRP  21           H        TRP  21   3.783   3.520  -3.713
  165    HA   TRP  21           HA       TRP  21   3.403   2.973  -6.645
  166   1HB   TRP  21          2HB       TRP  21   5.169   1.510  -4.615
  167   2HB   TRP  21          1HB       TRP  21   4.968   1.026  -6.278
  168    HD1  TRP  21           HD1      TRP  21   6.647   3.752  -4.126
  169    HE1  TRP  21           HE1      TRP  21   8.421   4.797  -5.660
  170    HE3  TRP  21           HE3      TRP  21   5.606   1.411  -8.446
  171    HZ2  TRP  21           HZ2      TRP  21   9.321   4.688  -8.325
  172    HZ3  TRP  21           HZ3      TRP  21   6.923   1.838 -10.490
  173    HH2  TRP  21           HH2      TRP  21   8.794   3.470 -10.448
  174    H    TYR  22           H        TYR  22   2.372   1.034  -7.268
  175    HA   TYR  22           HA       TYR  22   1.293  -0.733  -5.142
  176   1HB   TYR  22          2HB       TYR  22  -1.068  -0.301  -5.577
  177   2HB   TYR  22          1HB       TYR  22  -0.305   1.269  -5.592
  178    HD1  TYR  22           HD1      TYR  22   0.395   2.275  -7.814
  179    HD2  TYR  22           HD2      TYR  22  -2.110  -1.146  -7.533
  180    HE1  TYR  22           HE1      TYR  22  -0.285   2.523 -10.171
  181    HE2  TYR  22           HE2      TYR  22  -2.766  -0.878  -9.881
  182    HH   TYR  22           HH       TYR  22  -1.154   0.575 -11.907
  183    H    TYR  23           H        TYR  23   0.534  -2.712  -5.936
  184    HA   TYR  23           HA       TYR  23   1.752  -3.612  -8.418
  185   1HB   TYR  23          2HB       TYR  23   1.434  -5.072  -6.356
  186   2HB   TYR  23          1HB       TYR  23  -0.306  -5.016  -6.617
  187    HD1  TYR  23           HD1      TYR  23   2.869  -6.034  -8.231
  188    HD2  TYR  23           HD2      TYR  23  -1.356  -6.296  -8.334
  189    HE1  TYR  23           HE1      TYR  23   3.027  -7.728  -9.972
  190    HE2  TYR  23           HE2      TYR  23  -1.205  -8.012 -10.109
  191    HH   TYR  23           HH       TYR  23   1.969  -8.988 -11.274
  192    H    ASP  24           H        ASP  24   0.903  -3.312 -10.365
  193    HA   ASP  24           HA       ASP  24  -1.998  -2.699 -10.582
  194   1HB   ASP  24          2HB       ASP  24  -0.268  -1.050 -11.294
  195   2HB   ASP  24          1HB       ASP  24   0.071  -2.107 -12.640
  196    HA   PRO  25           HA       PRO  25  -1.578  -7.077 -12.131
  197   1HB   PRO  25          2HB       PRO  25  -4.345  -7.418 -12.656
  198   2HB   PRO  25          1HB       PRO  25  -3.622  -7.636 -11.053
  199   1HG   PRO  25          2HG       PRO  25  -4.836  -5.062 -12.204
  200   2HG   PRO  25          1HG       PRO  25  -5.259  -5.855 -10.683
  201   1HD   PRO  25          2HD       PRO  25  -3.551  -3.847 -10.595
  202   2HD   PRO  25          1HD       PRO  25  -3.033  -5.307  -9.721
  203    H    ASN  26           H        ASN  26  -2.468  -4.417 -13.771
  204    HA   ASN  26           HA       ASN  26  -2.850  -5.436 -16.479
  205   1HB   ASN  26          2HB       ASN  26  -3.943  -3.358 -15.513
  206   2HB   ASN  26          1HB       ASN  26  -2.373  -2.613 -15.363
  207   1HD2  ASN  26          2HD2      ASN  26  -2.744  -2.832 -19.217
  208   2HD2  ASN  26          1HD2      ASN  26  -2.053  -4.107 -18.321
  209    H    THR  27           H        THR  27  -0.166  -4.089 -14.667
  210    HA   THR  27           HA       THR  27   1.684  -4.293 -17.047
  211    HB   THR  27           HB       THR  27   3.398  -3.107 -15.685
  212    HG1  THR  27           HG1      THR  27   3.415  -3.524 -13.599
  213   1HG2  THR  27          1HG2      THR  27   0.737  -2.102 -14.565
  214   2HG2  THR  27          3HG2      THR  27   2.239  -1.212 -14.609
  215   3HG2  THR  27          2HG2      THR  27   1.370  -1.558 -16.101
  216    H    LYS  28           H        LYS  28   0.998  -5.366 -13.951
  217    HA   LYS  28           HA       LYS  28   1.061  -7.269 -12.868
  218   1HB   LYS  28          2HB       LYS  28   2.885  -8.310 -15.161
  219   2HB   LYS  28          1HB       LYS  28   2.243  -9.350 -13.937
  220   1HG   LYS  28          2HG       LYS  28   0.005  -7.833 -14.930
  221   2HG   LYS  28          1HG       LYS  28   0.957  -8.122 -16.320
  222   1HD   LYS  28          2HD       LYS  28  -0.724 -10.059 -16.034
  223   2HD   LYS  28          1HD       LYS  28   0.920 -10.628 -15.990
  224   1HE   LYS  28          2HE       LYS  28  -0.581 -11.564 -14.192
  225   2HE   LYS  28          1HE       LYS  28   0.909 -10.856 -13.593
  226   1HZ   LYS  28          2HZ       LYS  28  -1.052  -8.824 -13.908
  227   2HZ   LYS  28          1HZ       LYS  28  -1.720 -10.041 -12.954
  228   3HZ   LYS  28          3HZ       LYS  28  -0.237  -9.317 -12.490
  229    H    SER  29           H        SER  29   2.885  -5.234 -12.907
  230    HA   SER  29           HA       SER  29   4.857  -6.126 -10.870
  231   1HB   SER  29          2HB       SER  29   6.609  -4.773 -11.969
  232   2HB   SER  29          1HB       SER  29   5.827  -5.592 -13.317
  233    HG   SER  29           HG       SER  29   5.806  -3.003 -12.569
  234    H    CYS  30           H        CYS  30   5.468  -3.097 -10.661
  235    HA   CYS  30           HA       CYS  30   2.759  -2.134  -9.831
  236   1HB   CYS  30          2HB       CYS  30   5.328  -2.078  -8.333
  237   2HB   CYS  30          1HB       CYS  30   3.852  -1.428  -7.686
  238    H    ALA  31           H        ALA  31   2.420   0.043  -9.806
  239    HA   ALA  31           HA       ALA  31   4.507   1.787 -11.060
  240   1HB   ALA  31          3HB       ALA  31   1.542   1.564 -11.889
  241   2HB   ALA  31          2HB       ALA  31   2.703   2.685 -12.597
  242   3HB   ALA  31          1HB       ALA  31   2.905   0.960 -12.811
  243    H    ARG  32           H        ARG  32   3.203   4.164 -10.924
  244    HA   ARG  32           HA       ARG  32   2.639   4.373  -8.074
  245   1HB   ARG  32          2HB       ARG  32   3.883   6.237 -10.096
  246   2HB   ARG  32          1HB       ARG  32   3.705   6.677  -8.385
  247   1HG   ARG  32          2HG       ARG  32   5.164   4.689  -7.893
  248   2HG   ARG  32          1HG       ARG  32   5.183   4.260  -9.566
  249   1HD   ARG  32          2HD       ARG  32   7.114   5.427  -9.590
  250   2HD   ARG  32          1HD       ARG  32   5.977   6.603 -10.126
  251    HE   ARG  32           HE       ARG  32   7.427   7.500  -8.305
  252   1HH1  ARG  32          2HH1      ARG  32   6.275   5.205  -6.623
  253   2HH1  ARG  32          1HH1      ARG  32   5.526   6.146  -5.378
  254   1HH2  ARG  32          1HH2      ARG  32   5.885   8.969  -7.258
  255   2HH2  ARG  32          2HH2      ARG  32   5.334   8.347  -5.740
  256    H    PHE  33           H        PHE  33   1.214   5.894  -7.263
  257    HA   PHE  33           HA       PHE  33  -0.761   7.120  -9.110
  258   1HB   PHE  33          2HB       PHE  33  -2.671   5.906  -8.155
  259   2HB   PHE  33          1HB       PHE  33  -1.553   4.847  -8.941
  260    HD1  PHE  33           HD1      PHE  33   0.302   4.767  -6.210
  261    HD2  PHE  33           HD2      PHE  33  -3.752   4.127  -7.231
  262    HE1  PHE  33           HE1      PHE  33   0.094   3.197  -4.357
  263    HE2  PHE  33           HE2      PHE  33  -3.997   2.536  -5.386
  264    HZ   PHE  33           HZ       PHE  33  -2.045   2.059  -3.923
  265    H    TRP  34           H        TRP  34  -2.153   8.591  -8.334
  266    HA   TRP  34           HA       TRP  34  -1.190  10.221  -6.093
  267   1HB   TRP  34          2HB       TRP  34  -3.415  10.444  -8.236
  268   2HB   TRP  34          1HB       TRP  34  -3.316  11.613  -6.992
  269    HD1  TRP  34           HD1      TRP  34  -2.486  11.214 -10.160
  270    HE1  TRP  34           HE1      TRP  34  -0.489  12.746 -10.852
  271    HE3  TRP  34           HE3      TRP  34  -0.654  12.376  -5.646
  272    HZ2  TRP  34           HZ2      TRP  34   1.544  14.262  -9.663
  273    HZ3  TRP  34           HZ3      TRP  34   1.268  13.925  -5.410
  274    HH2  TRP  34           HH2      TRP  34   2.381  14.844  -7.402
  275    H    TYR  35           H        TYR  35  -1.670   8.361  -4.781
  276    HA   TYR  35           HA       TYR  35  -4.185   7.677  -3.819
  277   1HB   TYR  35          2HB       TYR  35  -1.871   6.592  -3.830
  278   2HB   TYR  35          1HB       TYR  35  -1.696   7.551  -2.376
  279    HD1  TYR  35           HD1      TYR  35  -3.630   6.967  -0.394
  280    HD2  TYR  35           HD2      TYR  35  -2.755   4.725  -3.856
  281    HE1  TYR  35           HE1      TYR  35  -4.797   5.003   0.567
  282    HE2  TYR  35           HE2      TYR  35  -3.925   2.759  -2.888
  283    HH   TYR  35           HH       TYR  35  -5.839   2.567  -1.219
  284    H    GLY  36           H        GLY  36  -5.331   9.418  -3.286
  285   1HA   GLY  36          2HA       GLY  36  -5.473  11.514  -1.614
  286   2HA   GLY  36          1HA       GLY  36  -6.644  10.251  -1.365
  287    H    GLY  37           H        GLY  37  -5.338   8.365  -0.223
  288   1HA   GLY  37          2HA       GLY  37  -3.627   8.088   1.748
  289   2HA   GLY  37          1HA       GLY  37  -4.351   9.525   2.413
  290    H    CYS  38           H        CYS  38  -6.603   9.338   2.984
  291    HA   CYS  38           HA       CYS  38  -7.514   8.201   5.031
  292   1HB   CYS  38          2HB       CYS  38  -8.873   8.069   2.367
  293   2HB   CYS  38          1HB       CYS  38  -9.716   7.679   3.844
  294    H    GLY  39           H        GLY  39  -5.909   6.385   5.273
  295   1HA   GLY  39          2HA       GLY  39  -5.782   4.129   6.134
  296   2HA   GLY  39          1HA       GLY  39  -7.408   3.848   5.542
  297    H    GLY  40           H        GLY  40  -7.533   3.804   3.181
  298   1HA   GLY  40          2HA       GLY  40  -7.096   2.681   1.112
  299   2HA   GLY  40          1HA       GLY  40  -5.422   3.044   1.435
  300    H    ASN  41           H        ASN  41  -6.515   0.737   0.133
  301    HA   ASN  41           HA       ASN  41  -6.484  -1.575   1.836
  302   1HB   ASN  41          2HB       ASN  41  -6.642  -2.775  -0.232
  303   2HB   ASN  41          1HB       ASN  41  -7.412  -1.235  -0.537
  304   1HD2  ASN  41          2HD2      ASN  41  -5.424  -0.813  -3.314
  305   2HD2  ASN  41          1HD2      ASN  41  -6.910  -0.573  -2.539
  306    H    GLU  42           H        GLU  42  -4.935  -3.536   1.043
  307    HA   GLU  42           HA       GLU  42  -2.321  -2.868   2.162
  308   1HB   GLU  42          2HB       GLU  42  -3.592  -5.515   1.265
  309   2HB   GLU  42          1HB       GLU  42  -2.127  -5.399   2.211
  310   1HG   GLU  42          2HG       GLU  42  -3.301  -4.486   4.110
  311   2HG   GLU  42          1HG       GLU  42  -4.766  -4.203   3.198
  312    H    ASN  43           H        ASN  43  -2.655  -1.897  -0.259
  313    HA   ASN  43           HA       ASN  43  -0.399  -3.217  -1.789
  314   1HB   ASN  43          2HB       ASN  43  -2.757  -3.013  -2.789
  315   2HB   ASN  43          1HB       ASN  43  -2.548  -1.283  -2.794
  316   1HD2  ASN  43          2HD2      ASN  43  -1.559  -2.686  -6.102
  317   2HD2  ASN  43          1HD2      ASN  43  -2.996  -2.639  -5.191
  318    H    LYS  44           H        LYS  44  -1.408   0.159  -2.057
  319    HA   LYS  44           HA       LYS  44   0.681   1.695  -2.511
  320   1HB   LYS  44          2HB       LYS  44  -0.068   3.304  -0.797
  321   2HB   LYS  44          1HB       LYS  44  -1.451   2.486  -1.507
  322   1HG   LYS  44          2HG       LYS  44  -1.207   0.812   0.538
  323   2HG   LYS  44          1HG       LYS  44  -0.207   2.056   1.254
  324   1HD   LYS  44          2HD       LYS  44  -2.240   3.663   0.475
  325   2HD   LYS  44          1HD       LYS  44  -3.118   2.158   0.438
  326   1HE   LYS  44          2HE       LYS  44  -1.696   3.124   2.917
  327   2HE   LYS  44          1HE       LYS  44  -3.363   3.514   2.522
  328   1HZ   LYS  44          3HZ       LYS  44  -3.109   0.735   2.167
  329   2HZ   LYS  44          2HZ       LYS  44  -2.386   1.068   3.640
  330   3HZ   LYS  44          1HZ       LYS  44  -3.965   1.541   3.342
  331    H    PHE  45           H        PHE  45   2.611   1.117  -2.535
  332    HA   PHE  45           HA       PHE  45   4.208   0.775  -0.052
  333   1HB   PHE  45          2HB       PHE  45   4.821  -0.099  -2.913
  334   2HB   PHE  45          1HB       PHE  45   5.823  -0.446  -1.524
  335    HD1  PHE  45           HD1      PHE  45   4.800  -1.864   0.363
  336    HD2  PHE  45           HD2      PHE  45   3.072  -1.548  -3.507
  337    HE1  PHE  45           HE1      PHE  45   3.568  -3.943   0.734
  338    HE2  PHE  45           HE2      PHE  45   1.848  -3.635  -3.148
  339    HZ   PHE  45           HZ       PHE  45   2.086  -4.841  -1.009
  340    H    GLY  46           H        GLY  46   6.412   1.433  -0.150
  341   1HA   GLY  46          2HA       GLY  46   6.775   4.273  -0.892
  342   2HA   GLY  46          1HA       GLY  46   7.979   3.278  -0.076
  343    H    SER  47           H        SER  47   7.856   1.236  -2.121
  344    HA   SER  47           HA       SER  47   8.958   2.525  -4.560
  345   1HB   SER  47          2HB       SER  47  10.572   0.888  -2.685
  346   2HB   SER  47          1HB       SER  47  10.964   0.907  -4.422
  347    HG   SER  47           HG       SER  47  10.320   3.328  -3.082
  348    H    GLN  48           H        GLN  48   9.216   1.129  -6.419
  349    HA   GLN  48           HA       GLN  48   7.037  -0.674  -6.668
  350   1HB   GLN  48          2HB       GLN  48   8.108   0.309  -8.717
  351   2HB   GLN  48          1HB       GLN  48   9.622  -0.495  -8.364
  352   1HG   GLN  48          2HG       GLN  48   8.851  -2.601  -9.117
  353   2HG   GLN  48          1HG       GLN  48   7.193  -2.339  -8.748
  354   1HE2  GLN  48          2HE2      GLN  48   8.240  -0.534 -12.175
  355   2HE2  GLN  48          1HE2      GLN  48   9.060  -0.082 -10.742
  356    H    LYS  49           H        LYS  49  10.398  -1.523  -6.435
  357    HA   LYS  49           HA       LYS  49  10.162  -4.296  -6.306
  358   1HB   LYS  49          2HB       LYS  49  12.332  -3.048  -6.361
  359   2HB   LYS  49          1HB       LYS  49  12.038  -2.339  -4.789
  360   1HG   LYS  49          2HG       LYS  49  11.965  -5.230  -4.432
  361   2HG   LYS  49          1HG       LYS  49  13.275  -4.931  -5.544
  362   1HD   LYS  49          2HD       LYS  49  14.223  -4.746  -3.269
  363   2HD   LYS  49          1HD       LYS  49  14.171  -3.132  -3.954
  364   1HE   LYS  49          2HE       LYS  49  11.709  -3.169  -2.829
  365   2HE   LYS  49          1HE       LYS  49  12.452  -4.353  -1.797
  366   1HZ   LYS  49          2HZ       LYS  49  14.294  -2.159  -2.021
  367   2HZ   LYS  49          1HZ       LYS  49  12.702  -1.614  -1.717
  368   3HZ   LYS  49          3HZ       LYS  49  13.311  -2.654  -0.680
  369    H    GLU  50           H        GLU  50   9.587  -2.135  -3.510
  370    HA   GLU  50           HA       GLU  50   9.249  -4.034  -1.515
  371   1HB   GLU  50          2HB       GLU  50   8.165  -1.436  -2.153
  372   2HB   GLU  50          1HB       GLU  50   7.250  -2.414  -0.981
  373   1HG   GLU  50          2HG       GLU  50   8.977  -0.937   0.160
  374   2HG   GLU  50          1HG       GLU  50   9.216  -2.642   0.432
  375    H    CYS  51           H        CYS  51   6.832  -2.696  -3.504
  376    HA   CYS  51           HA       CYS  51   4.588  -4.270  -3.021
  377   1HB   CYS  51          2HB       CYS  51   4.889  -2.157  -4.448
  378   2HB   CYS  51          1HB       CYS  51   5.574  -3.162  -5.669
  379    H    GLU  52           H        GLU  52   6.959  -4.863  -5.592
  380    HA   GLU  52           HA       GLU  52   5.868  -7.431  -6.307
  381   1HB   GLU  52          2HB       GLU  52   8.746  -6.330  -6.516
  382   2HB   GLU  52          1HB       GLU  52   8.140  -7.674  -7.464
  383   1HG   GLU  52          2HG       GLU  52   6.470  -6.160  -8.571
  384   2HG   GLU  52          1HG       GLU  52   6.952  -4.824  -7.557
  385    H    LYS  53           H        LYS  53   8.604  -6.723  -4.183
  386    HA   LYS  53           HA       LYS  53   8.861  -9.458  -3.433
  387   1HB   LYS  53          2HB       LYS  53   9.884  -6.805  -2.382
  388   2HB   LYS  53          1HB       LYS  53  10.176  -8.176  -1.359
  389   1HG   LYS  53          2HG       LYS  53  11.048  -7.880  -4.272
  390   2HG   LYS  53          1HG       LYS  53  12.118  -7.675  -2.906
  391   1HD   LYS  53          2HD       LYS  53  10.836 -10.265  -3.938
  392   2HD   LYS  53          1HD       LYS  53  12.519  -9.925  -3.758
  393   1HE   LYS  53          2HE       LYS  53  12.231 -11.336  -1.969
  394   2HE   LYS  53          1HE       LYS  53  11.932  -9.804  -1.149
  395   1HZ   LYS  53          2HZ       LYS  53   9.593 -10.662  -2.447
  396   2HZ   LYS  53          1HZ       LYS  53  10.108 -11.948  -1.763
  397   3HZ   LYS  53          3HZ       LYS  53   9.661 -10.562  -0.806
  398    H    VAL  54           H        VAL  54   6.435  -7.481  -2.552
  399    HA   VAL  54           HA       VAL  54   5.958  -8.721   0.112
  400    HB   VAL  54           HB       VAL  54   4.895  -6.310  -1.416
  401   1HG1  VAL  54          1HG1      VAL  54   3.937  -7.434   1.297
  402   2HG1  VAL  54          3HG1      VAL  54   3.391  -5.925   0.602
  403   3HG1  VAL  54          2HG1      VAL  54   2.970  -7.429  -0.168
  404   1HG2  VAL  54          1HG2      VAL  54   7.024  -6.053  -0.075
  405   2HG2  VAL  54          3HG2      VAL  54   5.736  -5.082   0.593
  406   3HG2  VAL  54          2HG2      VAL  54   6.193  -6.595   1.361
  407    H    CYS  55           H        CYS  55   4.411  -8.306  -3.046
  408    HA   CYS  55           HA       CYS  55   2.583 -10.606  -2.346
  409   1HB   CYS  55          2HB       CYS  55   1.517  -8.397  -2.590
  410   2HB   CYS  55          1HB       CYS  55   2.073  -8.298  -4.243
  411    H    ALA  56           H        ALA  56   4.925  -9.701  -4.815
  412    HA   ALA  56           HA       ALA  56   3.880 -11.658  -6.726
  413   1HB   ALA  56          3HB       ALA  56   5.215  -9.601  -7.387
  414   2HB   ALA  56          2HB       ALA  56   6.594 -10.253  -6.519
  415   3HB   ALA  56          1HB       ALA  56   6.039 -11.043  -7.966
  416    HA   PRO  57           HA       PRO  57   6.099 -15.212  -5.144
  417   1HB   PRO  57          2HB       PRO  57   6.536 -16.762  -7.306
  418   2HB   PRO  57          1HB       PRO  57   4.878 -16.326  -6.855
  419   1HG   PRO  57          2HG       PRO  57   6.721 -14.844  -8.833
  420   2HG   PRO  57          1HG       PRO  57   5.134 -15.527  -9.204
  421   1HD   PRO  57          2HD       PRO  57   5.367 -12.902  -8.494
  422   2HD   PRO  57          1HD       PRO  57   3.992 -13.839  -7.871
  423    H    VAL  58           HN       VAL  58   7.721 -13.185  -5.014
  424    HA   VAL  58           HA       VAL  58  10.412 -14.302  -5.276
  425    HB   VAL  58           HB       VAL  58  11.208 -11.925  -6.135
  426   1HG1  VAL  58          1HG1      VAL  58  11.103 -13.926  -7.652
  427   2HG1  VAL  58          3HG1      VAL  58   9.430 -13.564  -8.011
  428   3HG1  VAL  58          2HG1      VAL  58  10.696 -12.457  -8.531
  429   1HG2  VAL  58          3HG2      VAL  58   9.038 -10.749  -5.694
  430   2HG2  VAL  58          2HG2      VAL  58   9.506 -10.590  -7.381
  431   3HG2  VAL  58          1HG2      VAL  58   8.266 -11.743  -6.902
   
  No H/Q in entry =         431
  Start of MODEL   19
    1   1H    GLU   1          3H        GLU   1  -7.583 -13.377  -0.085
    2   2H    GLU   1          2H        GLU   1  -8.314 -14.497   0.941
    3   3H    GLU   1          1H        GLU   1  -9.215 -13.217   0.392
    4    HA   GLU   1           HA       GLU   1  -8.555 -11.906   2.095
    5   1HB   GLU   1          2HB       GLU   1  -7.112 -14.531   2.914
    6   2HB   GLU   1          1HB       GLU   1  -7.386 -13.204   4.022
    7   1HG   GLU   1          2HG       GLU   1  -9.173 -15.260   4.001
    8   2HG   GLU   1          1HG       GLU   1  -9.864 -13.667   4.093
    9    H    THR   2           H        THR   2  -6.741 -10.319   2.568
   10    HA   THR   2           HA       THR   2  -4.956  -9.148   1.518
   11    HB   THR   2           HB       THR   2  -3.757 -11.357   3.280
   12    HG1  THR   2           HG1      THR   2  -4.660  -8.681   3.555
   13   1HG2  THR   2          1HG2      THR   2  -2.860  -8.451   2.811
   14   2HG2  THR   2          3HG2      THR   2  -2.103  -9.641   3.844
   15   3HG2  THR   2          2HG2      THR   2  -2.009  -9.801   2.098
   16    H    ASP   3           H        ASP   3  -5.758 -10.329  -0.366
   17    HA   ASP   3           HA       ASP   3  -3.565 -11.577  -1.945
   18   1HB   ASP   3          2HB       ASP   3  -5.657 -12.524  -3.235
   19   2HB   ASP   3          1HB       ASP   3  -5.420 -13.107  -1.608
   20    H    ILE   4           H        ILE   4  -3.308  -9.123  -1.590
   21    HA   ILE   4           HA       ILE   4  -4.465  -7.051  -2.947
   22    HB   ILE   4           HB       ILE   4  -2.694  -6.594  -1.443
   23   1HG1  ILE   4          2HG1      ILE   4  -1.592  -5.975  -4.231
   24   2HG1  ILE   4          1HG1      ILE   4  -2.881  -5.087  -3.459
   25   1HG2  ILE   4          3HG2      ILE   4  -1.376  -8.718  -1.672
   26   2HG2  ILE   4          2HG2      ILE   4  -0.783  -8.206  -3.246
   27   3HG2  ILE   4          1HG2      ILE   4  -0.327  -7.342  -1.795
   28   1HD1  ILE   4          2HD1      ILE   4  -1.294  -4.484  -1.588
   29   2HD1  ILE   4          1HD1      ILE   4  -0.017  -5.377  -2.402
   30   3HD1  ILE   4          3HD1      ILE   4  -0.684  -3.951  -3.160
   31    H    CYS   5           H        CYS   5  -2.532  -9.444  -4.285
   32    HA   CYS   5           HA       CYS   5  -1.704  -8.471  -6.770
   33   1HB   CYS   5          2HB       CYS   5  -2.636 -11.224  -5.955
   34   2HB   CYS   5          1HB       CYS   5  -1.747 -10.893  -7.425
   35    H    LYS   6           H        LYS   6  -4.863  -9.209  -5.804
   36    HA   LYS   6           HA       LYS   6  -5.950  -9.023  -8.568
   37   1HB   LYS   6          2HB       LYS   6  -6.676 -11.049  -7.833
   38   2HB   LYS   6          1HB       LYS   6  -6.261 -10.715  -6.172
   39   1HG   LYS   6          2HG       LYS   6  -8.354  -9.314  -6.056
   40   2HG   LYS   6          1HG       LYS   6  -8.758  -9.900  -7.652
   41   1HD   LYS   6          2HD       LYS   6  -9.913 -11.309  -5.873
   42   2HD   LYS   6          1HD       LYS   6  -8.774 -12.274  -6.778
   43   1HE   LYS   6          2HE       LYS   6  -8.680 -12.618  -4.262
   44   2HE   LYS   6          1HE       LYS   6  -7.133 -12.195  -4.971
   45   1HZ   LYS   6          2HZ       LYS   6  -8.573  -9.795  -4.359
   46   2HZ   LYS   6          1HZ       LYS   6  -8.510 -10.799  -2.992
   47   3HZ   LYS   6          3HZ       LYS   6  -7.107 -10.331  -3.709
   48    H    LEU   7           H        LEU   7  -5.286  -6.745  -6.538
   49    HA   LEU   7           HA       LEU   7  -7.896  -5.493  -6.545
   50   1HB   LEU   7          2HB       LEU   7  -5.408  -4.810  -4.953
   51   2HB   LEU   7          1HB       LEU   7  -6.957  -4.051  -4.687
   52    HG   LEU   7           HG       LEU   7  -6.246  -6.974  -4.275
   53   1HD1  LEU   7          3HD1      LEU   7  -5.477  -5.324  -2.491
   54   2HD1  LEU   7          2HD1      LEU   7  -7.120  -4.752  -2.334
   55   3HD1  LEU   7          1HD1      LEU   7  -6.709  -6.389  -1.863
   56   1HD2  LEU   7          2HD2      LEU   7  -8.899  -5.514  -3.791
   57   2HD2  LEU   7          1HD2      LEU   7  -8.637  -6.736  -5.021
   58   3HD2  LEU   7          3HD2      LEU   7  -8.568  -7.167  -3.321
   59    HA   PRO   8           HA       PRO   8  -6.193  -2.051  -8.937
   60   1HB   PRO   8          2HB       PRO   8  -8.363  -0.553  -9.094
   61   2HB   PRO   8          1HB       PRO   8  -8.510  -2.274  -9.498
   62   1HG   PRO   8          2HG       PRO   8  -9.199  -0.890  -6.846
   63   2HG   PRO   8          1HG       PRO   8 -10.175  -2.054  -7.742
   64   1HD   PRO   8          2HD       PRO   8  -8.308  -2.662  -5.631
   65   2HD   PRO   8          1HD       PRO   8  -9.090  -3.847  -6.709
   66    H    LYS   9           H        LYS   9  -6.574   0.351  -8.844
   67    HA   LYS   9           HA       LYS   9  -4.616   1.535  -7.125
   68   1HB   LYS   9          2HB       LYS   9  -7.019   2.851  -8.506
   69   2HB   LYS   9          1HB       LYS   9  -5.731   3.748  -7.780
   70   1HG   LYS   9          2HG       LYS   9  -5.305   3.798 -10.107
   71   2HG   LYS   9          1HG       LYS   9  -4.103   2.767  -9.403
   72   1HD   LYS   9          2HD       LYS   9  -6.531   1.273 -10.491
   73   2HD   LYS   9          1HD       LYS   9  -5.649   2.174 -11.698
   74   1HE   LYS   9          2HE       LYS   9  -3.578   1.218 -10.699
   75   2HE   LYS   9          1HE       LYS   9  -4.529  -0.020  -9.907
   76   1HZ   LYS   9          3HZ       LYS   9  -5.155   0.148 -12.770
   77   2HZ   LYS   9          2HZ       LYS   9  -3.524  -0.076 -12.480
   78   3HZ   LYS   9          1HZ       LYS   9  -4.549  -1.179 -11.917
   79    H    ASP  10           H        ASP  10  -4.843   2.820  -5.097
   80    HA   ASP  10           HA       ASP  10  -7.472   2.374  -3.737
   81   1HB   ASP  10          2HB       ASP  10  -5.530   0.984  -2.754
   82   2HB   ASP  10          1HB       ASP  10  -4.733   2.495  -2.388
   83    H    GLU  11           H        GLU  11  -8.107   3.881  -2.179
   84    HA   GLU  11           HA       GLU  11  -6.843   6.296  -1.546
   85   1HB   GLU  11          2HB       GLU  11  -8.084   7.880  -3.157
   86   2HB   GLU  11          1HB       GLU  11  -7.565   6.542  -4.134
   87   1HG   GLU  11          2HG       GLU  11  -9.825   5.463  -4.020
   88   2HG   GLU  11          1HG       GLU  11 -10.443   6.862  -3.132
   89    H    GLY  12           H        GLY  12 -10.301   5.556  -2.068
   90   1HA   GLY  12          2HA       GLY  12 -11.758   4.972  -0.109
   91   2HA   GLY  12          1HA       GLY  12 -10.810   6.060   0.878
   92    H    THR  13           H        THR  13 -10.950   8.413   0.105
   93    HA   THR  13           HA       THR  13 -13.480   9.163  -1.274
   94    HB   THR  13           HB       THR  13 -13.164   9.982   1.692
   95    HG1  THR  13           HG1      THR  13 -14.364   7.893   0.279
   96   1HG2  THR  13          1HG2      THR  13 -15.512  10.104  -0.268
   97   2HG2  THR  13          3HG2      THR  13 -15.475  10.688   1.383
   98   3HG2  THR  13          2HG2      THR  13 -14.564  11.529   0.138
   99    H    CYS  14           H        CYS  14 -11.157  10.710   0.834
  100    HA   CYS  14           HA       CYS  14 -11.216  13.263  -0.574
  101   1HB   CYS  14          2HB       CYS  14  -9.402  12.498   1.722
  102   2HB   CYS  14          1HB       CYS  14 -10.302  13.970   1.482
  103    H    ARG  15           H        ARG  15  -8.579  14.204  -0.629
  104    HA   ARG  15           HA       ARG  15  -6.864  12.149  -1.684
  105   1HB   ARG  15          2HB       ARG  15  -8.406  12.185  -3.429
  106   2HB   ARG  15          1HB       ARG  15  -8.510  13.926  -3.434
  107   1HG   ARG  15          2HG       ARG  15  -6.608  14.114  -4.856
  108   2HG   ARG  15          1HG       ARG  15  -5.933  12.595  -4.328
  109   1HD   ARG  15          2HD       ARG  15  -8.537  12.721  -5.918
  110   2HD   ARG  15          1HD       ARG  15  -6.957  12.510  -6.692
  111    HE   ARG  15           HE       ARG  15  -6.696  10.441  -5.091
  112   1HH1  ARG  15          2HH1      ARG  15  -8.795  10.478  -3.410
  113   2HH1  ARG  15          1HH1      ARG  15  -9.918   9.410  -4.200
  114   1HH2  ARG  15          1HH2      ARG  15  -8.362   9.699  -7.169
  115   2HH2  ARG  15          2HH2      ARG  15  -9.633   8.908  -6.296
  116    H    ASP  16           H        ASP  16  -6.242  13.875   0.144
  117    HA   ASP  16           HA       ASP  16  -4.204  15.730  -0.950
  118   1HB   ASP  16          2HB       ASP  16  -5.467  15.595   1.838
  119   2HB   ASP  16          1HB       ASP  16  -4.731  16.982   1.074
  120    H    PHE  17           H        PHE  17  -3.022  13.490  -1.314
  121    HA   PHE  17           HA       PHE  17  -1.551  12.725   1.213
  122   1HB   PHE  17          2HB       PHE  17  -1.837  10.900  -1.178
  123   2HB   PHE  17          1HB       PHE  17  -1.261  10.546   0.553
  124    HD1  PHE  17           HD2      PHE  17  -3.941  12.214   1.601
  125    HD2  PHE  17           HD1      PHE  17  -2.736   8.711  -0.462
  126    HE1  PHE  17           HE2      PHE  17  -5.853  11.008   2.506
  127    HE2  PHE  17           HE1      PHE  17  -4.648   7.490   0.449
  128    HZ   PHE  17           HZ       PHE  17  -6.151   8.614   2.006
  129    H    ILE  18           H        ILE  18  -0.318  11.351  -1.618
  130    HA   ILE  18           HA       ILE  18   1.994  12.780  -2.122
  131    HB   ILE  18           HB       ILE  18   2.595  12.242   0.215
  132   1HG1  ILE  18          2HG1      ILE  18   4.384  11.633  -1.662
  133   2HG1  ILE  18          1HG1      ILE  18   4.662  11.396   0.037
  134   1HG2  ILE  18          3HG2      ILE  18   1.704   9.351  -0.354
  135   2HG2  ILE  18          2HG2      ILE  18   2.458   9.879   1.143
  136   3HG2  ILE  18          1HG2      ILE  18   0.906  10.501   0.687
  137   1HD1  ILE  18          2HD1      ILE  18   3.549   9.206  -1.725
  138   2HD1  ILE  18          1HD1      ILE  18   5.267   9.358  -1.351
  139   3HD1  ILE  18          3HD1      ILE  18   4.098   9.032  -0.072
  140    H    LEU  19           H        LEU  19   3.607  11.101  -3.292
  141    HA   LEU  19           HA       LEU  19   1.943   9.514  -5.146
  142   1HB   LEU  19          2HB       LEU  19   3.305  11.275  -6.059
  143   2HB   LEU  19          1HB       LEU  19   4.675  10.826  -5.093
  144    HG   LEU  19           HG       LEU  19   4.952   8.725  -6.302
  145   1HD1  LEU  19          1HD1      LEU  19   2.655   9.703  -8.100
  146   2HD1  LEU  19          3HD1      LEU  19   3.644   8.302  -8.451
  147   3HD1  LEU  19          2HD1      LEU  19   2.612   8.298  -7.057
  148   1HD2  LEU  19          3HD2      LEU  19   6.104  10.731  -7.243
  149   2HD2  LEU  19          2HD2      LEU  19   5.630   9.653  -8.544
  150   3HD2  LEU  19          1HD2      LEU  19   4.686  11.094  -8.215
  151    H    LYS  20           H        LYS  20   2.055   7.299  -5.226
  152    HA   LYS  20           HA       LYS  20   4.283   5.971  -3.745
  153   1HB   LYS  20          2HB       LYS  20   1.334   5.146  -3.501
  154   2HB   LYS  20          1HB       LYS  20   2.610   4.495  -2.515
  155   1HG   LYS  20          2HG       LYS  20   2.280   7.513  -2.286
  156   2HG   LYS  20          1HG       LYS  20   0.886   6.607  -1.880
  157   1HD   LYS  20          2HD       LYS  20   2.482   7.194   0.053
  158   2HD   LYS  20          1HD       LYS  20   1.802   5.594  -0.012
  159   1HE   LYS  20          2HE       LYS  20   4.278   5.832   0.586
  160   2HE   LYS  20          1HE       LYS  20   3.800   4.589  -0.552
  161   1HZ   LYS  20          1HZ       LYS  20   4.256   6.983  -2.030
  162   2HZ   LYS  20          3HZ       LYS  20   5.587   6.786  -1.045
  163   3HZ   LYS  20          2HZ       LYS  20   5.099   5.528  -2.080
  164    H    TRP  21           H        TRP  21   4.148   3.396  -4.017
  165    HA   TRP  21           HA       TRP  21   3.821   2.972  -6.957
  166   1HB   TRP  21          2HB       TRP  21   5.580   1.517  -4.912
  167   2HB   TRP  21          1HB       TRP  21   5.364   0.985  -6.567
  168    HD1  TRP  21           HD1      TRP  21   6.903   3.917  -4.544
  169    HE1  TRP  21           HE1      TRP  21   8.576   4.996  -6.139
  170    HE3  TRP  21           HE3      TRP  21   6.001   1.279  -8.746
  171    HZ2  TRP  21           HZ2      TRP  21   9.528   4.754  -8.787
  172    HZ3  TRP  21           HZ3      TRP  21   7.321   1.657 -10.798
  173    HH2  TRP  21           HH2      TRP  21   9.080   3.384 -10.843
  174    H    TYR  22           H        TYR  22   2.401   1.379  -7.544
  175    HA   TYR  22           HA       TYR  22   1.269  -0.382  -5.378
  176   1HB   TYR  22          2HB       TYR  22  -0.979   0.356  -5.856
  177   2HB   TYR  22          1HB       TYR  22  -0.115   1.811  -6.262
  178    HD1  TYR  22           HD1      TYR  22   0.271   2.461  -8.587
  179    HD2  TYR  22           HD2      TYR  22  -1.722  -1.181  -7.657
  180    HE1  TYR  22           HE1      TYR  22  -0.495   2.170 -10.956
  181    HE2  TYR  22           HE2      TYR  22  -2.452  -1.414  -9.969
  182    HH   TYR  22           HH       TYR  22  -1.351  -0.224 -12.403
  183    H    TYR  23           H        TYR  23   0.220  -2.199  -6.216
  184    HA   TYR  23           HA       TYR  23   1.668  -3.413  -8.487
  185   1HB   TYR  23          2HB       TYR  23   1.516  -4.426  -6.235
  186   2HB   TYR  23          1HB       TYR  23  -0.229  -4.508  -6.407
  187    HD1  TYR  23           HD1      TYR  23   2.931  -5.895  -7.724
  188    HD2  TYR  23           HD2      TYR  23  -1.311  -6.071  -7.820
  189    HE1  TYR  23           HE1      TYR  23   3.023  -8.055  -8.953
  190    HE2  TYR  23           HE2      TYR  23  -1.188  -8.219  -9.054
  191    HH   TYR  23           HH       TYR  23   0.999 -10.090  -9.006
  192    H    ASP  24           H        ASP  24   0.726  -3.628 -10.485
  193    HA   ASP  24           HA       ASP  24  -2.228  -3.202 -10.611
  194   1HB   ASP  24          2HB       ASP  24  -0.598  -1.692 -11.853
  195   2HB   ASP  24          1HB       ASP  24  -0.532  -2.959 -13.044
  196    HA   PRO  25           HA       PRO  25  -2.160  -7.840 -11.706
  197   1HB   PRO  25          2HB       PRO  25  -4.933  -7.431 -12.454
  198   2HB   PRO  25          1HB       PRO  25  -4.313  -8.171 -10.978
  199   1HG   PRO  25          2HG       PRO  25  -4.997  -5.212 -11.426
  200   2HG   PRO  25          1HG       PRO  25  -5.364  -6.219 -10.022
  201   1HD   PRO  25          2HD       PRO  25  -3.340  -4.582  -9.802
  202   2HD   PRO  25          1HD       PRO  25  -3.031  -6.270  -9.349
  203    H    ASN  26           H        ASN  26  -2.913  -5.043 -13.531
  204    HA   ASN  26           HA       ASN  26  -3.287  -6.034 -16.174
  205   1HB   ASN  26          2HB       ASN  26  -3.704  -3.636 -15.442
  206   2HB   ASN  26          1HB       ASN  26  -1.996  -3.422 -15.164
  207   1HD2  ASN  26          2HD2      ASN  26  -3.220  -2.643 -18.742
  208   2HD2  ASN  26          1HD2      ASN  26  -4.259  -2.639 -17.385
  209    H    THR  27           H        THR  27  -0.501  -5.022 -14.463
  210    HA   THR  27           HA       THR  27   1.373  -6.107 -16.568
  211    HB   THR  27           HB       THR  27   3.202  -4.891 -15.475
  212    HG1  THR  27           HG1      THR  27   3.111  -4.694 -13.398
  213   1HG2  THR  27          1HG2      THR  27   1.395  -3.260 -16.386
  214   2HG2  THR  27          3HG2      THR  27   0.713  -3.264 -14.772
  215   3HG2  THR  27          2HG2      THR  27   2.328  -2.648 -15.025
  216    H    LYS  28           H        LYS  28   0.888  -6.296 -13.170
  217    HA   LYS  28           HA       LYS  28   0.821  -7.958 -11.683
  218   1HB   LYS  28          2HB       LYS  28   2.229  -9.692 -13.887
  219   2HB   LYS  28          1HB       LYS  28   1.909 -10.268 -12.284
  220   1HG   LYS  28          2HG       LYS  28  -0.323 -10.372 -12.447
  221   2HG   LYS  28          1HG       LYS  28  -0.474  -8.989 -13.468
  222   1HD   LYS  28          2HD       LYS  28   0.451 -11.814 -14.412
  223   2HD   LYS  28          1HD       LYS  28  -1.159 -11.208 -14.680
  224   1HE   LYS  28          2HE       LYS  28   1.425 -10.150 -15.876
  225   2HE   LYS  28          1HE       LYS  28   0.124 -10.973 -16.713
  226   1HZ   LYS  28          3HZ       LYS  28  -1.025  -8.778 -15.310
  227   2HZ   LYS  28          2HZ       LYS  28   0.325  -8.215 -16.100
  228   3HZ   LYS  28          1HZ       LYS  28  -0.906  -8.889 -16.972
  229    H    SER  29           H        SER  29   2.573  -5.965 -12.131
  230    HA   SER  29           HA       SER  29   4.693  -6.572 -10.260
  231   1HB   SER  29          2HB       SER  29   6.391  -5.376 -11.758
  232   2HB   SER  29          1HB       SER  29   5.605  -6.630 -12.713
  233    HG   SER  29           HG       SER  29   5.369  -3.891 -12.878
  234    H    CYS  30           H        CYS  30   5.524  -3.688 -10.374
  235    HA   CYS  30           HA       CYS  30   2.941  -2.287  -9.818
  236   1HB   CYS  30          2HB       CYS  30   5.564  -2.176  -8.310
  237   2HB   CYS  30          1HB       CYS  30   4.157  -1.241  -7.906
  238    H    ALA  31           H        ALA  31   2.930  -0.083  -9.753
  239    HA   ALA  31           HA       ALA  31   4.852   1.438 -11.418
  240   1HB   ALA  31          3HB       ALA  31   1.824   1.243 -11.933
  241   2HB   ALA  31          2HB       ALA  31   2.919   2.295 -12.825
  242   3HB   ALA  31          1HB       ALA  31   3.087   0.556 -12.941
  243    H    ARG  32           H        ARG  32   3.956   3.789 -11.413
  244    HA   ARG  32           HA       ARG  32   3.724   4.642  -8.631
  245   1HB   ARG  32          2HB       ARG  32   4.445   5.999 -11.159
  246   2HB   ARG  32          1HB       ARG  32   4.562   6.794  -9.565
  247   1HG   ARG  32          2HG       ARG  32   6.268   5.169  -8.879
  248   2HG   ARG  32          1HG       ARG  32   6.039   4.233 -10.330
  249   1HD   ARG  32          2HD       ARG  32   8.032   5.547 -10.694
  250   2HD   ARG  32          1HD       ARG  32   6.776   6.225 -11.708
  251    HE   ARG  32           HE       ARG  32   7.405   7.349  -8.957
  252   1HH1  ARG  32          1HH2      ARG  32   5.203   8.105 -10.696
  253   2HH1  ARG  32          2HH2      ARG  32   5.687   9.648 -11.324
  254   1HH2  ARG  32          2HH1      ARG  32   8.920   8.871 -10.300
  255   2HH2  ARG  32          1HH1      ARG  32   7.990  10.117 -11.062
  256    H    PHE  33           H        PHE  33   1.997   5.731  -7.711
  257    HA   PHE  33           HA       PHE  33   0.214   7.316  -9.484
  258   1HB   PHE  33          2HB       PHE  33  -1.731   6.028  -9.212
  259   2HB   PHE  33          1HB       PHE  33  -0.519   4.780  -9.245
  260    HD1  PHE  33           HD1      PHE  33   0.512   4.308  -6.698
  261    HD2  PHE  33           HD2      PHE  33  -3.374   5.769  -7.634
  262    HE1  PHE  33           HE1      PHE  33  -0.348   3.464  -4.539
  263    HE2  PHE  33           HE2      PHE  33  -4.220   4.940  -5.497
  264    HZ   PHE  33           HZ       PHE  33  -2.709   3.776  -3.949
  265    H    TRP  34           H        TRP  34  -1.323   8.651  -8.431
  266    HA   TRP  34           HA       TRP  34  -0.273   9.818  -5.918
  267   1HB   TRP  34          2HB       TRP  34  -2.289  10.698  -8.081
  268   2HB   TRP  34          1HB       TRP  34  -2.368  11.432  -6.543
  269    HD1  TRP  34           HD1      TRP  34  -0.902  11.676  -9.534
  270    HE1  TRP  34           HE1      TRP  34   1.087  13.377  -9.444
  271    HE3  TRP  34           HE3      TRP  34  -0.213  12.074  -4.490
  272    HZ2  TRP  34           HZ2      TRP  34   2.645  14.689  -7.617
  273    HZ3  TRP  34           HZ3      TRP  34   1.492  13.633  -3.666
  274    HH2  TRP  34           HH2      TRP  34   2.930  14.908  -5.167
  275    H    TYR  35           H        TYR  35  -0.839   7.890  -4.753
  276    HA   TYR  35           HA       TYR  35  -3.120   6.663  -4.058
  277   1HB   TYR  35          2HB       TYR  35  -1.005   6.371  -2.815
  278   2HB   TYR  35          1HB       TYR  35  -1.180   7.939  -2.027
  279    HD1  TYR  35           HD1      TYR  35  -4.059   5.709  -2.600
  280    HD2  TYR  35           HD2      TYR  35  -1.199   6.928   0.298
  281    HE1  TYR  35           HE1      TYR  35  -5.323   4.610  -0.908
  282    HE2  TYR  35           HE2      TYR  35  -2.518   5.775   2.036
  283    HH   TYR  35           HH       TYR  35  -5.236   3.759   1.053
  284    H    GLY  36           H        GLY  36  -2.602   9.925  -3.242
  285   1HA   GLY  36          2HA       GLY  36  -4.168  11.250  -1.658
  286   2HA   GLY  36          1HA       GLY  36  -4.585  11.505  -3.333
  287    H    GLY  37           H        GLY  37  -5.356   9.830  -0.510
  288   1HA   GLY  37          2HA       GLY  37  -8.179   9.317  -1.408
  289   2HA   GLY  37          1HA       GLY  37  -7.222   8.152  -0.520
  290    H    CYS  38           H        CYS  38  -8.364   7.976   1.128
  291    HA   CYS  38           HA       CYS  38  -8.334   9.972   3.320
  292   1HB   CYS  38          2HB       CYS  38 -10.728   9.443   1.834
  293   2HB   CYS  38          1HB       CYS  38 -10.909   8.594   3.342
  294    H    GLY  39           H        GLY  39  -8.343   6.763   2.138
  295   1HA   GLY  39          2HA       GLY  39  -6.903   5.193   3.631
  296   2HA   GLY  39          1HA       GLY  39  -8.146   5.491   4.842
  297    H    GLY  40           H        GLY  40  -7.315   3.618   2.109
  298   1HA   GLY  40          2HA       GLY  40 -10.053   2.320   2.189
  299   2HA   GLY  40          1HA       GLY  40  -9.175   2.489   0.701
  300    H    ASN  41           H        ASN  41  -7.228   1.160   0.536
  301    HA   ASN  41           HA       ASN  41  -7.538  -1.464   1.990
  302   1HB   ASN  41          2HB       ASN  41  -7.288  -2.652  -0.151
  303   2HB   ASN  41          1HB       ASN  41  -8.445  -1.362  -0.376
  304   1HD2  ASN  41          2HD2      ASN  41  -6.682  -0.316  -3.156
  305   2HD2  ASN  41          1HD2      ASN  41  -8.177  -0.632  -2.438
  306    H    GLU  42           H        GLU  42  -5.504  -2.818   0.610
  307    HA   GLU  42           HA       GLU  42  -3.191  -2.250   2.294
  308   1HB   GLU  42          2HB       GLU  42  -3.384  -4.362   0.091
  309   2HB   GLU  42          1HB       GLU  42  -2.461  -4.414   1.567
  310   1HG   GLU  42          2HG       GLU  42  -4.472  -4.727   2.930
  311   2HG   GLU  42          1HG       GLU  42  -5.548  -4.443   1.587
  312    H    ASN  43           H        ASN  43  -3.515  -2.572  -1.102
  313    HA   ASN  43           HA       ASN  43  -1.052  -2.057  -2.178
  314   1HB   ASN  43          2HB       ASN  43  -2.797  -2.972  -3.313
  315   2HB   ASN  43          1HB       ASN  43  -3.853  -1.565  -3.222
  316   1HD2  ASN  43          2HD2      ASN  43  -2.689  -0.663  -6.337
  317   2HD2  ASN  43          1HD2      ASN  43  -4.016  -0.754  -5.291
  318    H    LYS  44           H        LYS  44   0.148  -0.432  -1.230
  319    HA   LYS  44           HA       LYS  44   0.753   1.810  -2.930
  320   1HB   LYS  44          2HB       LYS  44   0.158   3.796  -1.627
  321   2HB   LYS  44          1HB       LYS  44  -1.273   2.926  -2.007
  322   1HG   LYS  44          2HG       LYS  44   0.133   2.915   0.744
  323   2HG   LYS  44          1HG       LYS  44  -1.226   3.915   0.327
  324   1HD   LYS  44          2HD       LYS  44  -1.171   0.922   0.256
  325   2HD   LYS  44          1HD       LYS  44  -1.863   1.843   1.564
  326   1HE   LYS  44          2HE       LYS  44  -3.458   2.879   0.016
  327   2HE   LYS  44          1HE       LYS  44  -2.876   1.936  -1.325
  328   1HZ   LYS  44          2HZ       LYS  44  -3.360   0.257   0.931
  329   2HZ   LYS  44          1HZ       LYS  44  -4.690   1.209   0.626
  330   3HZ   LYS  44          3HZ       LYS  44  -4.164   0.222  -0.594
  331    H    PHE  45           H        PHE  45   2.772   1.228  -2.776
  332    HA   PHE  45           HA       PHE  45   4.341   1.261  -0.261
  333   1HB   PHE  45          2HB       PHE  45   4.999   0.179  -3.022
  334   2HB   PHE  45          1HB       PHE  45   5.879  -0.214  -1.565
  335    HD1  PHE  45           HD2      PHE  45   4.675  -1.446   0.288
  336    HD2  PHE  45           HD1      PHE  45   2.949  -0.956  -3.570
  337    HE1  PHE  45           HE2      PHE  45   3.104  -3.285   0.743
  338    HE2  PHE  45           HE1      PHE  45   1.410  -2.792  -3.123
  339    HZ   PHE  45           HZ       PHE  45   1.465  -3.934  -0.954
  340    H    GLY  46           H        GLY  46   6.625   1.742  -0.484
  341   1HA   GLY  46          2HA       GLY  46   7.074   4.596  -1.149
  342   2HA   GLY  46          1HA       GLY  46   8.233   3.532  -0.373
  343    H    SER  47           H        SER  47   8.209   1.553  -2.372
  344    HA   SER  47           HA       SER  47   9.294   2.863  -4.827
  345   1HB   SER  47          2HB       SER  47  10.885   1.011  -3.075
  346   2HB   SER  47          1HB       SER  47  11.366   1.531  -4.708
  347    HG   SER  47           HG       SER  47  10.512   3.703  -3.291
  348    H    GLN  48           H        GLN  48   9.355   1.478  -6.732
  349    HA   GLN  48           HA       GLN  48   7.286  -0.362  -7.011
  350   1HB   GLN  48          2HB       GLN  48   8.892   0.591  -8.892
  351   2HB   GLN  48          1HB       GLN  48   9.980  -0.701  -8.482
  352   1HG   GLN  48          2HG       GLN  48   8.055  -2.387  -8.895
  353   2HG   GLN  48          1HG       GLN  48   7.107  -1.049  -9.503
  354   1HE2  GLN  48          2HE2      GLN  48   9.316  -2.839 -12.072
  355   2HE2  GLN  48          1HE2      GLN  48   8.675  -3.560 -10.671
  356    H    LYS  49           H        LYS  49  10.577  -1.201  -6.634
  357    HA   LYS  49           HA       LYS  49  10.275  -3.948  -6.249
  358   1HB   LYS  49          2HB       LYS  49  12.583  -3.113  -6.363
  359   2HB   LYS  49          1HB       LYS  49  12.308  -1.867  -5.168
  360   1HG   LYS  49          2HG       LYS  49  12.228  -4.805  -4.347
  361   2HG   LYS  49          1HG       LYS  49  13.771  -4.008  -4.548
  362   1HD   LYS  49          2HD       LYS  49  13.355  -2.410  -2.782
  363   2HD   LYS  49          1HD       LYS  49  11.639  -2.678  -2.746
  364   1HE   LYS  49          2HE       LYS  49  12.040  -4.984  -1.874
  365   2HE   LYS  49          1HE       LYS  49  13.768  -4.630  -1.814
  366   1HZ   LYS  49          2HZ       LYS  49  12.276  -2.481  -0.576
  367   2HZ   LYS  49          1HZ       LYS  49  11.738  -3.823   0.069
  368   3HZ   LYS  49          3HZ       LYS  49  13.373  -3.480   0.192
  369    H    GLU  50           H        GLU  50   9.566  -1.594  -3.762
  370    HA   GLU  50           HA       GLU  50   9.450  -3.540  -1.751
  371   1HB   GLU  50          2HB       GLU  50   9.591  -1.050  -1.567
  372   2HB   GLU  50          1HB       GLU  50   7.822  -1.070  -1.757
  373   1HG   GLU  50          2HG       GLU  50   8.487  -1.227   0.737
  374   2HG   GLU  50          1HG       GLU  50   7.762  -2.749   0.246
  375    H    CYS  51           H        CYS  51   7.149  -2.068  -3.746
  376    HA   CYS  51           HA       CYS  51   4.706  -3.393  -3.009
  377   1HB   CYS  51          2HB       CYS  51   4.935  -1.273  -4.393
  378   2HB   CYS  51          1HB       CYS  51   5.629  -2.222  -5.658
  379    H    GLU  52           H        GLU  52   6.992  -4.029  -5.626
  380    HA   GLU  52           HA       GLU  52   5.783  -6.417  -6.643
  381   1HB   GLU  52          2HB       GLU  52   8.065  -4.787  -7.137
  382   2HB   GLU  52          1HB       GLU  52   8.795  -6.291  -6.622
  383   1HG   GLU  52          2HG       GLU  52   8.275  -7.291  -8.664
  384   2HG   GLU  52          1HG       GLU  52   6.610  -6.756  -8.607
  385    H    LYS  53           H        LYS  53   8.298  -5.959  -4.195
  386    HA   LYS  53           HA       LYS  53   8.376  -8.682  -3.335
  387   1HB   LYS  53          2HB       LYS  53  10.069  -6.874  -3.078
  388   2HB   LYS  53          1HB       LYS  53   9.140  -6.031  -1.902
  389   1HG   LYS  53          2HG       LYS  53  10.330  -8.860  -1.621
  390   2HG   LYS  53          1HG       LYS  53  11.179  -7.449  -1.087
  391   1HD   LYS  53          2HD       LYS  53   8.785  -8.825   0.253
  392   2HD   LYS  53          1HD       LYS  53  10.352  -8.519   0.844
  393   1HE   LYS  53          2HE       LYS  53   8.749  -7.073   1.981
  394   2HE   LYS  53          1HE       LYS  53  10.017  -6.181   1.171
  395   1HZ   LYS  53          2HZ       LYS  53   7.902  -6.616  -0.648
  396   2HZ   LYS  53          1HZ       LYS  53   7.212  -5.971   0.724
  397   3HZ   LYS  53          3HZ       LYS  53   8.445  -5.127  -0.045
  398    H    VAL  54           H        VAL  54   5.507  -7.136  -3.173
  399    HA   VAL  54           HA       VAL  54   4.781  -8.310  -0.518
  400    HB   VAL  54           HB       VAL  54   3.843  -5.901  -2.138
  401   1HG1  VAL  54          1HG1      VAL  54   2.578  -7.219   0.378
  402   2HG1  VAL  54          3HG1      VAL  54   2.015  -5.724  -0.325
  403   3HG1  VAL  54          2HG1      VAL  54   1.828  -7.227  -1.203
  404   1HG2  VAL  54          1HG2      VAL  54   4.762  -6.318   0.756
  405   2HG2  VAL  54          3HG2      VAL  54   5.722  -5.647  -0.563
  406   3HG2  VAL  54          2HG2      VAL  54   4.345  -4.774   0.037
  407    H    CYS  55           H        CYS  55   4.007  -7.888  -3.862
  408    HA   CYS  55           HA       CYS  55   2.122 -10.247  -3.767
  409   1HB   CYS  55          2HB       CYS  55   0.971  -8.303  -4.647
  410   2HB   CYS  55          1HB       CYS  55   2.285  -7.926  -5.737
  411    H    ALA  56           H        ALA  56   4.752  -8.904  -5.742
  412    HA   ALA  56           HA       ALA  56   4.921 -11.215  -7.487
  413   1HB   ALA  56          2HB       ALA  56   5.628  -8.923  -8.174
  414   2HB   ALA  56          1HB       ALA  56   6.887  -8.949  -6.949
  415   3HB   ALA  56          3HB       ALA  56   6.984 -10.036  -8.307
  416    HA   PRO  57           HA       PRO  57   6.876 -13.261  -4.006
  417   1HB   PRO  57          2HB       PRO  57   6.033 -15.752  -4.386
  418   2HB   PRO  57          1HB       PRO  57   4.830 -14.449  -4.246
  419   1HG   PRO  57          2HG       PRO  57   6.045 -15.587  -6.840
  420   2HG   PRO  57          1HG       PRO  57   4.327 -15.520  -6.426
  421   1HD   PRO  57          2HD       PRO  57   5.548 -13.505  -7.886
  422   2HD   PRO  57          1HD       PRO  57   4.215 -13.169  -6.762
  423    H    VAL  58           HN       VAL  58   8.979 -12.607  -4.877
  424    HA   VAL  58           HA       VAL  58  10.662 -14.955  -5.560
  425    HB   VAL  58           HB       VAL  58  12.117 -13.237  -6.918
  426   1HG1  VAL  58          3HG1      VAL  58  10.418 -14.729  -8.065
  427   2HG1  VAL  58          2HG1      VAL  58   9.189 -13.506  -7.800
  428   3HG1  VAL  58          1HG1      VAL  58  10.541 -13.171  -8.881
  429   1HG2  VAL  58          1HG2      VAL  58  11.238 -11.244  -5.781
  430   2HG2  VAL  58          3HG2      VAL  58  11.044 -11.085  -7.526
  431   3HG2  VAL  58          2HG2      VAL  58   9.663 -11.476  -6.507
   
  No H/Q in entry =         431
  Start of MODEL   20
    1   1H    GLU   1          2H        GLU   1  -4.000 -16.365   2.923
    2   2H    GLU   1          1H        GLU   1  -3.590 -16.732   4.479
    3   3H    GLU   1          3H        GLU   1  -5.204 -16.743   4.102
    4    HA   GLU   1           HA       GLU   1  -5.199 -14.582   4.866
    5   1HB   GLU   1          2HB       GLU   1  -2.935 -13.469   5.387
    6   2HB   GLU   1          1HB       GLU   1  -3.038 -15.070   6.096
    7   1HG   GLU   1          2HG       GLU   1  -1.462 -14.296   3.526
    8   2HG   GLU   1          1HG       GLU   1  -0.807 -14.939   5.006
    9    H    THR   2           H        THR   2  -6.091 -14.650   2.557
   10    HA   THR   2           HA       THR   2  -6.540 -13.589   0.506
   11    HB   THR   2           HB       THR   2  -6.510 -11.110   0.511
   12    HG1  THR   2           HG1      THR   2  -4.302 -11.567   2.038
   13   1HG2  THR   2          2HG2      THR   2  -8.073 -12.120   2.300
   14   2HG2  THR   2          1HG2      THR   2  -6.723 -11.959   3.429
   15   3HG2  THR   2          3HG2      THR   2  -7.400 -10.542   2.670
   16    H    ASP   3           H        ASP   3  -5.961 -12.402  -1.354
   17    HA   ASP   3           HA       ASP   3  -3.059 -12.521  -1.983
   18   1HB   ASP   3          2HB       ASP   3  -3.943 -13.253  -4.248
   19   2HB   ASP   3          1HB       ASP   3  -4.333 -14.344  -2.934
   20    H    ILE   4           H        ILE   4  -3.132 -10.341  -1.171
   21    HA   ILE   4           HA       ILE   4  -4.289  -7.998  -1.962
   22    HB   ILE   4           HB       ILE   4  -2.188  -6.884  -1.560
   23   1HG1  ILE   4          2HG1      ILE   4  -0.280  -8.603  -0.656
   24   2HG1  ILE   4          1HG1      ILE   4  -0.985  -9.652  -1.857
   25   1HG2  ILE   4          1HG2      ILE   4  -3.534  -7.582   0.364
   26   2HG2  ILE   4          3HG2      ILE   4  -2.761  -9.152   0.400
   27   3HG2  ILE   4          2HG2      ILE   4  -1.844  -7.711   0.776
   28   1HD1  ILE   4          2HD1      ILE   4   0.121  -6.850  -2.394
   29   2HD1  ILE   4          1HD1      ILE   4   0.893  -8.372  -2.792
   30   3HD1  ILE   4          3HD1      ILE   4  -0.573  -7.897  -3.621
   31    H    CYS   5           H        CYS   5  -2.322  -9.886  -3.866
   32    HA   CYS   5           HA       CYS   5  -1.450  -8.292  -6.018
   33   1HB   CYS   5          2HB       CYS   5  -2.268 -11.187  -5.841
   34   2HB   CYS   5          1HB       CYS   5  -1.653 -10.500  -7.320
   35    H    LYS   6           H        LYS   6  -4.606  -9.334  -5.360
   36    HA   LYS   6           HA       LYS   6  -5.591  -8.417  -8.072
   37   1HB   LYS   6          2HB       LYS   6  -7.147  -9.913  -5.941
   38   2HB   LYS   6          1HB       LYS   6  -7.697  -9.550  -7.566
   39   1HG   LYS   6          2HG       LYS   6  -5.652 -10.959  -8.362
   40   2HG   LYS   6          1HG       LYS   6  -5.557 -11.546  -6.719
   41   1HD   LYS   6          2HD       LYS   6  -7.849 -11.882  -8.745
   42   2HD   LYS   6          1HD       LYS   6  -7.005 -13.141  -7.878
   43   1HE   LYS   6          2HE       LYS   6  -9.044 -11.225  -6.661
   44   2HE   LYS   6          1HE       LYS   6  -9.248 -12.951  -6.964
   45   1HZ   LYS   6          1HZ       LYS   6  -6.819 -12.605  -5.600
   46   2HZ   LYS   6          3HZ       LYS   6  -7.879 -11.799  -4.680
   47   3HZ   LYS   6          2HZ       LYS   6  -8.046 -13.410  -5.017
   48    H    LEU   7           H        LEU   7  -4.990  -6.766  -5.468
   49    HA   LEU   7           HA       LEU   7  -7.557  -5.437  -5.342
   50   1HB   LEU   7          2HB       LEU   7  -5.117  -5.118  -3.540
   51   2HB   LEU   7          1HB       LEU   7  -6.686  -4.432  -3.207
   52    HG   LEU   7           HG       LEU   7  -6.019  -7.397  -3.337
   53   1HD1  LEU   7          2HD1      LEU   7  -5.216  -6.140  -1.288
   54   2HD1  LEU   7          1HD1      LEU   7  -6.834  -5.538  -1.034
   55   3HD1  LEU   7          3HD1      LEU   7  -6.507  -7.251  -0.865
   56   1HD2  LEU   7          2HD2      LEU   7  -8.637  -5.980  -2.610
   57   2HD2  LEU   7          1HD2      LEU   7  -8.374  -6.930  -4.063
   58   3HD2  LEU   7          3HD2      LEU   7  -8.351  -7.706  -2.497
   59    HA   PRO   8           HA       PRO   8  -5.634  -2.021  -7.459
   60   1HB   PRO   8          2HB       PRO   8  -7.825  -0.583  -7.844
   61   2HB   PRO   8          1HB       PRO   8  -7.900  -2.316  -8.207
   62   1HG   PRO   8          2HG       PRO   8  -8.858  -0.873  -5.667
   63   2HG   PRO   8          1HG       PRO   8  -9.710  -2.104  -6.596
   64   1HD   PRO   8          2HD       PRO   8  -7.982  -2.571  -4.313
   65   2HD   PRO   8          1HD       PRO   8  -8.669  -3.806  -5.397
   66    H    LYS   9           H        LYS   9  -6.070   0.356  -7.448
   67    HA   LYS   9           HA       LYS   9  -4.745   1.545  -5.034
   68   1HB   LYS   9          2HB       LYS   9  -3.496   1.941  -6.983
   69   2HB   LYS   9          1HB       LYS   9  -4.869   2.049  -8.041
   70   1HG   LYS   9          2HG       LYS   9  -4.130   4.137  -5.993
   71   2HG   LYS   9          1HG       LYS   9  -3.451   4.165  -7.599
   72   1HD   LYS   9          2HD       LYS   9  -6.382   4.459  -6.802
   73   2HD   LYS   9          1HD       LYS   9  -5.401   5.715  -7.460
   74   1HE   LYS   9          2HE       LYS   9  -6.340   5.198  -9.443
   75   2HE   LYS   9          1HE       LYS   9  -5.332   3.760  -9.469
   76   1HZ   LYS   9          3HZ       LYS   9  -7.623   3.409  -7.737
   77   2HZ   LYS   9          2HZ       LYS   9  -8.135   3.971  -9.134
   78   3HZ   LYS   9          1HZ       LYS   9  -7.306   2.496  -9.145
   79    H    ASP  10           H        ASP  10  -5.872   3.258  -3.827
   80    HA   ASP  10           HA       ASP  10  -8.719   3.643  -4.625
   81   1HB   ASP  10          2HB       ASP  10  -7.853   4.249  -1.783
   82   2HB   ASP  10          1HB       ASP  10  -9.223   3.317  -2.313
   83    H    GLU  11           H        GLU  11  -7.207   5.476  -5.834
   84    HA   GLU  11           HA       GLU  11  -6.431   7.987  -5.038
   85   1HB   GLU  11          2HB       GLU  11  -7.670   8.951  -7.249
   86   2HB   GLU  11          1HB       GLU  11  -6.813   7.492  -7.614
   87   1HG   GLU  11          2HG       GLU  11  -9.728   7.221  -6.813
   88   2HG   GLU  11          1HG       GLU  11  -9.338   7.838  -8.395
   89    H    GLY  12           H        GLY  12  -9.802   7.262  -4.847
   90   1HA   GLY  12          2HA       GLY  12 -10.349  10.046  -3.878
   91   2HA   GLY  12          1HA       GLY  12 -11.585   8.797  -4.077
   92    H    THR  13           H        THR  13 -12.372   9.313  -1.973
   93    HA   THR  13           HA       THR  13 -12.539   8.880   0.381
   94    HB   THR  13           HB       THR  13 -10.126   7.007   0.197
   95    HG1  THR  13           HG1      THR  13 -11.207   6.192  -1.389
   96   1HG2  THR  13          3HG2      THR  13 -11.604   7.235   2.322
   97   2HG2  THR  13          2HG2      THR  13 -12.957   6.727   1.315
   98   3HG2  THR  13          1HG2      THR  13 -11.621   5.632   1.591
   99    H    CYS  14           H        CYS  14 -11.747  11.035   0.417
  100    HA   CYS  14           HA       CYS  14 -10.847  12.552   2.086
  101   1HB   CYS  14          2HB       CYS  14  -8.400  10.680   2.005
  102   2HB   CYS  14          1HB       CYS  14  -8.346  12.246   2.718
  103    H    ARG  15           H        ARG  15  -8.783  14.150   1.832
  104    HA   ARG  15           HA       ARG  15  -8.324  14.593  -1.123
  105   1HB   ARG  15          2HB       ARG  15 -10.123  15.976  -0.654
  106   2HB   ARG  15          1HB       ARG  15  -9.683  16.253   1.000
  107   1HG   ARG  15          2HG       ARG  15  -7.863  17.548  -1.057
  108   2HG   ARG  15          1HG       ARG  15  -9.498  18.123  -1.020
  109   1HD   ARG  15          2HD       ARG  15  -7.859  19.341   0.568
  110   2HD   ARG  15          1HD       ARG  15  -9.387  18.822   1.284
  111    HE   ARG  15           HE       ARG  15  -7.975  16.666   2.030
  112   1HH1  ARG  15          2HH1      ARG  15  -5.621  17.620   0.831
  113   2HH1  ARG  15          1HH1      ARG  15  -4.727  17.941   2.300
  114   1HH2  ARG  15          1HH2      ARG  15  -7.637  18.196   4.028
  115   2HH2  ARG  15          2HH2      ARG  15  -5.901  18.202   4.136
  116    H    ASP  16           H        ASP  16  -6.502  13.585   0.994
  117    HA   ASP  16           HA       ASP  16  -4.275  15.548   0.771
  118   1HB   ASP  16          2HB       ASP  16  -4.940  13.392   2.856
  119   2HB   ASP  16          1HB       ASP  16  -3.593  14.498   2.970
  120    H    PHE  17           H        PHE  17  -3.555  14.854  -1.270
  121    HA   PHE  17           HA       PHE  17  -2.781  11.991  -1.576
  122   1HB   PHE  17          2HB       PHE  17  -2.568  14.129  -3.743
  123   2HB   PHE  17          1HB       PHE  17  -2.567  12.415  -3.936
  124    HD1  PHE  17           HD2      PHE  17  -5.071  12.418  -1.625
  125    HD2  PHE  17           HD1      PHE  17  -4.320  13.876  -5.549
  126    HE1  PHE  17           HE2      PHE  17  -7.460  12.362  -2.095
  127    HE2  PHE  17           HE1      PHE  17  -6.734  13.824  -6.012
  128    HZ   PHE  17           HZ       PHE  17  -8.300  13.061  -4.281
  129    H    ILE  18           H        ILE  18  -0.918  11.260  -2.080
  130    HA   ILE  18           HA       ILE  18   1.583  12.870  -2.141
  131    HB   ILE  18           HB       ILE  18   1.022  12.186   0.255
  132   1HG1  ILE  18          2HG1      ILE  18   3.478  12.385  -0.795
  133   2HG1  ILE  18          1HG1      ILE  18   3.195  11.973   0.868
  134   1HG2  ILE  18          2HG2      ILE  18   1.446   9.321  -0.712
  135   2HG2  ILE  18          1HG2      ILE  18   1.331   9.825   0.965
  136   3HG2  ILE  18          3HG2      ILE  18  -0.052  10.005  -0.087
  137   1HD1  ILE  18          1HD1      ILE  18   3.794   9.873  -1.297
  138   2HD1  ILE  18          3HD1      ILE  18   4.927  10.496  -0.124
  139   3HD1  ILE  18          2HD1      ILE  18   3.548   9.567   0.406
  140    H    LEU  19           H        LEU  19   3.483  11.146  -2.662
  141    HA   LEU  19           HA       LEU  19   2.367   9.592  -4.945
  142   1HB   LEU  19          2HB       LEU  19   5.151  10.560  -4.235
  143   2HB   LEU  19          1HB       LEU  19   4.997   9.306  -5.426
  144    HG   LEU  19           HG       LEU  19   3.781  12.154  -5.647
  145   1HD1  LEU  19          1HD1      LEU  19   6.201  12.043  -6.131
  146   2HD1  LEU  19          3HD1      LEU  19   5.898  10.783  -7.320
  147   3HD1  LEU  19          2HD1      LEU  19   5.249  12.392  -7.560
  148   1HD2  LEU  19          2HD2      LEU  19   3.637   9.870  -7.682
  149   2HD2  LEU  19          1HD2      LEU  19   2.263  10.474  -6.773
  150   3HD2  LEU  19          3HD2      LEU  19   3.066  11.509  -7.912
  151    H    LYS  20           H        LYS  20   2.299   7.440  -5.069
  152    HA   LYS  20           HA       LYS  20   3.984   5.790  -3.262
  153   1HB   LYS  20          2HB       LYS  20   0.948   5.441  -3.565
  154   2HB   LYS  20          1HB       LYS  20   1.910   4.464  -2.496
  155   1HG   LYS  20          2HG       LYS  20   2.026   7.464  -1.950
  156   2HG   LYS  20          1HG       LYS  20   0.457   6.781  -1.884
  157   1HD   LYS  20          2HD       LYS  20   1.762   6.891   0.336
  158   2HD   LYS  20          1HD       LYS  20   0.910   5.418  -0.033
  159   1HE   LYS  20          2HE       LYS  20   3.250   5.196   0.956
  160   2HE   LYS  20          1HE       LYS  20   2.860   4.210  -0.437
  161   1HZ   LYS  20          3HZ       LYS  20   3.835   6.706  -1.419
  162   2HZ   LYS  20          2HZ       LYS  20   4.922   6.195  -0.247
  163   3HZ   LYS  20          1HZ       LYS  20   4.513   5.168  -1.532
  164    H    TRP  21           H        TRP  21   3.750   3.268  -3.833
  165    HA   TRP  21           HA       TRP  21   3.610   3.082  -6.818
  166   1HB   TRP  21          2HB       TRP  21   5.116   1.375  -4.723
  167   2HB   TRP  21          1HB       TRP  21   4.957   0.899  -6.398
  168    HD1  TRP  21           HD1      TRP  21   6.663   3.512  -4.157
  169    HE1  TRP  21           HE1      TRP  21   8.509   4.550  -5.598
  170    HE3  TRP  21           HE3      TRP  21   5.724   1.305  -8.558
  171    HZ2  TRP  21           HZ2      TRP  21   9.566   4.400  -8.228
  172    HZ3  TRP  21           HZ3      TRP  21   7.140   1.693 -10.541
  173    HH2  TRP  21           HH2      TRP  21   9.074   3.234 -10.406
  174    H    TYR  22           H        TYR  22   2.132   1.517  -7.540
  175    HA   TYR  22           HA       TYR  22   0.599   0.062  -5.421
  176   1HB   TYR  22          2HB       TYR  22  -1.364   1.205  -6.090
  177   2HB   TYR  22          1HB       TYR  22  -0.275   2.302  -6.871
  178    HD1  TYR  22           HD1      TYR  22   0.237   2.077  -9.363
  179    HD2  TYR  22           HD2      TYR  22  -2.686  -0.243  -7.359
  180    HE1  TYR  22           HE1      TYR  22  -0.836   1.469 -11.559
  181    HE2  TYR  22           HE2      TYR  22  -3.714  -0.831  -9.558
  182    HH   TYR  22           HH       TYR  22  -2.390  -0.502 -12.419
  183    H    TYR  23           H        TYR  23  -0.363  -1.866  -6.098
  184    HA   TYR  23           HA       TYR  23   1.218  -3.214  -8.202
  185   1HB   TYR  23          2HB       TYR  23   0.681  -4.227  -5.923
  186   2HB   TYR  23          1HB       TYR  23  -0.993  -4.377  -6.487
  187    HD1  TYR  23           HD1      TYR  23   2.460  -5.254  -7.672
  188    HD2  TYR  23           HD2      TYR  23  -1.677  -6.234  -7.686
  189    HE1  TYR  23           HE1      TYR  23   2.936  -7.261  -9.005
  190    HE2  TYR  23           HE2      TYR  23  -1.187  -8.234  -9.016
  191    HH   TYR  23           HH       TYR  23   2.125  -9.044  -9.825
  192    H    ASP  24           H        ASP  24   0.574  -3.668 -10.091
  193    HA   ASP  24           HA       ASP  24  -2.201  -3.106 -10.995
  194   1HB   ASP  24          2HB       ASP  24  -0.437  -1.705 -11.713
  195   2HB   ASP  24          1HB       ASP  24   0.496  -3.059 -12.358
  196    HA   PRO  25           HA       PRO  25  -2.126  -7.751 -11.063
  197   1HB   PRO  25          2HB       PRO  25  -4.927  -7.781 -11.633
  198   2HB   PRO  25          1HB       PRO  25  -4.232  -7.857 -10.007
  199   1HG   PRO  25          2HG       PRO  25  -5.054  -5.353 -11.582
  200   2HG   PRO  25          1HG       PRO  25  -5.551  -5.803  -9.944
  201   1HD   PRO  25          2HD       PRO  25  -3.573  -4.100 -10.137
  202   2HD   PRO  25          1HD       PRO  25  -3.243  -5.505  -9.109
  203    H    ASN  26           H        ASN  26  -2.997  -5.527 -13.480
  204    HA   ASN  26           HA       ASN  26  -3.342  -7.434 -15.672
  205   1HB   ASN  26          2HB       ASN  26  -3.120  -4.384 -15.499
  206   2HB   ASN  26          1HB       ASN  26  -3.487  -5.235 -16.986
  207   1HD2  ASN  26          2HD2      ASN  26  -6.838  -5.172 -16.069
  208   2HD2  ASN  26          1HD2      ASN  26  -5.691  -5.000 -17.326
  209    H    THR  27           H        THR  27  -0.769  -5.404 -14.589
  210    HA   THR  27           HA       THR  27   1.094  -6.296 -16.790
  211    HB   THR  27           HB       THR  27   2.763  -4.717 -15.680
  212    HG1  THR  27           HG1      THR  27   0.622  -3.944 -14.014
  213   1HG2  THR  27          2HG2      THR  27   0.009  -3.384 -15.873
  214   2HG2  THR  27          1HG2      THR  27   1.559  -2.579 -15.883
  215   3HG2  THR  27          3HG2      THR  27   1.081  -3.603 -17.232
  216    H    LYS  28           H        LYS  28   0.485  -6.395 -13.521
  217    HA   LYS  28           HA       LYS  28   0.760  -7.754 -11.839
  218   1HB   LYS  28          2HB       LYS  28   2.472  -9.449 -13.805
  219   2HB   LYS  28          1HB       LYS  28   1.967 -10.049 -12.259
  220   1HG   LYS  28          2HG       LYS  28  -0.381  -8.964 -13.581
  221   2HG   LYS  28          1HG       LYS  28   0.486  -9.781 -14.807
  222   1HD   LYS  28          2HD       LYS  28  -1.178 -11.410 -13.658
  223   2HD   LYS  28          1HD       LYS  28   0.464 -11.976 -13.563
  224   1HE   LYS  28          2HE       LYS  28  -0.846 -12.131 -11.407
  225   2HE   LYS  28          1HE       LYS  28   0.688 -11.292 -11.254
  226   1HZ   LYS  28          3HZ       LYS  28  -1.297  -9.466 -12.129
  227   2HZ   LYS  28          2HZ       LYS  28  -1.849 -10.204 -10.697
  228   3HZ   LYS  28          1HZ       LYS  28  -0.319  -9.460 -10.725
  229    H    SER  29           H        SER  29   2.426  -5.675 -12.426
  230    HA   SER  29           HA       SER  29   4.588  -6.260 -10.494
  231   1HB   SER  29          2HB       SER  29   5.509  -6.105 -12.856
  232   2HB   SER  29          1HB       SER  29   4.791  -4.494 -13.022
  233    HG   SER  29           HG       SER  29   7.120  -5.140 -11.744
  234    H    CYS  30           H        CYS  30   5.323  -3.342 -10.683
  235    HA   CYS  30           HA       CYS  30   2.891  -2.096  -9.464
  236   1HB   CYS  30          2HB       CYS  30   5.726  -1.951  -8.460
  237   2HB   CYS  30          1HB       CYS  30   4.311  -1.269  -7.685
  238    H    ALA  31           H        ALA  31   2.562   0.032  -9.743
  239    HA   ALA  31           HA       ALA  31   4.407   1.589 -11.502
  240   1HB   ALA  31          2HB       ALA  31   1.340   1.408 -11.586
  241   2HB   ALA  31          1HB       ALA  31   2.288   2.437 -12.649
  242   3HB   ALA  31          3HB       ALA  31   2.416   0.688 -12.756
  243    H    ARG  32           H        ARG  32   3.658   3.937 -11.310
  244    HA   ARG  32           HA       ARG  32   3.420   4.604  -8.451
  245   1HB   ARG  32          2HB       ARG  32   5.088   5.509 -10.615
  246   2HB   ARG  32          1HB       ARG  32   4.348   6.900  -9.818
  247   1HG   ARG  32          2HG       ARG  32   5.166   6.028  -7.591
  248   2HG   ARG  32          1HG       ARG  32   5.841   4.631  -8.383
  249   1HD   ARG  32          2HD       ARG  32   6.784   7.522  -8.750
  250   2HD   ARG  32          1HD       ARG  32   7.625   6.228  -7.905
  251    HE   ARG  32           HE       ARG  32   7.559   4.930 -10.138
  252   1HH1  ARG  32          2HH1      ARG  32   6.015   7.163 -11.199
  253   2HH1  ARG  32          1HH1      ARG  32   7.101   7.896 -12.341
  254   1HH2  ARG  32          1HH2      ARG  32   9.651   6.127 -10.749
  255   2HH2  ARG  32          2HH2      ARG  32   9.376   7.242 -12.047
  256    H    PHE  33           H        PHE  33   2.089   6.041  -7.606
  257    HA   PHE  33           HA       PHE  33   0.351   7.697  -9.368
  258   1HB   PHE  33          2HB       PHE  33  -1.718   6.617  -8.752
  259   2HB   PHE  33          1HB       PHE  33  -0.601   5.306  -9.021
  260    HD1  PHE  33           HD2      PHE  33   0.619   4.331  -6.962
  261    HD2  PHE  33           HD1      PHE  33  -2.855   6.763  -6.673
  262    HE1  PHE  33           HE2      PHE  33   0.141   3.400  -4.736
  263    HE2  PHE  33           HE1      PHE  33  -3.328   5.820  -4.460
  264    HZ   PHE  33           HZ       PHE  33  -1.820   4.153  -3.480
  265    H    TRP  34           H        TRP  34  -1.111   9.121  -8.275
  266    HA   TRP  34           HA       TRP  34   0.178  10.412  -5.929
  267   1HB   TRP  34          2HB       TRP  34  -1.965  11.214  -8.030
  268   2HB   TRP  34          1HB       TRP  34  -1.932  12.066  -6.557
  269    HD1  TRP  34           HD1      TRP  34  -0.894  12.383  -9.692
  270    HE1  TRP  34           HE1      TRP  34   1.117  14.046  -9.839
  271    HE3  TRP  34           HE3      TRP  34   0.485  12.453  -4.924
  272    HZ2  TRP  34           HZ2      TRP  34   3.009  15.255  -8.139
  273    HZ3  TRP  34           HZ3      TRP  34   2.364  13.867  -4.128
  274    HH2  TRP  34           HH2      TRP  34   3.633  15.263  -5.728
  275    H    TYR  35           H        TYR  35  -0.519   8.448  -4.760
  276    HA   TYR  35           HA       TYR  35  -1.890   7.385  -3.112
  277   1HB   TYR  35          2HB       TYR  35  -1.194   9.506  -2.021
  278   2HB   TYR  35          1HB       TYR  35  -2.571  10.320  -2.749
  279    HD1  TYR  35           HD1      TYR  35  -1.772   7.560  -0.384
  280    HD2  TYR  35           HD2      TYR  35  -4.715  10.440  -1.504
  281    HE1  TYR  35           HE1      TYR  35  -3.037   7.117   1.689
  282    HE2  TYR  35           HE2      TYR  35  -5.913   9.960   0.572
  283    HH   TYR  35           HH       TYR  35  -5.145   7.333   2.613
  284    H    GLY  36           H        GLY  36  -4.033   7.806  -2.003
  285   1HA   GLY  36          2HA       GLY  36  -6.497   8.466  -2.708
  286   2HA   GLY  36          1HA       GLY  36  -6.157   6.933  -3.573
  287    H    GLY  37           H        GLY  37  -7.867   7.537  -1.162
  288   1HA   GLY  37          2HA       GLY  37  -8.400   5.691   0.263
  289   2HA   GLY  37          1HA       GLY  37  -6.760   5.161   0.154
  290    H    CYS  38           H        CYS  38  -8.548   7.752   1.955
  291    HA   CYS  38           HA       CYS  38  -6.918   8.414   4.004
  292   1HB   CYS  38          2HB       CYS  38  -9.456   7.001   4.882
  293   2HB   CYS  38          1HB       CYS  38  -8.736   8.452   5.495
  294    H    GLY  39           H        GLY  39  -8.393   5.477   3.652
  295   1HA   GLY  39          2HA       GLY  39  -6.420   3.807   5.214
  296   2HA   GLY  39          1HA       GLY  39  -8.151   3.449   5.272
  297    H    GLY  40           H        GLY  40  -9.127   3.154   3.010
  298   1HA   GLY  40          2HA       GLY  40  -9.258   1.710   1.069
  299   2HA   GLY  40          1HA       GLY  40  -7.747   2.473   0.611
  300    H    ASN  41           H        ASN  41  -6.988   0.376  -0.258
  301    HA   ASN  41           HA       ASN  41  -6.450  -1.664   1.929
  302   1HB   ASN  41          2HB       ASN  41  -6.642  -3.361   0.266
  303   2HB   ASN  41          1HB       ASN  41  -7.925  -2.221  -0.133
  304   1HD2  ASN  41          2HD2      ASN  41  -6.259  -1.137  -3.049
  305   2HD2  ASN  41          1HD2      ASN  41  -7.462  -0.667  -1.959
  306    H    GLU  42           H        GLU  42  -4.726  -3.144   1.535
  307    HA   GLU  42           HA       GLU  42  -2.245  -2.416   2.133
  308   1HB   GLU  42          2HB       GLU  42  -2.541  -4.683   0.181
  309   2HB   GLU  42          1HB       GLU  42  -1.547  -4.564   1.623
  310   1HG   GLU  42          2HG       GLU  42  -4.511  -5.221   1.440
  311   2HG   GLU  42          1HG       GLU  42  -3.260  -5.975   2.392
  312    H    ASN  43           H        ASN  43  -3.150  -2.861  -1.157
  313    HA   ASN  43           HA       ASN  43  -0.962  -2.707  -2.741
  314   1HB   ASN  43          2HB       ASN  43  -3.399  -2.895  -3.462
  315   2HB   ASN  43          1HB       ASN  43  -3.601  -1.206  -3.143
  316   1HD2  ASN  43          2HD2      ASN  43  -2.520  -2.427  -6.722
  317   2HD2  ASN  43          1HD2      ASN  43  -3.337  -3.368  -5.584
  318    H    LYS  44           H        LYS  44  -1.613   0.008  -0.781
  319    HA   LYS  44           HA       LYS  44  -0.129   1.938  -2.418
  320   1HB   LYS  44          2HB       LYS  44  -0.834   2.163   0.535
  321   2HB   LYS  44          1HB       LYS  44  -0.528   3.507  -0.541
  322   1HG   LYS  44          2HG       LYS  44  -2.638   3.058  -1.763
  323   2HG   LYS  44          1HG       LYS  44  -2.904   1.612  -0.821
  324   1HD   LYS  44          2HD       LYS  44  -2.758   3.149   1.316
  325   2HD   LYS  44          1HD       LYS  44  -2.787   4.514   0.219
  326   1HE   LYS  44          2HE       LYS  44  -5.006   4.088   1.102
  327   2HE   LYS  44          1HE       LYS  44  -4.966   3.790  -0.638
  328   1HZ   LYS  44          1HZ       LYS  44  -4.172   1.391   0.615
  329   2HZ   LYS  44          3HZ       LYS  44  -5.527   1.941   1.431
  330   3HZ   LYS  44          2HZ       LYS  44  -5.540   1.716  -0.274
  331    H    PHE  45           H        PHE  45   1.984   1.245  -2.734
  332    HA   PHE  45           HA       PHE  45   3.684   0.698  -0.369
  333   1HB   PHE  45          2HB       PHE  45   4.026   0.178  -3.336
  334   2HB   PHE  45          1HB       PHE  45   5.199  -0.275  -2.117
  335    HD1  PHE  45           HD1      PHE  45   4.378  -1.676  -0.186
  336    HD2  PHE  45           HD2      PHE  45   2.256  -1.328  -3.839
  337    HE1  PHE  45           HE1      PHE  45   3.238  -3.786   0.311
  338    HE2  PHE  45           HE2      PHE  45   1.112  -3.445  -3.375
  339    HZ   PHE  45           HZ       PHE  45   1.567  -4.681  -1.314
  340    H    GLY  46           H        GLY  46   5.832   1.249  -0.399
  341   1HA   GLY  46          2HA       GLY  46   6.435   4.145  -0.674
  342   2HA   GLY  46          1HA       GLY  46   7.430   2.924   0.115
  343    H    SER  47           H        SER  47   7.764   1.163  -1.847
  344    HA   SER  47           HA       SER  47   9.150   2.553  -4.092
  345   1HB   SER  47          2HB       SER  47  10.439   0.594  -2.228
  346   2HB   SER  47          1HB       SER  47  11.079   0.920  -3.857
  347    HG   SER  47           HG       SER  47  10.809   2.678  -1.692
  348    H    GLN  48           H        GLN  48   9.598   1.357  -6.033
  349    HA   GLN  48           HA       GLN  48   7.557  -0.397  -6.909
  350   1HB   GLN  48          2HB       GLN  48   9.080   0.808  -8.468
  351   2HB   GLN  48          1HB       GLN  48  10.441  -0.146  -7.951
  352   1HG   GLN  48          2HG       GLN  48   8.787  -2.244  -8.703
  353   2HG   GLN  48          1HG       GLN  48   8.051  -0.977  -9.649
  354   1HE2  GLN  48          2HE2      GLN  48  11.210  -2.584 -11.165
  355   2HE2  GLN  48          1HE2      GLN  48  10.371  -3.380  -9.905
  356    H    LYS  49           H        LYS  49  10.844  -1.300  -6.350
  357    HA   LYS  49           HA       LYS  49  10.399  -4.072  -6.425
  358   1HB   LYS  49          2HB       LYS  49  12.601  -2.440  -5.006
  359   2HB   LYS  49          1HB       LYS  49  12.688  -4.186  -5.138
  360   1HG   LYS  49          2HG       LYS  49  12.018  -3.443  -7.772
  361   2HG   LYS  49          1HG       LYS  49  12.998  -2.097  -7.262
  362   1HD   LYS  49          2HD       LYS  49  14.958  -3.371  -6.974
  363   2HD   LYS  49          1HD       LYS  49  14.099  -4.869  -6.702
  364   1HE   LYS  49          2HE       LYS  49  14.182  -3.431  -9.390
  365   2HE   LYS  49          1HE       LYS  49  15.225  -4.789  -8.956
  366   1HZ   LYS  49          1HZ       LYS  49  12.545  -5.394  -8.208
  367   2HZ   LYS  49          3HZ       LYS  49  12.417  -4.920  -9.723
  368   3HZ   LYS  49          2HZ       LYS  49  13.402  -6.230  -9.328
  369    H    GLU  50           H        GLU  50   9.732  -2.063  -3.736
  370    HA   GLU  50           HA       GLU  50   9.657  -4.083  -1.759
  371   1HB   GLU  50          2HB       GLU  50   9.882  -1.845  -1.136
  372   2HB   GLU  50          1HB       GLU  50   8.550  -1.333  -2.163
  373   1HG   GLU  50          2HG       GLU  50   6.994  -2.682  -0.543
  374   2HG   GLU  50          1HG       GLU  50   8.379  -2.786   0.526
  375    H    CYS  51           H        CYS  51   7.119  -2.294  -3.405
  376    HA   CYS  51           HA       CYS  51   4.843  -3.891  -2.987
  377   1HB   CYS  51          2HB       CYS  51   4.797  -1.732  -4.139
  378   2HB   CYS  51          1HB       CYS  51   5.769  -2.350  -5.430
  379    H    GLU  52           H        GLU  52   7.200  -4.181  -5.557
  380    HA   GLU  52           HA       GLU  52   6.306  -6.470  -6.952
  381   1HB   GLU  52          2HB       GLU  52   8.174  -4.786  -7.481
  382   2HB   GLU  52          1HB       GLU  52   9.079  -5.486  -6.166
  383   1HG   GLU  52          2HG       GLU  52   9.123  -7.718  -7.621
  384   2HG   GLU  52          1HG       GLU  52   8.558  -6.677  -8.896
  385    H    LYS  53           H        LYS  53   8.547  -6.362  -4.199
  386    HA   LYS  53           HA       LYS  53   8.342  -9.270  -4.035
  387   1HB   LYS  53          2HB       LYS  53  10.070  -7.161  -2.960
  388   2HB   LYS  53          1HB       LYS  53   9.481  -8.073  -1.603
  389   1HG   LYS  53          2HG       LYS  53  10.889  -9.793  -2.057
  390   2HG   LYS  53          1HG       LYS  53  10.112 -10.089  -3.561
  391   1HD   LYS  53          2HD       LYS  53  12.619  -8.442  -3.015
  392   2HD   LYS  53          1HD       LYS  53  12.396  -9.798  -4.097
  393   1HE   LYS  53          2HE       LYS  53  11.380  -6.991  -4.595
  394   2HE   LYS  53          1HE       LYS  53  12.697  -7.820  -5.398
  395   1HZ   LYS  53          2HZ       LYS  53  10.505  -9.507  -5.560
  396   2HZ   LYS  53          1HZ       LYS  53   9.965  -7.987  -6.060
  397   3HZ   LYS  53          3HZ       LYS  53  11.265  -8.732  -6.801
  398    H    VAL  54           H        VAL  54   6.007  -7.212  -3.176
  399    HA   VAL  54           HA       VAL  54   5.162  -8.692  -0.729
  400    HB   VAL  54           HB       VAL  54   4.298  -6.136  -2.143
  401   1HG1  VAL  54          2HG1      VAL  54   3.211  -7.504   0.419
  402   2HG1  VAL  54          1HG1      VAL  54   2.680  -5.931  -0.118
  403   3HG1  VAL  54          3HG1      VAL  54   2.296  -7.357  -1.066
  404   1HG2  VAL  54          1HG2      VAL  54   6.339  -5.996  -0.706
  405   2HG2  VAL  54          3HG2      VAL  54   5.044  -5.076   0.013
  406   3HG2  VAL  54          2HG2      VAL  54   5.458  -6.661   0.648
  407    H    CYS  55           H        CYS  55   4.308  -7.884  -4.013
  408    HA   CYS  55           HA       CYS  55   2.201 -10.051  -4.055
  409   1HB   CYS  55          2HB       CYS  55   1.243  -7.925  -4.831
  410   2HB   CYS  55          1HB       CYS  55   2.583  -7.687  -5.922
  411    H    ALA  56           H        ALA  56   4.905  -8.820  -6.041
  412    HA   ALA  56           HA       ALA  56   4.753 -11.205  -7.773
  413   1HB   ALA  56          2HB       ALA  56   5.257  -8.954  -8.712
  414   2HB   ALA  56          1HB       ALA  56   6.690  -8.854  -7.702
  415   3HB   ALA  56          3HB       ALA  56   6.624 -10.041  -8.975
  416    HA   PRO  57           HA       PRO  57   7.238 -12.949  -4.433
  417   1HB   PRO  57          2HB       PRO  57   6.611 -15.542  -4.650
  418   2HB   PRO  57          1HB       PRO  57   5.330 -14.344  -4.347
  419   1HG   PRO  57          2HG       PRO  57   6.275 -15.351  -7.107
  420   2HG   PRO  57          1HG       PRO  57   4.650 -15.550  -6.435
  421   1HD   PRO  57          2HD       PRO  57   5.178 -13.378  -7.997
  422   2HD   PRO  57          1HD       PRO  57   4.206 -13.203  -6.527
  423    H    VAL  58           HN       VAL  58   8.950 -12.152  -6.207
  424    HA   VAL  58           HA       VAL  58  11.139 -14.104  -6.260
  425    HB   VAL  58           HB       VAL  58  10.474 -12.347  -8.682
  426   1HG1  VAL  58          3HG1      VAL  58  12.172 -14.855  -8.379
  427   2HG1  VAL  58          2HG1      VAL  58  11.980 -13.971  -9.890
  428   3HG1  VAL  58          1HG1      VAL  58  12.788 -13.222  -8.521
  429   1HG2  VAL  58          1HG2      VAL  58   9.727 -15.298  -8.333
  430   2HG2  VAL  58          3HG2      VAL  58   8.576 -13.985  -8.442
  431   3HG2  VAL  58          2HG2      VAL  58   9.558 -14.398  -9.838
   
  No H/Q in entry =         431