*HEADER    ANTIFREEZE PROTEIN                      14-DEC-98   2AFP      
*TITLE     THE SOLUTION STRUCTURE OF TYPE II ANTIFREEZE PROTEIN          
*TITLE    2 REVEALS A NEW MEMBER OF THE LECTIN FAMILY                    
*COMPND    MOL_ID: 1;                                                    
*COMPND   2 MOLECULE: SEA RAVEN TYPE II ANTIFREEZE PROTEIN;              
*COMPND   3 CHAIN: A;                                                    
*COMPND   4 ENGINEERED: YES;                                             
*COMPND   5 OTHER_DETAILS: SIX AMINO ACID HIS TAG WAS ADDED AT THE C-    
*COMPND   6 TERMINAL END TO FACILITATE RECOVERY OF THE SECRETED AFP      
*COMPND   7 FROM THE MEDIUM USING AFFINITY CHROMATOGRAPHY.               
*SOURCE    MOL_ID: 1;                                                    
*SOURCE   2 ORGANISM_SCIENTIFIC: HEMITRIPTERUS AMERICANUS;               
*SOURCE   3 ORGANISM_COMMON: SEA RAVEN;                                  
*SOURCE   4 ORGAN: BLOOD;                                                
*SOURCE   5 EXPRESSION_SYSTEM: PICHIA PASTORIS;                          
*SOURCE   6 EXPRESSION_SYSTEM_STRAIN: GS115;                             
*SOURCE   7 EXPRESSION_SYSTEM_PLASMID: PPIC9-SRM-CTHT;                   
*SOURCE   8 EXPRESSION_SYSTEM_GENE: SRAFP GENE                           
*KEYWDS    RECOMBINANT SEA RAVEN PROTEIN, SOLUTION BACKBONE FOLD, C-     
*KEYWDS   2 TYPE LECTIN, ANTIFREEZE PROTEIN                              
*EXPDTA    NMR, 5 STRUCTURES                                             
*AUTHOR    W.GRONWALD,M.C.LOEWEN,B.LIX,A.J.DAUGULIS,F.D.SONNICHSEN,      
*AUTHOR   2 P.L.DAVIES,B.D.SYKES                                         
*REVDAT   1   12-OCT-04 2AFP    0   

! Summary of NOEs which were used in structure calculations
! In the corresponding paper the number of unique NOEs is counted.
! NOEs like the following two were counted as one (for example no stereospecific 
! assignment was available  for methylene protons).
! assign (resid   2 and name   HN) (resid   2 and name  HB*)  3.48  1.78  2.07
! assign (resid   2 and name   HN) (resid   2 and name  HB*)  3.24  1.54  1.84
! 3d_noe_pseu.tbl
assign (resid   2 and name   HN) (resid   2 and name   HA)  2.70  1.00  1.30
assign (resid   2 and name   HN) (resid   2 and name  HB*)  3.48  1.78  2.07
assign (resid   2 and name   HN) (resid   2 and name  HB*)  3.24  1.54  1.84
assign (resid   2 and name   HN) (resid   1 and name  HB*)  3.85  2.15  2.45
assign (resid   3 and name   HN) (resid   2 and name  HB*)  3.10  1.40  1.70
assign (resid   3 and name   HN) (resid   3 and name   HA)  2.72  1.02  1.32
assign (resid   3 and name   HN) (resid   3 and name  HB*)  2.80  1.10  1.40
assign (resid   3 and name   HN) (resid   2 and name   HA)  2.36  0.66  0.97
assign (resid   6 and name   HN) (resid   6 and name   HA)  2.89  1.19  1.49
assign (resid   7 and name   HN) (resid   7 and name   HA)  2.79  1.09  1.39
assign (resid   7 and name   HN) (resid   6 and name   HA)  2.54  0.84  1.14
assign (resid   9 and name   HN) (resid   9 and name   HA)  2.71  1.01  1.30
assign (resid   9 and name   HN) (resid   9 and name  HB*)  2.65  0.95  1.25
assign (resid  10 and name   HN) (resid  11 and name   HN)  3.14  1.44  1.74
assign (resid  10 and name   HN) (resid  10 and name  HA*)  3.35  1.66  1.95
assign (resid  10 and name   HN) (resid   9 and name   HA)  3.02  1.32  1.62
assign (resid  10 and name   HN) (resid  10 and name  HA*)  3.33  1.63  1.93
assign (resid  10 and name   HN) (resid   9 and name  HB*)  3.85  2.15  2.45
assign (resid  11 and name   HN) (resid  10 and name  HA*)  2.79  1.09  1.40
assign (resid  11 and name   HN) (resid  10 and name  HA*)  2.79  1.09  1.39
assign (resid  11 and name   HN) (resid   9 and name  HB*)  3.56  1.86  2.15
assign (resid  11 and name   HN) (resid  11 and name  HB*)  2.70  1.00  1.30
assign (resid  11 and name   HN) (resid  12 and name   HN)  3.63  1.93  2.23
assign (resid  11 and name   HN) (resid  11 and name   HA)  2.72  1.02  1.32
assign (resid  11 and name   HN) (resid  11 and name  HB*)  2.79  1.09  1.39
assign (resid  11 and name  HE1) (resid  11 and name  HD1)  2.29  0.59  0.89
assign (resid  11 and name  HE1) (resid  11 and name  HZ2)  2.50  0.80  1.09
assign (resid  12 and name   HN) (resid  11 and name  HB*)  3.48  1.78  2.08
assign (resid  12 and name   HN) (resid  12 and name  HB*)  3.21  1.51  1.81
assign (resid  12 and name   HN) (resid  12 and name  HB*)  3.15  1.45  1.75
assign (resid  12 and name   HN) (resid  12 and name   HA)  2.69  0.99  1.29
assign (resid  12 and name   HN) (resid  19 and name   HN)  3.17  1.47  1.77
assign (resid  12 and name   HN) (resid  11 and name  HB*)  3.06  1.36  1.66
assign (resid  12 and name   HN) (resid  19 and name   HA)  3.41  1.71  2.00
assign (resid  14 and name   HN) (resid  19 and name   HN)  3.53  1.83  2.13
assign (resid  14 and name   HN) (resid  15 and name   HN)  3.58  1.89  2.18
assign (resid  14 and name   HN) (resid  14 and name   HA)  2.70  1.00  1.30
assign (resid  14 and name   HN) (resid  14 and name  HB*)  3.04  1.34  1.64
assign (resid  14 and name   HN) (resid  14 and name  HD*)  3.15  1.45  1.74
assign (resid  15 and name   HN) (resid  14 and name   HA)  3.02  1.32  1.62
assign (resid  15 and name   HN) (resid  15 and name  HA*)  3.16  1.46  1.76
assign (resid  15 and name   HN) (resid  15 and name  HA*)  3.29  1.59  1.89
assign (resid  15 and name   HN) (resid  16 and name   HN)  3.56  1.86  2.15
assign (resid  16 and name   HN) (resid  17 and name   HN)  2.60  0.90  1.20
assign (resid  16 and name   HN) (resid  15 and name  HA*)  2.58  0.88  1.18
assign (resid  16 and name   HN) (resid  15 and name  HA*)  2.50  0.80  1.09
assign (resid  16 and name   HN) (resid  16 and name  HB*)  2.80  1.10  1.40
assign (resid  16 and name   HN) (resid  16 and name   HA)  2.71  1.01  1.30
assign (resid  17 and name   HN) (resid  16 and name   HA)  2.81  1.11  1.41
assign (resid  17 and name   HN) (resid  18 and name   HN)  2.90  1.20  1.49
assign (resid  17 and name   HN) (resid  15 and name  HA*)  2.98  1.28  1.57
assign (resid  17 and name   HN) (resid  16 and name  HB*)  3.29  1.59  1.89
assign (resid  17 and name   HN) (resid  17 and name  HB*)  2.65  0.95  1.26
assign (resid  17 and name   HN) (resid  17 and name   HA)  2.72  1.02  1.32
assign (resid  17 and name   HN) (resid  15 and name  HA*)  3.28  1.58  1.88
assign (resid  18 and name   HN) (resid  18 and name   HA)  2.83  1.13  1.43
assign (resid  18 and name   HN) (resid  18 and name  HB*)  2.94  1.24  1.53
assign (resid  18 and name   HN) (resid 126 and name  HB*)  3.85  2.15  2.45
assign (resid  18 and name   HN) (resid  18 and name  HB*)  2.65  0.95  1.26
assign (resid  18 and name   HN) (resid 127 and name   HN)  2.61  0.91  1.21
assign (resid  18 and name   HN) (resid  17 and name  HB*)  2.44  0.74  1.05
assign (resid  18 and name   HN) (resid  17 and name   HA)  2.30  0.60  0.90
assign (resid  18 and name   HN) (resid 128 and name   HA)  2.86  1.16  1.46
assign (resid  19 and name   HN) (resid  18 and name  HB*)  3.52  1.82  2.12
assign (resid  19 and name   HN) (resid  19 and name   HB)  3.06  1.36  1.66
assign (resid  19 and name   HN) (resid  19 and name HG2*)  3.85  2.15  2.45
assign (resid  19 and name   HN) (resid  19 and name   HA)  2.69  0.99  1.30
assign (resid  19 and name   HN) (resid  18 and name   HA)  2.69  0.99  1.30
assign (resid  19 and name   HN) (resid  12 and name   HA)  3.68  1.98  2.27
assign (resid  19 and name   HN) (resid  18 and name  HB*)  3.20  1.50  1.80
assign (resid  20 and name   HN) (resid 126 and name   HA)  2.81  1.11  1.41
assign (resid  20 and name   HN) (resid  20 and name   HA)  2.75  1.05  1.35
assign (resid  20 and name   HN) (resid  20 and name  HB*)  2.71  1.01  1.32
assign (resid  20 and name   HN) (resid  21 and name   HN)  3.37  1.68  1.97
assign (resid  20 and name   HN) (resid  19 and name HD1*)  2.78  1.08  1.38
assign (resid  20 and name   HN) (resid  19 and name   HA)  2.27  0.57  0.88
assign (resid  20 and name   HN) (resid  19 and name   HB)  2.57  0.87  1.17
assign (resid  20 and name   HN) (resid 125 and name  HB*)  3.08  1.38  1.68
assign (resid  20 and name   HN) (resid  19 and name   HN)  3.18  1.48  1.78
assign (resid  20 and name   HN) (resid  20 and name  HB*)  2.40  0.70  1.01
assign (resid  20 and name   HN) (resid 125 and name   HN)  2.65  0.95  1.24
assign (resid  20 and name   HN) (resid 125 and name  HB*)  2.88  1.18  1.47
assign (resid  20 and name   HN) (resid 126 and name  HB*)  3.85  2.15  2.45
assign (resid  21 and name   HN) (resid  21 and name   HA)  2.73  1.03  1.32
assign (resid  21 and name   HN) (resid  20 and name  HB*)  2.79  1.09  1.39
assign (resid  21 and name   HN) (resid  21 and name  HB*)  2.45  0.75  1.05
assign (resid  21 and name   HN) (resid  21 and name  HB*)  2.42  0.72  1.01
assign (resid  21 and name   HN) (resid  20 and name   HA)  2.27  0.57  0.87
assign (resid  21 and name   HN) (resid  20 and name  HB*)  3.02  1.32  1.62
assign (resid  21 and name   HN) (resid  22 and name   HN)  3.19  1.49  1.78
assign (resid  22 and name   HN) (resid  22 and name  HB*)  2.59  0.89  1.19
assign (resid  22 and name   HN) (resid  21 and name   HA)  2.30  0.60  0.90
assign (resid  22 and name   HN) (resid 124 and name   HA)  2.73  1.03  1.33
assign (resid  22 and name   HN) (resid  21 and name  HB*)  2.78  1.08  1.38
assign (resid  22 and name   HN) (resid  21 and name  HB*)  3.14  1.44  1.74
assign (resid  22 and name   HN) (resid  22 and name  HB*)  2.61  0.91  1.22
assign (resid  22 and name   HN) (resid  22 and name   HA)  2.73  1.03  1.32
assign (resid  22 and name   HN) (resid  23 and name   HN)  3.29  1.59  1.89
assign (resid  23 and name   HN) (resid  22 and name  HB*)  3.12  1.42  1.72
assign (resid  23 and name   HN) (resid  22 and name   HA)  2.35  0.65  0.95
assign (resid  23 and name   HN) (resid  23 and name HG2*)  2.89  1.19  1.49
assign (resid  23 and name   HN) (resid  22 and name  HB*)  3.18  1.48  1.78
assign (resid  23 and name   HN) (resid  24 and name   HN)  2.58  0.88  1.18
assign (resid  23 and name   HN) (resid  23 and name   HA)  2.70  1.00  1.30
assign (resid  24 and name   HN) (resid  22 and name  HB*)  3.48  1.78  2.07
assign (resid  24 and name   HN) (resid  24 and name   HB)  2.44  0.74  1.05
assign (resid  24 and name   HN) (resid  24 and name   HA)  2.71  1.01  1.30
assign (resid  24 and name   HN) (resid  24 and name HG2*)  3.21  1.51  1.80
assign (resid  24 and name   HN) (resid  23 and name   HA)  3.08  1.38  1.68
assign (resid  24 and name   HN) (resid  23 and name HG2*)  3.85  2.15  2.45
assign (resid  24 and name   HN) (resid  25 and name   HN)  3.17  1.47  1.77
assign (resid  24 and name   HN) (resid  22 and name  HB*)  3.25  1.55  1.85
assign (resid  25 and name   HN) (resid  24 and name   HB)  2.76  1.06  1.36
assign (resid  25 and name   HN) (resid  25 and name   HA)  2.72  1.02  1.32
assign (resid  25 and name   HN) (resid  24 and name   HA)  2.17  0.47  0.77
assign (resid  25 and name   HN) (resid  25 and name  HB*)  2.46  0.76  1.06
assign (resid  25 and name   HN) (resid 121 and name   HA)  3.49  1.79  2.09
assign (resid  26 and name   HN) (resid  26 and name  HB*)  3.29  1.59  1.89
assign (resid  26 and name   HN) (resid  26 and name  HB*)  2.95  1.25  1.55
assign (resid  26 and name   HN) (resid  25 and name  HB*)  2.88  1.18  1.48
assign (resid  26 and name   HN) (resid  25 and name   HA)  2.31  0.61  0.92
assign (resid  26 and name   HN) (resid  26 and name   HA)  2.71  1.01  1.32
assign (resid  26 and name   HN) (resid 121 and name   HN)  2.45  0.75  1.05
assign (resid  26 and name   HN) (resid 122 and name   HA)  2.79  1.09  1.40
assign (resid  27 and name   HN) (resid  26 and name   HN)  3.40  1.70  1.99
assign (resid  27 and name   HN) (resid 121 and name   HN)  3.40  1.70  2.00
assign (resid  27 and name   HN) (resid  30 and name   HN)  3.10  1.40  1.70
assign (resid  27 and name   HN) (resid  30 and name  HB*)  2.71  1.01  1.30
assign (resid  27 and name   HN) (resid  26 and name  HB*)  2.54  0.84  1.15
assign (resid  27 and name   HN) (resid  28 and name   HN)  3.71  2.00  2.30
assign (resid  27 and name   HN) (resid  27 and name   HA)  2.72  1.02  1.32
assign (resid  27 and name   HN) (resid  27 and name HG2*)  2.50  0.80  1.09
assign (resid  27 and name   HN) (resid  26 and name   HA)  2.30  0.60  0.90
assign (resid  27 and name   HN) (resid  26 and name  HB*)  2.67  0.97  1.26
assign (resid  27 and name   HN) (resid  30 and name   HG)  3.19  1.49  1.79
assign (resid  27 and name   HN) (resid  27 and name   HB)  3.12  1.42  1.72
assign (resid  28 and name   HN) (resid  28 and name  HB*)  3.02  1.32  1.62
assign (resid  28 and name   HN) (resid  27 and name   HA)  3.03  1.33  1.63
assign (resid  28 and name   HN) (resid  27 and name HG2*)  3.48  1.78  2.08
assign (resid  28 and name   HN) (resid  29 and name   HN)  3.12  1.42  1.72
assign (resid  28 and name  HE1) (resid 101 and name  HB*)  3.85  2.15  2.45
assign (resid  28 and name  HE1) (resid  78 and name   HA)  3.56  1.86  2.15
assign (resid  28 and name  HE1) (resid  66 and name   HN)  3.83  2.13  2.43
assign (resid  28 and name  HE1) (resid  64 and name   HN)  3.65  1.95  2.24
assign (resid  29 and name   HN) (resid  29 and name  HB*)  2.66  0.96  1.26
assign (resid  29 and name   HN) (resid  28 and name  HB*)  2.79  1.09  1.39
assign (resid  29 and name   HN) (resid  30 and name   HN)  2.75  1.05  1.36
assign (resid  29 and name   HN) (resid  29 and name   HA)  2.71  1.01  1.30
assign (resid  30 and name   HN) (resid  32 and name   HN)  3.78  2.08  2.38
assign (resid  30 and name   HN) (resid  30 and name  HB*)  2.60  0.90  1.20
assign (resid  30 and name   HN) (resid  30 and name   HG)  2.71  1.01  1.30
assign (resid  30 and name   HN) (resid  30 and name  HB*)  2.38  0.68  0.98
assign (resid  30 and name   HN) (resid  26 and name  HB*)  3.70  2.00  2.29
assign (resid  30 and name   HN) (resid  31 and name   HN)  2.54  0.84  1.14
assign (resid  30 and name   HN) (resid  33 and name   HB)  3.37  1.68  1.97
assign (resid  30 and name   HN) (resid  27 and name   HB)  2.81  1.11  1.42
assign (resid  30 and name   HN) (resid  30 and name  HD*)  3.65  1.95  2.24
assign (resid  30 and name   HN) (resid  30 and name  HD*)  3.51  1.81  2.11
assign (resid  30 and name   HN) (resid  29 and name   HA)  3.12  1.42  1.72
assign (resid  30 and name   HN) (resid  30 and name   HA)  2.71  1.01  1.30
assign (resid  30 and name   HN) (resid  26 and name  HB*)  3.31  1.61  1.91
assign (resid  31 and name   HN) (resid  30 and name  HD*)  3.85  2.15  2.45
assign (resid  31 and name   HN) (resid  33 and name   HN)  3.40  1.70  2.00
assign (resid  31 and name   HN) (resid  30 and name  HB*)  2.86  1.16  1.46
assign (resid  31 and name   HN) (resid  31 and name   HA)  2.71  1.01  1.32
assign (resid  31 and name   HN) (resid  31 and name  HB*)  2.68  0.98  1.28
assign (resid  31 and name   HN) (resid  30 and name   HA)  2.98  1.28  1.58
assign (resid  31 and name   HN) (resid  32 and name   HN)  3.12  1.43  1.72
assign (resid  31 and name   HN) (resid  26 and name  HB*)  3.31  1.61  1.91
assign (resid  31 and name   HN) (resid  26 and name  HB*)  3.25  1.55  1.85
assign (resid  32 and name   HN) (resid  33 and name   HN)  3.11  1.41  1.71
assign (resid  33 and name   HN) (resid  30 and name   HA)  2.81  1.11  1.41
assign (resid  33 and name   HN) (resid  35 and name   HN)  3.43  1.73  2.02
assign (resid  33 and name   HN) (resid  33 and name   HB)  2.54  0.84  1.14
assign (resid  33 and name   HN) (resid  33 and name   HA)  2.71  1.01  1.30
assign (resid  33 and name   HN) (resid  34 and name   HN)  2.91  1.21  1.51
assign (resid  33 and name   HN) (resid  33 and name HG2*)  3.04  1.34  1.64
assign (resid  34 and name   HN) (resid  34 and name  HB*)  2.83  1.14  1.44
assign (resid  34 and name   HN) (resid  31 and name   HA)  3.15  1.45  1.75
assign (resid  34 and name   HN) (resid  33 and name   HA)  3.53  1.83  2.13
assign (resid  34 and name   HN) (resid  34 and name  HB*)  2.91  1.21  1.51
assign (resid  34 and name   HN) (resid  33 and name HG2*)  3.75  2.05  2.35
assign (resid  34 and name   HN) (resid  34 and name   HA)  2.69  0.99  1.29
assign (resid  34 and name   HN) (resid  35 and name   HN)  2.88  1.18  1.48
assign (resid  35 and name   HN) (resid  35 and name  HB*)  2.92  1.22  1.51
assign (resid  35 and name   HN) (resid  34 and name  HB*)  2.76  1.06  1.36
assign (resid  35 and name   HN) (resid  34 and name  HB*)  2.90  1.20  1.50
assign (resid  35 and name   HN) (resid  35 and name   HA)  2.70  1.00  1.30
assign (resid  35 and name   HN) (resid  32 and name   HA)  3.21  1.51  1.80
assign (resid  36 and name   HN) (resid  33 and name   HA)  2.95  1.25  1.55
assign (resid  36 and name   HN) (resid  36 and name   HA)  2.71  1.01  1.30
assign (resid  36 and name   HN) (resid  36 and name  HB*)  2.83  1.13  1.43
assign (resid  36 and name   HN) (resid  35 and name  HB*)  2.87  1.17  1.47
assign (resid  37 and name   HN) (resid  37 and name   HA)  2.69  0.99  1.30
assign (resid  37 and name   HN) (resid  38 and name   HN)  2.74  1.04  1.34
assign (resid  37 and name   HN) (resid  39 and name   HN)  3.83  2.13  2.43
assign (resid  37 and name   HN) (resid  37 and name  HB*)  2.73  1.03  1.33
assign (resid  37 and name   HN) (resid  36 and name   HA)  3.19  1.49  1.78
assign (resid  37 and name   HN) (resid  34 and name   HA)  3.10  1.40  1.70
assign (resid  37 and name   HN) (resid  36 and name  HB*)  3.43  1.73  2.02
assign (resid  38 and name   HN) (resid  40 and name   HN)  3.51  1.81  2.11
assign (resid  38 and name   HN) (resid  37 and name   HA)  2.98  1.28  1.58
assign (resid  38 and name   HN) (resid  38 and name   HA)  2.70  1.00  1.30
assign (resid  38 and name   HN) (resid  38 and name  HD*)  3.34  1.64  1.94
assign (resid  38 and name   HN) (resid  39 and name   HN)  3.05  1.35  1.65
assign (resid  38 and name   HN) (resid  35 and name   HA)  2.89  1.19  1.49
assign (resid  38 and name   HN) (resid  38 and name  HB*)  2.48  0.78  1.08
assign (resid  38 and name   HN) (resid  38 and name  HB*)  2.70  1.00  1.30
assign (resid  38 and name   HN) (resid  37 and name  HB*)  2.92  1.22  1.52
assign (resid  38 and name   HN) (resid  38 and name  HD*)  3.34  1.64  1.94
assign (resid  39 and name   HN) (resid  38 and name  HD*)  3.85  2.15  2.45
assign (resid  39 and name   HN) (resid  38 and name  HB*)  3.85  2.15  2.45
assign (resid  39 and name   HN) (resid  38 and name  HB*)  3.85  2.15  2.45
assign (resid  39 and name   HN) (resid  39 and name  HA*)  3.19  1.49  1.79
assign (resid  39 and name   HN) (resid  37 and name   HA)  3.85  2.15  2.45
assign (resid  39 and name   HN) (resid  39 and name  HA*)  3.08  1.39  1.68
assign (resid  39 and name   HN) (resid  40 and name   HN)  3.16  1.46  1.76
assign (resid  39 and name   HN) (resid  38 and name  HD*)  3.85  2.15  2.45
assign (resid  40 and name   HN) (resid  40 and name  HA*)  3.71  2.00  2.30
assign (resid  40 and name   HN) (resid  38 and name  HB*)  3.85  2.15  2.45
assign (resid  40 and name   HN) (resid  40 and name  HA*)  3.64  1.94  2.23
assign (resid  40 and name   HN) (resid  39 and name  HA*)  3.73  2.04  2.33
assign (resid  40 and name   HN) (resid  39 and name  HA*)  3.41  1.71  2.01
assign (resid  41 and name   HN) (resid  40 and name  HA*)  2.72  1.02  1.32
assign (resid  41 and name   HN) (resid  41 and name   HA)  2.70  1.00  1.30
assign (resid  41 and name   HN) (resid 125 and name  HB*)  3.48  1.78  2.08
assign (resid  41 and name   HN) (resid 126 and name   HN)  2.85  1.16  1.45
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! 2d_noe_pseu.tbl
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assign (resid  68 and name  HB*) (resid  75 and name  HZ3)  3.02  1.32  1.62
assign (resid  99 and name  HB*) (resid 115 and name   HA)  2.98  1.28  1.58
assign (resid 100 and name   HA) (resid  75 and name  HH2)  3.02  1.32  1.62
assign (resid 101 and name   HA) (resid  67 and name   HA)  2.56  0.86  1.17
assign (resid 101 and name   HA) (resid  75 and name  HZ3)  2.83  1.14  1.44
assign (resid 101 and name   HA) (resid  75 and name  HZ3)  2.83  1.14  1.44
assign (resid 101 and name  HB*) (resid  28 and name  HD1)  2.58  0.88  1.18
assign (resid 101 and name  HB*) (resid  63 and name  HH2)  2.54  0.84  1.15
assign (resid 101 and name  HB*) (resid  63 and name  HZ3)  2.55  0.85  1.15
assign (resid 101 and name  HB*) (resid  28 and name  HD1)  2.36  0.66  0.96
assign (resid 101 and name  HB*) (resid  63 and name  HZ3)  2.60  0.91  1.20
assign (resid 101 and name   HN) (resid 115 and name   HN)  2.75  1.05  1.35
assign (resid 125 and name  HB*) (resid  11 and name  HH2)  2.91  1.21  1.51
assign (resid 125 and name  HB*) (resid  20 and name  HD*)  3.46  1.76  2.06
assign (resid 125 and name  HB*) (resid  11 and name  HH2)  2.96  1.26  1.56
assign (resid 125 and name  HB*) (resid  20 and name  HD*)  3.17  1.47  1.77
assign (resid 113 and name   HA) (resid 114 and name   HN)  2.78  1.08  1.38
assign (resid 114 and name   HA) (resid 114 and name   HN)  3.34  1.64  1.94
assign (resid 114 and name   HA) (resid 115 and name   HN)  2.62  0.93  1.22
assign (resid 114 and name   HA) (resid  75 and name  HH2)  3.16  1.46  1.76
assign (resid 114 and name  HB*) (resid 114 and name   HN)  3.39  1.69  1.99
assign (resid 129 and name   HA) (resid 129 and name  HD*)  2.83  1.13  1.43
assign (resid 129 and name  HB*) (resid 129 and name  HD*)  2.78  1.08  1.38
assign (resid 129 and name  HB*) (resid 129 and name  HD*)  2.81  1.11  1.42
assign (resid 129 and name  HE*) (resid 129 and name  HD*)  2.56  0.86  1.17
assign (resid  53 and name   HA) (resid  53 and name  HD*)  2.37  0.67  0.97
assign (resid  53 and name  HB*) (resid  50 and name   HA)  2.44  0.74  1.04
assign (resid  53 and name  HB*) (resid  53 and name  HD*)  2.31  0.61  0.92
assign (resid  53 and name  HB*) (resid  53 and name  HE*)  3.00  1.30  1.59
assign (resid  53 and name  HB*) (resid  50 and name   HA)  2.39  0.69  0.99
assign (resid  53 and name  HB*) (resid  53 and name  HD*)  2.33  0.63  0.93
assign (resid  53 and name  HB*) (resid  53 and name  HE*)  2.98  1.28  1.58
assign (resid  53 and name  HD*) (resid  53 and name  HE*)  2.56  0.86  1.17
assign (resid  53 and name   HN) (resid  53 and name  HD*)  2.85  1.16  1.45
assign (resid  65 and name  HA*) (resid  77 and name  HE3)  2.89  1.19  1.49
assign (resid  66 and name  HA*) (resid  77 and name   HA)  2.56  0.86  1.17
assign (resid  66 and name  HA*) (resid  77 and name   HA)  2.68  0.98  1.28
assign (resid 121 and name  HB*) (resid  63 and name  HD1)  3.23  1.53  1.82
assign (resid 121 and name  HB*) (resid  63 and name   HN)  3.56  1.86  2.16
assign (resid 121 and name   HN) (resid  63 and name  HE1)  2.79  1.09  1.39
assign (resid  51 and name  HB*) (resid  85 and name  HE*)  3.48  1.78  2.07
assign (resid  51 and name  HB*) (resid  85 and name  HE*)  3.35  1.66  1.95
assign (resid  19 and name   HA) (resid 126 and name   HA)  2.56  0.86  1.17
assign (resid  19 and name   HA) (resid  11 and name  HZ3)  2.77  1.07  1.38
assign (resid  19 and name HD1*) (resid 126 and name   HA)  3.32  1.62  1.92
assign (resid  19 and name HD1*) (resid  53 and name  HD*)  3.42  1.72  2.01
assign (resid  19 and name HD1*) (resid  53 and name  HE*)  3.33  1.64  1.93
assign (resid  19 and name HG2*) (resid 126 and name   HA)  3.25  1.55  1.85
assign (resid  19 and name HG2*) (resid  53 and name  HE*)  3.47  1.77  2.07
assign (resid  45 and name   HB) (resid  85 and name  HE*)  3.10  1.40  1.70
assign (resid  45 and name   HB) (resid  47 and name   HN)  2.81  1.11  1.42
assign (resid  45 and name HG1*) (resid  85 and name  HE*)  3.77  2.07  2.37
assign (resid  54 and name   HA) (resid  53 and name  HD*)  3.17  1.47  1.77
assign (resid  54 and name   HN) (resid  53 and name  HD*)  3.37  1.67  1.97
assign (resid  64 and name HG2*) (resid  77 and name  HH2)  3.00  1.30  1.60
assign (resid  64 and name HG2*) (resid  77 and name  HZ2)  3.73  2.04  2.33
assign (resid  64 and name HG2*) (resid  77 and name  HZ3)  3.16  1.46  1.76
assign (resid  64 and name   HN) (resid  63 and name  HE3)  2.85  1.16  1.45
assign (resid 115 and name   HA) (resid 115 and name   HN)  3.03  1.33  1.63
assign (resid 115 and name  HB*) (resid 115 and name   HA)  2.82  1.12  1.42
assign (resid 115 and name  HB*) (resid 115 and name   HN)  3.04  1.34  1.64
assign (resid 115 and name  HB*) (resid  63 and name  HZ3)  2.92  1.22  1.52
assign (resid 115 and name  HB*) (resid 115 and name   HA)  2.83  1.14  1.44
assign (resid 115 and name  HB*) (resid 115 and name   HN)  2.95  1.25  1.55
assign (resid 115 and name  HB*) (resid  63 and name  HE3)  3.23  1.53  1.83
assign (resid 115 and name  HB*) (resid  63 and name  HH2)  2.83  1.13  1.43
assign (resid 115 and name  HB*) (resid  63 and name  HZ2)  3.16  1.46  1.76
assign (resid 115 and name  HB*) (resid  63 and name  HZ3)  2.86  1.16  1.46
assign (resid 115 and name  HD*) (resid 115 and name   HN)  3.45  1.75  2.04
assign (resid 115 and name  HD*) (resid 115 and name   HA)  2.56  0.86  1.17
assign (resid 115 and name  HD*) (resid 115 and name   HA)  3.22  1.52  1.82
assign (resid 115 and name  HD*) (resid 115 and name   HN)  3.54  1.84  2.14
assign (resid  30 and name   HA) (resid  34 and name   HN)  3.15  1.45  1.75
assign (resid  30 and name   HA) (resid  33 and name   HB)  2.65  0.95  1.25
assign (resid  38 and name  HD*) (resid  35 and name   HA)  3.29  1.59  1.89
assign (resid  38 and name  HD*) (resid  20 and name  HD*)  3.48  1.78  2.08
assign (resid  38 and name  HD*) (resid  20 and name  HE*)  3.30  1.60  1.90
assign (resid  42 and name   HA) (resid 125 and name   HA)  2.56  0.86  1.17
assign (resid  42 and name   HA) (resid 124 and name   HN)  3.14  1.44  1.74
assign (resid  42 and name  HD*) (resid  32 and name   HN)  2.95  1.25  1.55
assign (resid  42 and name  HD*) (resid  65 and name   HN)  3.44  1.74  2.03
assign (resid  42 and name  HD*) (resid  28 and name  HD1)  2.98  1.28  1.57
assign (resid  42 and name  HD*) (resid  28 and name  HE1)  2.81  1.11  1.41
assign (resid  42 and name  HD*) (resid  28 and name  HZ2)  3.00  1.30  1.60
assign (resid  57 and name  HD*) (resid  53 and name  HE*)  3.35  1.65  1.95
assign (resid  97 and name   HA) (resid  69 and name   HA)  2.56  0.86  1.17
assign (resid 104 and name   HA) (resid 113 and name   HN)  2.98  1.28  1.58
assign (resid 104 and name   HA) (resid 112 and name   HA)  2.56  0.86  1.17
assign (resid 127 and name  HG*) (resid  20 and name  HD*)  3.33  1.64  1.93
assign (resid  26 and name  HG*) (resid 123 and name   HN)  2.81  1.11  1.41
assign (resid 103 and name   HA) (resid  63 and name   HA)  2.56  0.86  1.17
assign (resid 103 and name   HA) (resid  63 and name  HE3)  2.54  0.84  1.14
assign (resid 103 and name  HB*) (resid  63 and name  HE3)  2.54  0.84  1.14
assign (resid 103 and name  HB*) (resid  63 and name  HZ3)  2.73  1.03  1.32
assign (resid  12 and name   HA) (resid  20 and name  HD*)  3.22  1.52  1.82
assign (resid  55 and name  HB*) (resid  52 and name   HA)  2.69  0.99  1.30
assign (resid  55 and name  HB*) (resid  52 and name   HA)  2.84  1.14  1.44
assign (resid  17 and name   HA) (resid 129 and name  HD*)  3.47  1.77  2.07
assign (resid  17 and name   HA) (resid 129 and name  HE*)  3.58  1.88  2.18
assign (resid  86 and name  HB*) (resid  88 and name  HD1)  2.40  0.70  0.99
assign (resid  86 and name  HB*) (resid  88 and name  HE1)  3.08  1.38  1.68
assign (resid 120 and name   HA) (resid  27 and name   HA)  2.56  0.86  1.17
assign (resid 123 and name   HA) (resid  63 and name   HN)  2.73  1.03  1.32
assign (resid  67 and name   HA) (resid  75 and name  HH2)  3.33  1.63  1.93
assign (resid  67 and name   HA) (resid  75 and name  HZ3)  2.70  1.00  1.30
assign (resid 128 and name   HA) (resid  17 and name   HA)  2.56  0.86  1.17
assign (resid  23 and name HG2*) (resid  21 and name  HD*)  3.25  1.55  1.84
assign (resid  23 and name HG2*) (resid  21 and name  HE*)  3.34  1.64  1.94
assign (resid  27 and name HG2*) (resid  28 and name  HB*)  3.04  1.34  1.64
assign (resid  27 and name HG2*) (resid  28 and name  HD1)  2.99  1.29  1.59
assign (resid 124 and name   HA) (resid  21 and name  HD*)  3.45  1.75  2.04
assign (resid 124 and name   HB) (resid  63 and name   HN)  2.89  1.19  1.49
assign (resid  61 and name  HG*) (resid 105 and name   HA)  2.92  1.22  1.51
assign (resid  61 and name  HG*) (resid 104 and name   HA)  3.32  1.62  1.92
assign (resid  61 and name  HG*) (resid 103 and name  HB*)  3.65  1.95  2.24
assign (resid  61 and name  HG*) (resid 103 and name  HB*)  3.52  1.82  2.12
assign (resid  11 and name  HB*) (resid  11 and name  HD1)  2.83  1.13  1.43
assign (resid  11 and name  HB*) (resid  11 and name  HE3)  2.75  1.05  1.35
assign (resid  11 and name  HB*) (resid  11 and name  HD1)  2.91  1.21  1.51
assign (resid  11 and name  HB*) (resid  11 and name  HE3)  2.42  0.72  1.01
assign (resid  11 and name  HD1) (resid  11 and name  HE1)  2.36  0.66  0.96
assign (resid  11 and name  HH2) (resid  11 and name  HZ2)  2.40  0.70  1.01
assign (resid  11 and name  HH2) (resid  11 and name  HZ3)  2.56  0.86  1.17
assign (resid  11 and name  HZ2) (resid  11 and name  HE1)  2.57  0.87  1.17
assign (resid  11 and name  HZ3) (resid  11 and name  HE3)  2.49  0.79  1.09
assign (resid 112 and name  HB*) (resid 112 and name  HD1)  2.61  0.91  1.21
assign (resid 112 and name  HB*) (resid 112 and name   HA)  2.60  0.91  1.20
assign (resid 112 and name  HB*) (resid 112 and name  HD1)  2.59  0.89  1.19
assign (resid 112 and name  HD1) (resid 112 and name  HE1)  2.61  0.91  1.21
assign (resid 112 and name  HH2) (resid 112 and name  HE3)  2.90  1.20  1.49
assign (resid 112 and name  HZ2) (resid 112 and name  HE1)  2.81  1.11  1.41
assign (resid 112 and name  HZ3) (resid 112 and name  HE3)  2.46  0.76  1.07
assign (resid 112 and name  HZ3) (resid 112 and name  HH2)  2.56  0.86  1.17
assign (resid  28 and name  HB*) (resid  63 and name  HE1)  3.44  1.74  2.04
assign (resid  28 and name  HD1) (resid  28 and name  HE1)  2.58  0.88  1.18
assign (resid  28 and name  HD1) (resid  63 and name  HE3)  2.75  1.05  1.34
assign (resid  28 and name   HN) (resid  63 and name  HE1)  3.10  1.41  1.70
assign (resid  28 and name   HN) (resid  63 and name  HZ2)  3.26  1.56  1.86
assign (resid  28 and name  HZ2) (resid  28 and name  HE1)  2.86  1.16  1.46
assign (resid  63 and name   HA) (resid  28 and name  HD1)  2.96  1.26  1.56
assign (resid  63 and name   HA) (resid  63 and name  HE3)  2.56  0.86  1.16
assign (resid  63 and name   HA) (resid  63 and name  HZ3)  3.25  1.55  1.84
assign (resid  63 and name  HB*) (resid  28 and name  HD1)  2.71  1.01  1.30
assign (resid  63 and name  HB*) (resid  63 and name   HA)  3.02  1.32  1.62
assign (resid  63 and name  HB*) (resid  63 and name  HD1)  2.88  1.18  1.48
assign (resid  63 and name  HB*) (resid  63 and name  HE3)  3.06  1.36  1.66
assign (resid  63 and name  HB*) (resid  28 and name  HD1)  2.81  1.11  1.41
assign (resid  63 and name  HB*) (resid  63 and name  HD1)  2.75  1.05  1.36
assign (resid  63 and name  HB*) (resid  63 and name  HE3)  3.36  1.66  1.96
assign (resid  63 and name  HD1) (resid  63 and name  HE1)  2.56  0.86  1.16
assign (resid  63 and name  HH2) (resid  63 and name  HE3)  3.33  1.63  1.93
assign (resid  63 and name  HH2) (resid  63 and name  HZ2)  2.58  0.88  1.18
assign (resid  63 and name  HZ2) (resid  63 and name  HE1)  2.69  0.99  1.29
assign (resid  63 and name  HZ3) (resid 115 and name   HN)  3.38  1.68  1.98
assign (resid  63 and name  HZ3) (resid  63 and name  HE3)  2.65  0.95  1.26
assign (resid  63 and name  HZ3) (resid  63 and name  HH2)  2.56  0.86  1.17
assign (resid  63 and name  HZ3) (resid  63 and name  HZ2)  3.29  1.59  1.89
assign (resid  75 and name  HB*) (resid  75 and name  HD1)  2.38  0.68  0.97
assign (resid  75 and name  HB*) (resid  75 and name  HD1)  2.49  0.79  1.09
assign (resid  75 and name  HB*) (resid  75 and name  HE3)  2.35  0.65  0.95
assign (resid  75 and name  HD1) (resid  75 and name  HE1)  2.42  0.72  1.01
assign (resid  75 and name  HD1) (resid  75 and name   HN)  2.69  0.99  1.29
assign (resid  75 and name  HE3) (resid  67 and name   HN)  2.84  1.14  1.44
assign (resid  75 and name  HH2) (resid  75 and name  HZ2)  2.06  0.36  0.67
assign (resid  75 and name  HH2) (resid  75 and name  HZ2)  2.06  0.36  0.67
assign (resid  75 and name  HZ2) (resid  75 and name  HE1)  2.75  1.05  1.35
assign (resid  75 and name  HZ3) (resid  68 and name   HN)  3.06  1.36  1.66
assign (resid  75 and name  HZ3) (resid  75 and name  HE3)  2.44  0.74  1.04
assign (resid  75 and name  HZ3) (resid  75 and name  HH2)  2.56  0.86  1.17
assign (resid  77 and name   HA) (resid  77 and name  HE3)  2.54  0.84  1.14
assign (resid  77 and name  HB*) (resid  77 and name   HA)  2.85  1.16  1.45
assign (resid  77 and name  HB*) (resid  77 and name  HD1)  2.84  1.14  1.44
assign (resid  77 and name  HB*) (resid  77 and name   HA)  3.00  1.30  1.60
assign (resid  77 and name  HB*) (resid  77 and name  HD1)  2.65  0.95  1.25
assign (resid  77 and name  HE3) (resid  78 and name   HN)  3.01  1.31  1.61
assign (resid  77 and name  HH2) (resid  77 and name  HZ2)  2.07  0.37  0.67
assign (resid  77 and name  HH2) (resid  77 and name  HZ3)  2.56  0.86  1.17
assign (resid  77 and name  HZ3) (resid  65 and name   HN)  2.91  1.21  1.51
assign (resid  77 and name  HZ3) (resid  66 and name   HN)  2.86  1.16  1.46
assign (resid  77 and name  HZ3) (resid  77 and name  HE3)  2.40  0.70  1.01
assign (resid  88 and name  HB*) (resid  88 and name  HD1)  2.65  0.95  1.26
assign (resid  88 and name  HB*) (resid  88 and name  HE3)  3.04  1.34  1.64
assign (resid  88 and name  HD1) (resid  88 and name  HE1)  2.63  0.93  1.24
assign (resid  88 and name  HH2) (resid  88 and name  HE3)  2.98  1.28  1.58
assign (resid  88 and name   HN) (resid  88 and name  HD1)  2.66  0.96  1.26
assign (resid  20 and name   HA) (resid  20 and name  HD*)  2.93  1.23  1.53
assign (resid  20 and name  HB*) (resid  20 and name  HD*)  2.81  1.11  1.41
assign (resid  20 and name  HB*) (resid 125 and name  HB*)  2.67  0.97  1.26
assign (resid  20 and name  HB*) (resid  20 and name  HD*)  2.80  1.10  1.40
assign (resid  20 and name  HB*) (resid  20 and name  HE*)  3.48  1.78  2.07
assign (resid  20 and name  HD*) (resid  20 and name  HE*)  2.62  0.92  1.22
assign (resid  21 and name   HA) (resid 124 and name   HA)  2.56  0.86  1.17
assign (resid  21 and name   HA) (resid  21 and name  HD*)  2.40  0.70  0.99
assign (resid  21 and name  HB*) (resid  21 and name  HD*)  2.41  0.71  1.01
assign (resid  21 and name  HB*) (resid  21 and name  HD*)  2.48  0.78  1.07
assign (resid  21 and name  HE*) (resid  21 and name  HD*)  2.30  0.60  0.90
! Table of NOE's which overlap
! with other peaks. HN,HN long rnge in anti-parallel b-sheet to 3.3
! HA,HN (i,i+3) in a-helix to 2.7 upper bound +0.3, lower bound to 1.7 
assign (resid  22 and name   HN) (resid 123 and name   HN)  3.30  1.60  0.30
assign (resid  76 and name   HN) (resid  67 and name   HN)  3.30  1.60  0.30
assign (resid  48 and name   HA) (resid  51 and name   HN)  2.70  1.00  0.30
assign (resid  49 and name   HA) (resid  52 and name   HN)  2.70  1.00  0.30
assign (resid  50 and name   HA) (resid  53 and name   HN)  2.70  1.00  0.30

  Entry H atom name         Submitted Coord H atom name

  Start of MODEL    1
    1   1H    GLN   1          2HT       GLN   1 -31.617   2.877   2.877
    2   2H    GLN   1          1HT       GLN   1 -32.654   2.889   2.889
    3   3H    GLN   1          3HT       GLN   1 -31.414   1.736   1.736
    4    HA   GLN   1           HA       GLN   1 -30.570   3.286   3.286
    5   1HB   GLN   1          2HB       GLN   1 -32.064   5.170   5.170
    6   2HB   GLN   1          1HB       GLN   1 -30.611   5.791   5.791
    7   1HG   GLN   1          2HG       GLN   1 -32.239   6.232   6.232
    8   2HG   GLN   1          1HG       GLN   1 -31.631   4.664   4.664
    9    H    ARG   2           H        ARG   2 -28.573   2.494   2.494
   10    HA   ARG   2           HA       ARG   2 -27.006   3.919   3.919
   11   1HB   ARG   2          2HB       ARG   2 -25.954   1.735   1.735
   12   2HB   ARG   2          1HB       ARG   2 -27.629   1.941   1.941
   13   1HG   ARG   2          2HG       ARG   2 -27.250   0.677   0.677
   14   2HG   ARG   2          1HG       ARG   2 -26.722  -0.281  -0.281
   15   1HD   ARG   2          2HD       ARG   2 -29.019   0.369   0.369
   16   2HD   ARG   2          1HD       ARG   2 -29.472   0.777   0.777
   17    HE   ARG   2           HE       ARG   2 -28.821  -1.619  -1.619
   18   1HH1  ARG   2          1HH2      ARG   2 -28.057  -2.017  -2.017
   19   2HH1  ARG   2          2HH2      ARG   2 -29.416  -2.942  -2.942
   20   1HH2  ARG   2          1HH1      ARG   2 -31.360  -2.215  -2.215
   21   2HH2  ARG   2          2HH1      ARG   2 -31.286  -3.055  -3.055
   22    H    ALA   3           H        ALA   3 -26.218   4.922   4.922
   23    HA   ALA   3           HA       ALA   3 -24.724   3.304   3.304
   24   1HB   ALA   3          3HB       ALA   3 -25.963   5.519   5.519
   25   2HB   ALA   3          2HB       ALA   3 -24.554   6.301   6.301
   26   3HB   ALA   3          1HB       ALA   3 -24.366   5.287   5.287
   27    H    GLY   4           H        GLY   4 -22.750   2.579   2.579
   28   1HA   GLY   4          2HA       GLY   4 -20.508   4.027   4.027
   29   2HA   GLY   4          1HA       GLY   4 -21.159   3.539   3.539
   30    HA   PRO   5           HA       PRO   5 -19.840  -0.479  -0.479
   31   1HB   PRO   5          2HB       PRO   5 -18.276  -0.216  -0.216
   32   2HB   PRO   5          1HB       PRO   5 -20.044  -0.285  -0.285
   33   1HG   PRO   5          2HG       PRO   5 -18.248   2.026   2.026
   34   2HG   PRO   5          1HG       PRO   5 -19.899   1.765   1.765
   35   1HD   PRO   5          2HD       PRO   5 -19.103   3.379   3.379
   36   2HD   PRO   5          1HD       PRO   5 -20.766   2.948   2.948
   37    H    ASN   6           H        ASN   6 -17.216   1.751   1.751
   38    HA   ASN   6           HA       ASN   6 -15.554   0.977   0.977
   39   1HB   ASN   6          2HB       ASN   6 -15.015  -0.052  -0.052
   40   2HB   ASN   6          1HB       ASN   6 -13.689   0.251   0.251
   41   1HD2  ASN   6          1HD2      ASN   6 -15.359  -2.285  -2.285
   42   2HD2  ASN   6          2HD2      ASN   6 -15.503  -3.212  -3.212
   43    H    CYS   7           H        CYS   7 -14.871   2.035   2.035
   44    HA   CYS   7           HA       CYS   7 -13.471   4.382   4.382
   45   1HB   CYS   7          2HB       CYS   7 -13.315   2.773   2.773
   46   2HB   CYS   7          1HB       CYS   7 -13.191   4.509   4.509
   47    HA   PRO   8           HA       PRO   8 -16.621   7.191   7.191
   48   1HB   PRO   8          2HB       PRO   8 -15.210   9.328   9.328
   49   2HB   PRO   8          1HB       PRO   8 -15.312   8.900   8.900
   50   1HG   PRO   8          2HG       PRO   8 -13.051   8.585   8.585
   51   2HG   PRO   8          1HG       PRO   8 -13.037   8.754   8.754
   52   1HD   PRO   8          2HD       PRO   8 -12.723   6.342   6.342
   53   2HD   PRO   8          1HD       PRO   8 -12.961   6.491   6.491
   54    H    ALA   9           H        ALA   9 -14.126   7.618   7.618
   55    HA   ALA   9           HA       ALA   9 -15.633   6.485   6.485
   56   1HB   ALA   9          1HB       ALA   9 -15.978   9.426   9.426
   57   2HB   ALA   9          3HB       ALA   9 -15.961   8.807   8.807
   58   3HB   ALA   9          2HB       ALA   9 -17.171   8.229   8.229
   59    H    GLY  10           H        GLY  10 -14.627   6.807   6.807
   60   1HA   GLY  10          2HA       GLY  10 -12.788   6.946   6.946
   61   2HA   GLY  10          1HA       GLY  10 -12.299   8.342   8.342
   62    H    TRP  11           H        TRP  11 -12.770   5.033   5.033
   63    HA   TRP  11           HA       TRP  11  -9.881   4.631   4.631
   64   1HB   TRP  11          2HB       TRP  11 -11.677   5.218   5.218
   65   2HB   TRP  11          1HB       TRP  11 -10.650   3.805   3.805
   66    HD1  TRP  11           HD       TRP  11 -10.601   7.501   7.501
   67    HE1  TRP  11          1HE       TRP  11  -8.190   8.363   8.363
   68    HE3  TRP  11          3HE       TRP  11  -7.997   3.208   3.208
   69    HZ2  TRP  11          2HZ       TRP  11  -5.514   7.364   7.364
   70    HZ3  TRP  11          3HZ       TRP  11  -5.518   3.190   3.190
   71    HH2  TRP  11           HH       TRP  11  -4.276   5.264   5.264
   72    H    GLN  12           H        GLN  12  -9.797   2.366   2.366
   73    HA   GLN  12           HA       GLN  12 -11.712   0.529   0.529
   74   1HB   GLN  12          2HB       GLN  12  -8.828   0.676   0.676
   75   2HB   GLN  12          1HB       GLN  12  -9.361  -0.930  -0.930
   76   1HG   GLN  12          2HG       GLN  12 -10.616  -1.251  -1.251
   77   2HG   GLN  12          1HG       GLN  12 -10.982   0.466   0.466
   78    HA   PRO  13           HA       PRO  13 -11.380  -0.596  -0.596
   79   1HB   PRO  13          2HB       PRO  13 -14.052  -0.986  -0.986
   80   2HB   PRO  13          1HB       PRO  13 -13.265   0.596   0.596
   81   1HG   PRO  13          2HG       PRO  13 -15.060  -0.473  -0.473
   82   2HG   PRO  13          1HG       PRO  13 -14.690   1.206   1.206
   83   1HD   PRO  13          2HD       PRO  13 -13.628  -0.317  -0.317
   84   2HD   PRO  13          1HD       PRO  13 -13.175   1.333   1.333
   85    H    LEU  14           H        LEU  14 -10.533  -2.498  -2.498
   86    HA   LEU  14           HA       LEU  14 -12.183  -4.756  -4.756
   87   1HB   LEU  14          2HB       LEU  14  -9.812  -4.217  -4.217
   88   2HB   LEU  14          1HB       LEU  14  -9.235  -5.025  -5.025
   89    HG   LEU  14           HG       LEU  14 -11.060  -6.834  -6.834
   90   1HD1  LEU  14          3HD1      LEU  14 -10.504  -5.162  -5.162
   91   2HD1  LEU  14          2HD1      LEU  14 -10.558  -6.910  -6.910
   92   3HD1  LEU  14          1HD1      LEU  14 -11.958  -6.064  -6.064
   93   1HD2  LEU  14          1HD2      LEU  14  -8.304  -6.556  -6.556
   94   2HD2  LEU  14          3HD2      LEU  14  -8.649  -7.248  -7.248
   95   3HD2  LEU  14          2HD2      LEU  14  -9.223  -8.057  -8.057
   96    H    GLY  15           H        GLY  15 -13.140  -5.945  -5.945
   97   1HA   GLY  15          2HA       GLY  15 -13.249  -7.420  -7.420
   98   2HA   GLY  15          1HA       GLY  15 -11.616  -6.945  -6.945
   99    H    ASP  16           H        ASP  16 -11.290  -5.135  -5.135
  100    HA   ASP  16           HA       ASP  16 -13.691  -3.839  -3.839
  101   1HB   ASP  16          2HB       ASP  16 -11.465  -5.186  -5.186
  102   2HB   ASP  16          1HB       ASP  16 -12.528  -3.980  -3.980
  103    H    ARG  17           H        ARG  17 -10.131  -3.888  -3.888
  104    HA   ARG  17           HA       ARG  17  -9.888  -1.090  -1.090
  105   1HB   ARG  17          2HB       ARG  17  -7.817  -2.917  -2.917
  106   2HB   ARG  17          1HB       ARG  17  -7.511  -1.398  -1.398
  107   1HG   ARG  17          2HG       ARG  17  -8.160  -2.317  -2.317
  108   2HG   ARG  17          1HG       ARG  17  -8.868  -3.743  -3.743
  109   1HD   ARG  17          2HD       ARG  17  -5.936  -3.073  -3.073
  110   2HD   ARG  17          1HD       ARG  17  -6.556  -4.045  -4.045
  111    HE   ARG  17           HE       ARG  17  -7.038  -4.851  -4.851
  112   1HH1  ARG  17          1HH2      ARG  17  -4.693  -5.291  -5.291
  113   2HH1  ARG  17          2HH2      ARG  17  -4.838  -7.014  -7.014
  114   1HH2  ARG  17          1HH1      ARG  17  -7.715  -7.158  -7.158
  115   2HH2  ARG  17          2HH1      ARG  17  -6.548  -8.072  -8.072
  116    H    CYS  18           H        CYS  18  -7.975  -0.292  -0.292
  117    HA   CYS  18           HA       CYS  18  -9.446  -0.403  -0.403
  118   1HB   CYS  18          2HB       CYS  18  -8.657   2.078   2.078
  119   2HB   CYS  18          1HB       CYS  18  -8.894   2.103   2.103
  120    H    ILE  19           H        ILE  19  -8.117  -0.721  -0.721
  121    HA   ILE  19           HA       ILE  19  -5.325   0.098   0.098
  122    HB   ILE  19           HB       ILE  19  -5.371  -2.220  -2.220
  123   1HD1  ILE  19          1HD1      ILE  19  -3.350  -3.501  -3.501
  124   2HD1  ILE  19          3HD1      ILE  19  -4.016  -4.279  -4.279
  125   3HD1  ILE  19          2HD1      ILE  19  -2.432  -3.509  -3.509
  126    H    TYR  20           H        TYR  20  -4.159  -0.003  -0.003
  127    HA   TYR  20           HA       TYR  20  -5.946   0.117   0.117
  128   1HB   TYR  20          2HB       TYR  20  -4.532   2.281   2.281
  129   2HB   TYR  20          1HB       TYR  20  -3.754   1.939   1.939
  130    HD1  TYR  20          2HD       TYR  20  -7.295   2.025   2.025
  131    HD2  TYR  20          1HD       TYR  20  -4.560   3.136   3.136
  132    HE1  TYR  20          2HE       TYR  20  -9.130   3.149   3.149
  133    HE2  TYR  20          1HE       TYR  20  -6.409   4.258   4.258
  134    HH   TYR  20           HH       TYR  20  -8.959   5.311   5.311
  135    H    TYR  21           H        TYR  21  -4.694   0.024   0.024
  136    HA   TYR  21           HA       TYR  21  -2.064  -1.166  -1.166
  137   1HB   TYR  21          2HB       TYR  21  -3.813  -3.022  -3.022
  138   2HB   TYR  21          1HB       TYR  21  -4.219  -2.926  -2.926
  139    HD1  TYR  21          2HD       TYR  21  -2.513  -3.460  -3.460
  140    HD2  TYR  21          1HD       TYR  21  -1.711  -3.942  -3.942
  141    HE1  TYR  21          2HE       TYR  21  -0.555  -4.879  -4.879
  142    HE2  TYR  21          1HE       TYR  21   0.248  -5.363  -5.363
  143    HH   TYR  21           HH       TYR  21   0.827  -6.560  -6.560
  144    H    GLU  22           H        GLU  22  -1.183  -1.388  -1.388
  145    HA   GLU  22           HA       GLU  22  -2.864  -0.399  -0.399
  146   1HB   GLU  22          2HB       GLU  22  -1.171   1.323   1.323
  147   2HB   GLU  22          1HB       GLU  22  -0.113   0.682   0.682
  148   1HG   GLU  22          2HG       GLU  22  -1.263   1.710   1.710
  149   2HG   GLU  22          1HG       GLU  22  -2.829   1.368   1.368
  150    H    THR  23           H        THR  23  -1.086  -0.285  -0.285
  151    HA   THR  23           HA       THR  23   0.397  -2.828  -2.828
  152    HB   THR  23           HB       THR  23  -0.565  -3.170  -3.170
  153    HG1  THR  23          1HG       THR  23  -2.601  -1.572  -1.572
  154    H    THR  24           H        THR  24  -0.427   0.138   0.138
  155    HA   THR  24           HA       THR  24   1.686   0.111   0.111
  156    HB   THR  24           HB       THR  24  -0.097   1.704   1.704
  157    HG1  THR  24          1HG       THR  24   2.186   3.184   3.184
  158    H    ALA  25           H        ALA  25   3.802   0.568   0.568
  159    HA   ALA  25           HA       ALA  25   5.171   0.553   0.553
  160   1HB   ALA  25          1HB       ALA  25   5.837   0.738   0.738
  161   2HB   ALA  25          3HB       ALA  25   6.860   1.821   1.821
  162   3HB   ALA  25          2HB       ALA  25   6.799   0.103   0.103
  163    H    MET  26           H        MET  26   5.013   2.033   2.033
  164    HA   MET  26           HA       MET  26   5.641   4.816   4.816
  165   1HB   MET  26          2HB       MET  26   3.814   5.588   5.588
  166   2HB   MET  26          1HB       MET  26   3.262   4.986   4.986
  167   1HG   MET  26          2HG       MET  26   3.012   2.703   2.703
  168   2HG   MET  26          1HG       MET  26   3.113   3.639   3.639
  169   1HE   MET  26          3HE       MET  26   2.195   5.897   5.897
  170   2HE   MET  26          2HE       MET  26   1.076   6.523   6.523
  171   3HE   MET  26          1HE       MET  26   0.453   5.879   5.879
  172    H    THR  27           H        THR  27   7.427   4.928   4.928
  173    HA   THR  27           HA       THR  27   7.840   3.520   3.520
  174    HB   THR  27           HB       THR  27   9.392   4.916   4.916
  175    HG1  THR  27          1HG       THR  27  11.047   3.667   3.667
  176    H    TRP  28           H        TRP  28   8.862   4.734   4.734
  177    HA   TRP  28           HA       TRP  28   7.352   5.853   5.853
  178   1HB   TRP  28          2HB       TRP  28  10.088   5.874   5.874
  179   2HB   TRP  28          1HB       TRP  28   9.701   7.540   7.540
  180    HD1  TRP  28           HD       TRP  28  10.336   4.180   4.180
  181    HE1  TRP  28          1HE       TRP  28  10.080   4.174   4.174
  182    HE3  TRP  28          3HE       TRP  28   8.166   8.742   8.742
  183    HZ2  TRP  28          2HZ       TRP  28   9.086   5.901   5.901
  184    HZ3  TRP  28          3HZ       TRP  28   7.580   9.544   9.544
  185    HH2  TRP  28           HH       TRP  28   8.036   8.131   8.131
  186    H    ALA  29           H        ALA  29   8.969   7.964   7.964
  187    HA   ALA  29           HA       ALA  29   7.764  10.371  10.371
  188   1HB   ALA  29          2HB       ALA  29   9.715   9.875   9.875
  189   2HB   ALA  29          1HB       ALA  29   8.422   9.831   9.831
  190   3HB   ALA  29          3HB       ALA  29   8.691  11.290  11.290
  191    H    LEU  30           H        LEU  30   6.835   8.178   8.178
  192    HA   LEU  30           HA       LEU  30   4.476   9.676   9.676
  193   1HB   LEU  30          2HB       LEU  30   5.475   6.945   6.945
  194   2HB   LEU  30          1HB       LEU  30   3.874   7.511   7.511
  195    HG   LEU  30           HG       LEU  30   6.436   9.042   9.042
  196   1HD1  LEU  30          3HD1      LEU  30   6.064   6.746   6.746
  197   2HD1  LEU  30          2HD1      LEU  30   4.814   7.607   7.607
  198   3HD1  LEU  30          1HD1      LEU  30   6.490   8.151   8.151
  199   1HD2  LEU  30          3HD2      LEU  30   3.524   9.450   9.450
  200   2HD2  LEU  30          2HD2      LEU  30   4.760  10.634  10.634
  201   3HD2  LEU  30          1HD2      LEU  30   4.680   9.993   9.993
  202    H    ALA  31           H        ALA  31   5.072   6.695   6.695
  203    HA   ALA  31           HA       ALA  31   2.340   6.142   6.142
  204   1HB   ALA  31          1HB       ALA  31   4.108   4.434   4.434
  205   2HB   ALA  31          3HB       ALA  31   4.801   5.307   5.307
  206   3HB   ALA  31          2HB       ALA  31   3.195   4.588   4.588
  207    H    GLU  32           H        GLU  32   4.843   7.137   7.137
  208    HA   GLU  32           HA       GLU  32   3.313   7.794   7.794
  209   1HB   GLU  32          2HB       GLU  32   5.816   7.929   7.929
  210   2HB   GLU  32          1HB       GLU  32   5.629   9.507   9.507
  211   1HG   GLU  32          2HG       GLU  32   5.845  10.123  10.123
  212   2HG   GLU  32          1HG       GLU  32   4.091  10.006  10.006
  213    H    THR  33           H        THR  33   4.016  10.032  10.032
  214    HA   THR  33           HA       THR  33   2.687  12.274  12.274
  215    HB   THR  33           HB       THR  33   2.975  11.481  11.481
  216    HG1  THR  33          1HG       THR  33   4.590  12.978  12.978
  217    H    ASN  34           H        ASN  34   1.444   9.911   9.911
  218    HA   ASN  34           HA       ASN  34  -1.212  10.874  10.874
  219   1HB   ASN  34          2HB       ASN  34   0.052   8.264   8.264
  220   2HB   ASN  34          1HB       ASN  34  -1.704   8.439   8.439
  221   1HD2  ASN  34          1HD2      ASN  34  -2.169  10.950  10.950
  222   2HD2  ASN  34          2HD2      ASN  34  -1.487  11.148  11.148
  223    H    CYS  35           H        CYS  35   0.449   8.439   8.439
  224    HA   CYS  35           HA       CYS  35  -1.812   7.394   7.394
  225   1HB   CYS  35          2HB       CYS  35   0.499   6.368   6.368
  226   2HB   CYS  35          1HB       CYS  35   0.994   7.575   7.575
  227    H    MET  36           H        MET  36   0.402  10.051  10.051
  228    HA   MET  36           HA       MET  36  -0.497  10.647  10.647
  229   1HB   MET  36          2HB       MET  36   0.912  12.174  12.174
  230   2HB   MET  36          1HB       MET  36   0.236  13.076  13.076
  231   1HG   MET  36          2HG       MET  36   1.416  11.406  11.406
  232   2HG   MET  36          1HG       MET  36   2.276  10.845  10.845
  233   1HE   MET  36          1HE       MET  36   3.815  11.363  11.363
  234   2HE   MET  36          3HE       MET  36   4.937  11.756  11.756
  235   3HE   MET  36          2HE       MET  36   4.781  12.834  12.834
  236    H    LYS  37           H        LYS  37  -1.541  11.934  11.934
  237    HA   LYS  37           HA       LYS  37  -3.459  13.753  13.753
  238   1HB   LYS  37          2HB       LYS  37  -2.902  12.413  12.413
  239   2HB   LYS  37          1HB       LYS  37  -4.544  13.018  13.018
  240   1HG   LYS  37          2HG       LYS  37  -3.339  14.838  14.838
  241   2HG   LYS  37          1HG       LYS  37  -3.462  15.213  15.213
  242   1HD   LYS  37          2HD       LYS  37  -1.162  13.795  13.795
  243   2HD   LYS  37          1HD       LYS  37  -1.077  14.466  14.466
  244   1HE   LYS  37          2HE       LYS  37  -1.458  16.735  16.735
  245   2HE   LYS  37          1HE       LYS  37  -1.466  16.046  16.046
  246   1HZ   LYS  37          1HZ       LYS  37   0.797  15.746  15.746
  247   2HZ   LYS  37          3HZ       LYS  37   0.707  16.981  16.981
  248   3HZ   LYS  37          2HZ       LYS  37   0.772  15.357  15.357
  249    H    LEU  38           H        LEU  38  -3.574  10.286  10.286
  250    HA   LEU  38           HA       LEU  38  -6.419  10.029  10.029
  251   1HB   LEU  38          2HB       LEU  38  -4.399   8.325   8.325
  252   2HB   LEU  38          1HB       LEU  38  -4.785   7.749   7.749
  253    HG   LEU  38           HG       LEU  38  -7.196   7.644   7.644
  254   1HD1  LEU  38          3HD1      LEU  38  -6.001   8.640   8.640
  255   2HD1  LEU  38          2HD1      LEU  38  -7.416   7.588   7.588
  256   3HD1  LEU  38          1HD1      LEU  38  -7.497   9.126   9.126
  257   1HD2  LEU  38          1HD2      LEU  38  -5.028   6.043   6.043
  258   2HD2  LEU  38          3HD2      LEU  38  -6.291   5.527   5.527
  259   3HD2  LEU  38          2HD2      LEU  38  -6.674   5.793   5.793
  260    H    GLY  39           H        GLY  39  -3.783   9.453   9.453
  261   1HA   GLY  39          2HA       GLY  39  -4.184  10.469  10.469
  262   2HA   GLY  39          1HA       GLY  39  -5.774   9.715   9.715
  263    H    GLY  40           H        GLY  40  -2.305   9.056   9.056
  264   1HA   GLY  40          2HA       GLY  40  -2.317   7.103   7.103
  265   2HA   GLY  40          1HA       GLY  40  -2.607   6.227   6.227
  266    H    HIS  41           H        HIS  41  -0.730   5.211   5.211
  267    HA   HIS  41           HA       HIS  41   1.495   6.582   6.582
  268   1HB   HIS  41          2HB       HIS  41   3.166   6.065   6.065
  269   2HB   HIS  41          1HB       HIS  41   1.987   7.284   7.284
  270    HD1  HIS  41          1HD       HIS  41   2.697   3.577   3.577
  271    HD2  HIS  41          2HD       HIS  41   0.448   6.591   6.591
  272    HE1  HIS  41          1HE       HIS  41   1.737   2.584   2.584
  273    H    LEU  42           H        LEU  42   3.549   4.922   4.922
  274    HA   LEU  42           HA       LEU  42   2.798   2.631   2.631
  275   1HB   LEU  42          2HB       LEU  42   5.342   3.058   3.058
  276   2HB   LEU  42          1HB       LEU  42   5.106   1.876   1.876
  277    HG   LEU  42           HG       LEU  42   4.712   4.842   4.842
  278   1HD1  LEU  42          1HD1      LEU  42   7.205   3.251   3.251
  279   2HD1  LEU  42          3HD1      LEU  42   7.074   4.275   4.275
  280   3HD1  LEU  42          2HD1      LEU  42   6.957   4.985   4.985
  281   1HD2  LEU  42          2HD2      LEU  42   3.779   2.994   2.994
  282   2HD2  LEU  42          1HD2      LEU  42   4.727   4.288   4.288
  283   3HD2  LEU  42          3HD2      LEU  42   5.465   2.713   2.713
  284    H    ALA  43           H        ALA  43   1.782   0.880   0.880
  285    HA   ALA  43           HA       ALA  43   1.087   0.313   0.313
  286   1HB   ALA  43          1HB       ALA  43   0.199  -0.667  -0.667
  287   2HB   ALA  43          3HB       ALA  43   1.412  -1.916  -1.916
  288   3HB   ALA  43          2HB       ALA  43   0.131  -1.647  -1.647
  289    H    SER  44           H        SER  44   1.596  -1.824  -1.824
  290    HA   SER  44           HA       SER  44   4.438  -2.556  -2.556
  291   1HB   SER  44          2HB       SER  44   3.123  -1.965  -1.965
  292   2HB   SER  44          1HB       SER  44   4.826  -2.282  -2.282
  293    HG   SER  44           HG       SER  44   4.807  -0.342  -0.342
  294    H    ILE  45           H        ILE  45   4.653  -4.315  -4.315
  295    HA   ILE  45           HA       ILE  45   2.367  -6.162  -6.162
  296    HB   ILE  45           HB       ILE  45   3.999  -8.053  -8.053
  297   1HD1  ILE  45          1HD1      ILE  45   6.270  -8.547  -8.547
  298   2HD1  ILE  45          3HD1      ILE  45   7.563  -7.864  -7.864
  299   3HD1  ILE  45          2HD1      ILE  45   6.238  -8.738  -8.738
  300    H    HIS  46           H        HIS  46   2.136  -7.668  -7.668
  301    HA   HIS  46           HA       HIS  46   3.894  -7.498  -7.498
  302   1HB   HIS  46          2HB       HIS  46   1.997  -5.745  -5.745
  303   2HB   HIS  46          1HB       HIS  46   0.933  -7.133  -7.133
  304    HD1  HIS  46          1HD       HIS  46   1.403  -8.652  -8.652
  305    HD2  HIS  46          2HD       HIS  46   3.633  -5.133  -5.133
  306    HE1  HIS  46          1HE       HIS  46   2.385  -8.336  -8.336
  307    H    SER  47           H        SER  47   0.867  -8.784  -8.784
  308    HA   SER  47           HA       SER  47   0.917 -11.171 -11.171
  309   1HB   SER  47          2HB       SER  47  -1.089  -9.982  -9.982
  310   2HB   SER  47          1HB       SER  47  -0.602 -10.990 -10.990
  311    HG   SER  47           HG       SER  47  -1.277 -12.703 -12.703
  312    H    GLN  48           H        GLN  48   2.734 -10.227 -10.227
  313    HA   GLN  48           HA       GLN  48   4.281 -11.361 -11.361
  314   1HB   GLN  48          2HB       GLN  48   3.381 -13.945 -13.945
  315   2HB   GLN  48          1HB       GLN  48   4.918 -13.609 -13.609
  316   1HG   GLN  48          2HG       GLN  48   5.621 -12.156 -12.156
  317   2HG   GLN  48          1HG       GLN  48   4.003 -12.098 -12.098
  318    H    GLU  49           H        GLU  49   1.415 -13.505 -13.505
  319    HA   GLU  49           HA       GLU  49   1.439 -14.453 -14.453
  320   1HB   GLU  49          2HB       GLU  49  -0.102 -15.068 -15.068
  321   2HB   GLU  49          1HB       GLU  49  -1.189 -13.896 -13.896
  322   1HG   GLU  49          2HG       GLU  49  -1.843 -15.864 -15.864
  323   2HG   GLU  49          1HG       GLU  49  -0.652 -15.231 -15.231
  324    H    GLU  50           H        GLU  50   0.394 -11.399 -11.399
  325    HA   GLU  50           HA       GLU  50  -1.124 -10.511 -10.511
  326   1HB   GLU  50          2HB       GLU  50   0.292  -9.088  -9.088
  327   2HB   GLU  50          1HB       GLU  50  -0.465  -8.190  -8.190
  328   1HG   GLU  50          2HG       GLU  50  -2.027 -10.332 -10.332
  329   2HG   GLU  50          1HG       GLU  50  -1.860  -8.743  -8.743
  330    H    HIS  51           H        HIS  51   2.304 -10.580 -10.580
  331    HA   HIS  51           HA       HIS  51   3.237  -8.849  -8.849
  332   1HB   HIS  51          2HB       HIS  51   4.593  -9.861  -9.861
  333   2HB   HIS  51          1HB       HIS  51   4.695 -11.321 -11.321
  334    HD1  HIS  51          1HD       HIS  51   5.037  -7.633  -7.633
  335    HD2  HIS  51          2HD       HIS  51   7.160 -11.209 -11.209
  336    HE1  HIS  51          1HE       HIS  51   7.145  -7.113  -7.113
  337    H    SER  52           H        SER  52   2.507 -12.313 -12.313
  338    HA   SER  52           HA       SER  52   3.335 -13.067 -13.067
  339   1HB   SER  52          2HB       SER  52   2.250 -14.427 -14.427
  340   2HB   SER  52          1HB       SER  52   0.798 -14.216 -14.216
  341    HG   SER  52           HG       SER  52   2.922 -15.844 -15.844
  342    H    PHE  53           H        PHE  53   0.483 -11.349 -11.349
  343    HA   PHE  53           HA       PHE  53  -1.238 -11.601 -11.601
  344   1HB   PHE  53          2HB       PHE  53  -1.483 -10.299 -10.299
  345   2HB   PHE  53          1HB       PHE  53  -0.913  -8.929  -8.929
  346    HD1  PHE  53          1HD       PHE  53  -3.339 -11.745 -11.745
  347    HD2  PHE  53          2HD       PHE  53  -2.413  -7.659  -7.659
  348    HE1  PHE  53          1HE       PHE  53  -5.606 -11.420 -11.420
  349    HE2  PHE  53          2HE       PHE  53  -4.660  -7.328  -7.328
  350    HZ   PHE  53           HZ       PHE  53  -6.296  -9.206  -9.206
  351    H    ILE  54           H        ILE  54   1.048  -8.892  -8.892
  352    HA   ILE  54           HA       ILE  54   0.702  -7.764  -7.764
  353    HB   ILE  54           HB       ILE  54   2.903  -6.641  -6.641
  354   1HD1  ILE  54          2HD1      ILE  54   3.966  -5.763  -5.763
  355   2HD1  ILE  54          1HD1      ILE  54   4.729  -6.954  -6.954
  356   3HD1  ILE  54          3HD1      ILE  54   5.221  -6.827  -6.827
  357    H    GLN  55           H        GLN  55   2.814 -10.327 -10.327
  358    HA   GLN  55           HA       GLN  55   4.457 -10.425 -10.425
  359   1HB   GLN  55          2HB       GLN  55   4.160 -11.978 -11.978
  360   2HB   GLN  55          1HB       GLN  55   4.610 -12.956 -12.956
  361   1HG   GLN  55          2HG       GLN  55   6.643 -12.160 -12.160
  362   2HG   GLN  55          1HG       GLN  55   6.447 -11.309 -11.309
  363    H    THR  56           H        THR  56   1.396 -11.826 -11.826
  364    HA   THR  56           HA       THR  56   1.314 -13.839 -13.839
  365    HB   THR  56           HB       THR  56  -1.011 -12.562 -12.562
  366    HG1  THR  56          1HG       THR  56  -0.656 -14.040 -14.040
  367    H    LEU  57           H        LEU  57   0.440 -10.454 -10.454
  368    HA   LEU  57           HA       LEU  57  -1.186 -10.423 -10.423
  369   1HB   LEU  57          2HB       LEU  57   0.196  -8.264  -8.264
  370   2HB   LEU  57          1HB       LEU  57  -0.703  -7.912  -7.912
  371    HG   LEU  57           HG       LEU  57  -1.972  -9.554  -9.554
  372   1HD1  LEU  57          2HD1      LEU  57  -1.028  -7.353  -7.353
  373   2HD1  LEU  57          1HD1      LEU  57  -2.170  -6.540  -6.540
  374   3HD1  LEU  57          3HD1      LEU  57  -2.763  -7.603  -7.603
  375   1HD2  LEU  57          3HD2      LEU  57  -2.855  -7.872  -7.872
  376   2HD2  LEU  57          2HD2      LEU  57  -3.289  -9.536  -9.536
  377   3HD2  LEU  57          1HD2      LEU  57  -3.972  -8.204  -8.204
  378    H    ASN  58           H        ASN  58   2.175  -9.450  -9.450
  379    HA   ASN  58           HA       ASN  58   3.998  -9.210  -9.210
  380   1HB   ASN  58          2HB       ASN  58   2.449 -10.975 -10.975
  381   2HB   ASN  58          1HB       ASN  58   4.191 -10.697 -10.697
  382   1HD2  ASN  58          1HD2      ASN  58   1.535 -12.261 -12.261
  383   2HD2  ASN  58          2HD2      ASN  58   2.530 -13.249 -13.249
  384    H    ALA  59           H        ALA  59   4.261  -7.224  -7.224
  385    HA   ALA  59           HA       ALA  59   3.331  -6.518  -6.518
  386   1HB   ALA  59          2HB       ALA  59   1.766  -5.644  -5.644
  387   2HB   ALA  59          1HB       ALA  59   2.242  -4.332  -4.332
  388   3HB   ALA  59          3HB       ALA  59   1.316  -5.696  -5.696
  389    H    GLY  60           H        GLY  60   5.810  -6.705  -6.705
  390   1HA   GLY  60          2HA       GLY  60   7.707  -5.272  -5.272
  391   2HA   GLY  60          1HA       GLY  60   6.718  -3.889  -3.889
  392    H    VAL  61           H        VAL  61   8.283  -3.165  -3.165
  393    HA   VAL  61           HA       VAL  61   8.727  -4.995  -4.995
  394    HB   VAL  61           HB       VAL  61  10.029  -2.293  -2.293
  395    H    VAL  62           H        VAL  62   8.677  -3.827  -3.827
  396    HA   VAL  62           HA       VAL  62   6.401  -1.940  -1.940
  397    HB   VAL  62           HB       VAL  62   6.942  -4.092  -4.092
  398    H    TRP  63           H        TRP  63   6.974  -0.075  -0.075
  399    HA   TRP  63           HA       TRP  63   9.437   0.231   0.231
  400   1HB   TRP  63          2HB       TRP  63   7.247   2.193   2.193
  401   2HB   TRP  63          1HB       TRP  63   8.724   2.632   2.632
  402    HD1  TRP  63           HD       TRP  63   7.342   2.107   2.107
  403    HE1  TRP  63          1HE       TRP  63   9.215   2.344   2.344
  404    HE3  TRP  63          3HE       TRP  63  11.453   2.015   2.015
  405    HZ2  TRP  63          2HZ       TRP  63  12.059   2.474   2.474
  406    HZ3  TRP  63          3HZ       TRP  63  13.726   2.207   2.207
  407    HH2  TRP  63           HH       TRP  63  14.036   2.436   2.436
  408    H    ILE  64           H        ILE  64   9.121  -0.960  -0.960
  409    HA   ILE  64           HA       ILE  64   7.510   0.429   0.429
  410    HB   ILE  64           HB       ILE  64   7.186  -2.513  -2.513
  411   1HD1  ILE  64          1HD1      ILE  64   4.934  -3.106  -3.106
  412   2HD1  ILE  64          3HD1      ILE  64   4.237  -2.470  -2.470
  413   3HD1  ILE  64          2HD1      ILE  64   3.655  -1.895  -1.895
  414    H    GLY  65           H        GLY  65   8.933   0.912   0.912
  415   1HA   GLY  65          2HA       GLY  65  10.224  -0.815  -0.815
  416   2HA   GLY  65          1HA       GLY  65  11.384  -0.549  -0.549
  417    H    GLY  66           H        GLY  66  10.681   2.149   2.149
  418   1HA   GLY  66          2HA       GLY  66  10.422   4.194   4.194
  419   2HA   GLY  66          1HA       GLY  66  11.734   3.480   3.480
  420    H    SER  67           H        SER  67  13.416   4.802   4.802
  421    HA   SER  67           HA       SER  67  14.764   4.856   4.856
  422   1HB   SER  67          2HB       SER  67  12.810   6.631   6.631
  423   2HB   SER  67          1HB       SER  67  13.920   7.606   7.606
  424    HG   SER  67           HG       SER  67  14.623   8.028   8.028
  425    H    ALA  68           H        ALA  68  16.849   5.761   5.761
  426    HA   ALA  68           HA       ALA  68  17.694   7.100   7.100
  427   1HB   ALA  68          2HB       ALA  68  17.627   4.496   4.496
  428   2HB   ALA  68          1HB       ALA  68  19.125   4.524   4.524
  429   3HB   ALA  68          3HB       ALA  68  18.999   5.447   5.447
  430    H    CYS  69           H        CYS  69  18.866   8.665   8.665
  431    HA   CYS  69           HA       CYS  69  21.236   8.027   8.027
  432   1HB   CYS  69          2HB       CYS  69  18.943   8.362   8.362
  433   2HB   CYS  69          1HB       CYS  69  19.641   9.978   9.978
  434    H    LEU  70           H        LEU  70  20.431   9.407   9.407
  435    HA   LEU  70           HA       LEU  70  22.022  11.809  11.809
  436   1HB   LEU  70          2HB       LEU  70  19.369  12.190  12.190
  437   2HB   LEU  70          1HB       LEU  70  19.486  12.331  12.331
  438    HG   LEU  70           HG       LEU  70  21.561  13.771  13.771
  439   1HD1  LEU  70          3HD1      LEU  70  19.521  14.207  14.207
  440   2HD1  LEU  70          2HD1      LEU  70  18.682  14.720  14.720
  441   3HD1  LEU  70          1HD1      LEU  70  20.046  15.657  15.657
  442   1HD2  LEU  70          2HD2      LEU  70  20.006  14.055  14.055
  443   2HD2  LEU  70          1HD2      LEU  70  21.738  14.236  14.236
  444   3HD2  LEU  70          3HD2      LEU  70  20.629  15.525  15.525
  445    H    GLN  71           H        GLN  71  22.229   9.271   9.271
  446    HA   GLN  71           HA       GLN  71  22.941  10.397  10.397
  447   1HB   GLN  71          2HB       GLN  71  20.926   8.148   8.148
  448   2HB   GLN  71          1HB       GLN  71  21.715   8.639   8.639
  449   1HG   GLN  71          2HG       GLN  71  20.812  10.978  10.978
  450   2HG   GLN  71          1HG       GLN  71  19.835  10.276  10.276
  451    H    ALA  72           H        ALA  72  23.680   8.349   8.349
  452    HA   ALA  72           HA       ALA  72  25.490   6.787   6.787
  453   1HB   ALA  72          1HB       ALA  72  25.897   7.664   7.664
  454   2HB   ALA  72          3HB       ALA  72  27.023   6.685   6.685
  455   3HB   ALA  72          2HB       ALA  72  26.696   8.352   8.352
  456    H    GLY  73           H        GLY  73  23.971   5.096   5.096
  457   1HA   GLY  73          2HA       GLY  73  23.193   2.980   2.980
  458   2HA   GLY  73          1HA       GLY  73  24.143   3.051   3.051
  459    H    ALA  74           H        ALA  74  21.187   4.416   4.416
  460    HA   ALA  74           HA       ALA  74  19.731   3.832   3.832
  461   1HB   ALA  74          3HB       ALA  74  20.698   6.226   6.226
  462   2HB   ALA  74          2HB       ALA  74  19.519   6.597   6.597
  463   3HB   ALA  74          1HB       ALA  74  18.976   6.026   6.026
  464    H    TRP  75           H        TRP  75  18.444   2.390   2.390
  465    HA   TRP  75           HA       TRP  75  16.880   3.426   3.426
  466   1HB   TRP  75          2HB       TRP  75  17.830   0.694   0.694
  467   2HB   TRP  75          1HB       TRP  75  16.334   0.849   0.849
  468    HD1  TRP  75           HD       TRP  75  20.053   1.011   1.011
  469    HE1  TRP  75          1HE       TRP  75  20.691   1.593   1.593
  470    HE3  TRP  75          3HE       TRP  75  15.474   2.342   2.342
  471    HZ2  TRP  75          2HZ       TRP  75  19.427   2.506   2.506
  472    HZ3  TRP  75          3HZ       TRP  75  15.219   3.065   3.065
  473    HH2  TRP  75           HH       TRP  75  17.187   3.148   3.148
  474    H    THR  76           H        THR  76  14.768   3.747   3.747
  475    HA   THR  76           HA       THR  76  13.296   2.345   2.345
  476    HB   THR  76           HB       THR  76  12.157   4.563   4.563
  477    HG1  THR  76          1HG       THR  76  12.822   6.208   6.208
  478    H    TRP  77           H        TRP  77  10.860   3.251   3.251
  479    HA   TRP  77           HA       TRP  77   9.909   2.317   2.317
  480   1HB   TRP  77          2HB       TRP  77   8.724   3.433   3.433
  481   2HB   TRP  77          1HB       TRP  77   7.777   3.702   3.702
  482    HD1  TRP  77           HD       TRP  77   7.852   1.366   1.366
  483    HE1  TRP  77          1HE       TRP  77   7.113  -0.997  -0.997
  484    HE3  TRP  77          3HE       TRP  77   8.264   1.804   1.804
  485    HZ2  TRP  77          2HZ       TRP  77   6.739  -2.503  -2.503
  486    HZ3  TRP  77          3HZ       TRP  77   7.709  -0.108  -0.108
  487    HH2  TRP  77           HH       TRP  77   6.947  -2.259  -2.259
  488    H    SER  78           H        SER  78   7.991   3.965   3.965
  489    HA   SER  78           HA       SER  78   9.300   5.743   5.743
  490   1HB   SER  78          2HB       SER  78   6.440   6.046   6.046
  491   2HB   SER  78          1HB       SER  78   7.138   6.603   6.603
  492    HG   SER  78           HG       SER  78   6.101   4.217   4.217
  493    H    ASP  79           H        ASP  79   7.796   6.352   6.352
  494    HA   ASP  79           HA       ASP  79   9.418   8.732   8.732
  495   1HB   ASP  79          2HB       ASP  79   7.372   9.489   9.489
  496   2HB   ASP  79          1HB       ASP  79   6.417   9.064   9.064
  497    H    GLY  80           H        GLY  80   9.149   6.188   6.188
  498   1HA   GLY  80          2HA       GLY  80   8.536   7.212   7.212
  499   2HA   GLY  80          1HA       GLY  80   7.712   5.752   5.752
  500    H    THR  81           H        THR  81   8.569   4.055   4.055
  501    HA   THR  81           HA       THR  81  11.485   3.945   3.945
  502    HB   THR  81           HB       THR  81  10.205   1.804   1.804
  503    HG1  THR  81          1HG       THR  81   8.385   2.559   2.559
  504    HA   PRO  82           HA       PRO  82  11.849   0.446   0.446
  505   1HB   PRO  82          2HB       PRO  82  13.377  -1.354  -1.354
  506   2HB   PRO  82          1HB       PRO  82  14.004   0.158   0.158
  507   1HG   PRO  82          2HG       PRO  82  13.438  -0.549  -0.549
  508   2HG   PRO  82          1HG       PRO  82  14.590   0.621   0.621
  509   1HD   PRO  82          2HD       PRO  82  12.063   1.208   1.208
  510   2HD   PRO  82          1HD       PRO  82  13.099   2.333   2.333
  511    H    MET  83           H        MET  83  11.643  -2.064  -2.064
  512    HA   MET  83           HA       MET  83   9.369  -2.953  -2.953
  513   1HB   MET  83          2HB       MET  83   9.318  -2.505  -2.505
  514   2HB   MET  83          1HB       MET  83   9.819  -4.196  -4.196
  515   1HG   MET  83          2HG       MET  83   7.852  -4.333  -4.333
  516   2HG   MET  83          1HG       MET  83   7.251  -2.964  -2.964
  517   1HE   MET  83          1HE       MET  83   6.818  -6.028  -6.028
  518   2HE   MET  83          3HE       MET  83   6.008  -6.846  -6.846
  519   3HE   MET  83          2HE       MET  83   7.728  -7.090  -7.090
  520    H    ASN  84           H        ASN  84   9.468  -5.605  -5.605
  521    HA   ASN  84           HA       ASN  84  12.088  -6.700  -6.700
  522   1HB   ASN  84          2HB       ASN  84  10.763  -8.348  -8.348
  523   2HB   ASN  84          1HB       ASN  84  11.458  -6.844  -6.844
  524   1HD2  ASN  84          1HD2      ASN  84   8.504  -7.115  -7.115
  525   2HD2  ASN  84          2HD2      ASN  84   7.460  -6.498  -6.498
  526    H    PHE  85           H        PHE  85  11.557  -9.336  -9.336
  527    HA   PHE  85           HA       PHE  85  11.044 -11.204 -11.204
  528   1HB   PHE  85          2HB       PHE  85   8.759 -10.854 -10.854
  529   2HB   PHE  85          1HB       PHE  85   8.630  -9.493  -9.493
  530    HD1  PHE  85          2HD       PHE  85   9.650 -13.116 -13.116
  531    HD2  PHE  85          1HD       PHE  85   7.497  -9.880  -9.880
  532    HE1  PHE  85          2HE       PHE  85   8.895 -14.638 -14.638
  533    HE2  PHE  85          1HE       PHE  85   6.739 -11.396 -11.396
  534    HZ   PHE  85           HZ       PHE  85   7.440 -13.779 -13.779
  535    H    ARG  86           H        ARG  86  12.451 -11.579 -11.579
  536    HA   ARG  86           HA       ARG  86  12.064 -11.159 -11.159
  537   1HB   ARG  86          2HB       ARG  86  13.868  -9.523  -9.523
  538   2HB   ARG  86          1HB       ARG  86  12.502  -8.820  -8.820
  539   1HG   ARG  86          2HG       ARG  86  13.986  -9.541  -9.541
  540   2HG   ARG  86          1HG       ARG  86  15.280  -9.296  -9.296
  541   1HD   ARG  86          2HD       ARG  86  13.097  -7.261  -7.261
  542   2HD   ARG  86          1HD       ARG  86  14.629  -7.243  -7.243
  543    HE   ARG  86           HE       ARG  86  15.284  -7.336  -7.336
  544   1HH1  ARG  86          1HH2      ARG  86  12.632  -5.547  -5.547
  545   2HH1  ARG  86          2HH2      ARG  86  13.337  -3.984  -3.984
  546   1HH2  ARG  86          1HH1      ARG  86  16.589  -5.180  -5.180
  547   2HH2  ARG  86          2HH1      ARG  86  15.578  -3.776  -3.776
  548    H    SER  87           H        SER  87  12.690 -13.323 -13.323
  549    HA   SER  87           HA       SER  87  15.583 -13.777 -13.777
  550   1HB   SER  87          2HB       SER  87  13.276 -15.700 -15.700
  551   2HB   SER  87          1HB       SER  87  14.976 -16.150 -16.150
  552    HG   SER  87           HG       SER  87  13.387 -14.874 -14.874
  553    H    TRP  88           H        TRP  88  14.298 -12.865 -12.865
  554    HA   TRP  88           HA       TRP  88  13.967 -15.005 -15.005
  555   1HB   TRP  88          2HB       TRP  88  14.814 -12.171 -12.171
  556   2HB   TRP  88          1HB       TRP  88  14.030 -13.320 -13.320
  557    HD1  TRP  88           HD       TRP  88  13.340 -10.933 -10.933
  558    HE1  TRP  88          1HE       TRP  88  10.795 -10.717 -10.717
  559    HE3  TRP  88          3HE       TRP  88  11.725 -14.627 -14.627
  560    HZ2  TRP  88          2HZ       TRP  88   8.388 -11.951 -11.951
  561    HZ3  TRP  88          3HZ       TRP  88   9.304 -15.085 -15.085
  562    HH2  TRP  88           HH       TRP  88   7.634 -13.753 -13.753
  563    H    CYS  89           H        CYS  89  16.650 -12.692 -12.692
  564    HA   CYS  89           HA       CYS  89  18.590 -14.794 -14.794
  565   1HB   CYS  89          2HB       CYS  89  19.688 -13.453 -13.453
  566   2HB   CYS  89          1HB       CYS  89  18.103 -14.073 -14.073
  567    H    SER  90           H        SER  90  20.870 -13.488 -13.488
  568    HA   SER  90           HA       SER  90  21.450 -12.523 -12.523
  569   1HB   SER  90          2HB       SER  90  23.016 -13.326 -13.326
  570   2HB   SER  90          1HB       SER  90  23.090 -11.603 -11.603
  571    HG   SER  90           HG       SER  90  23.874 -12.999 -12.999
  572    H    THR  91           H        THR  91  22.536 -10.312 -10.312
  573    HA   THR  91           HA       THR  91  20.558  -8.304  -8.304
  574    HB   THR  91           HB       THR  91  22.559  -6.783  -6.783
  575    HG1  THR  91          1HG       THR  91  24.394  -7.784  -7.784
  576    H    LYS  92           H        LYS  92  20.639  -6.309  -6.309
  577    HA   LYS  92           HA       LYS  92  21.236  -6.559  -6.559
  578   1HB   LYS  92          2HB       LYS  92  20.798  -4.107  -4.107
  579   2HB   LYS  92          1HB       LYS  92  19.539  -4.994  -4.994
  580   1HG   LYS  92          2HG       LYS  92  21.254  -4.418  -4.418
  581   2HG   LYS  92          1HG       LYS  92  21.482  -3.006  -3.006
  582   1HD   LYS  92          2HD       LYS  92  19.378  -2.221  -2.221
  583   2HD   LYS  92          1HD       LYS  92  18.665  -3.833  -3.833
  584   1HE   LYS  92          2HE       LYS  92  18.520  -2.810  -2.810
  585   2HE   LYS  92          1HE       LYS  92  19.514  -4.267  -4.267
  586   1HZ   LYS  92          3HZ       LYS  92  20.567  -1.499  -1.499
  587   2HZ   LYS  92          2HZ       LYS  92  20.533  -2.414  -2.414
  588   3HZ   LYS  92          1HZ       LYS  92  21.486  -2.920  -2.920
  589    HA   PRO  93           HA       PRO  93  25.527  -5.420  -5.420
  590   1HB   PRO  93          2HB       PRO  93  25.850  -4.896  -4.896
  591   2HB   PRO  93          1HB       PRO  93  25.686  -6.528  -6.528
  592   1HG   PRO  93          2HG       PRO  93  23.744  -4.936  -4.936
  593   2HG   PRO  93          1HG       PRO  93  23.867  -6.691  -6.691
  594   1HD   PRO  93          2HD       PRO  93  22.042  -4.943  -4.943
  595   2HD   PRO  93          1HD       PRO  93  22.288  -6.677  -6.677
  596    H    ASP  94           H        ASP  94  26.783  -3.618  -3.618
  597    HA   ASP  94           HA       ASP  94  27.365  -1.401  -1.401
  598   1HB   ASP  94          2HB       ASP  94  25.854  -1.478  -1.478
  599   2HB   ASP  94          1HB       ASP  94  26.374   0.070   0.070
  600    H    ASP  95           H        ASP  95  26.368   0.896   0.896
  601    HA   ASP  95           HA       ASP  95  23.606   1.247   1.247
  602   1HB   ASP  95          2HB       ASP  95  24.276  -0.183  -0.183
  603   2HB   ASP  95          1HB       ASP  95  25.268   1.177   1.177
  604    H    VAL  96           H        VAL  96  25.687   2.552   2.552
  605    HA   VAL  96           HA       VAL  96  26.182   5.013   5.013
  606    HB   VAL  96           HB       VAL  96  27.741   5.563   5.563
  607    H    LEU  97           H        LEU  97  26.357   6.909   6.909
  608    HA   LEU  97           HA       LEU  97  23.723   7.717   7.717
  609   1HB   LEU  97          2HB       LEU  97  26.338   8.553   8.553
  610   2HB   LEU  97          1HB       LEU  97  24.809   9.285   9.285
  611    HG   LEU  97           HG       LEU  97  25.410   9.074   9.074
  612   1HD1  LEU  97          2HD1      LEU  97  27.431  10.033  10.033
  613   2HD1  LEU  97          1HD1      LEU  97  26.385  11.422  11.422
  614   3HD1  LEU  97          3HD1      LEU  97  26.807  10.971  10.971
  615   1HD2  LEU  97          2HD2      LEU  97  23.270   9.984   9.984
  616   2HD2  LEU  97          1HD2      LEU  97  23.856  10.793  10.793
  617   3HD2  LEU  97          3HD2      LEU  97  24.251  11.444  11.444
  618    H    ALA  98           H        ALA  98  25.676   5.508   5.508
  619    HA   ALA  98           HA       ALA  98  24.732   5.716   5.716
  620   1HB   ALA  98          1HB       ALA  98  25.374   3.237   3.237
  621   2HB   ALA  98          3HB       ALA  98  25.069   3.225   3.225
  622   3HB   ALA  98          2HB       ALA  98  26.446   4.116   4.116
  623    H    ALA  99           H        ALA  99  23.012   4.649   4.649
  624    HA   ALA  99           HA       ALA  99  20.602   4.270   4.270
  625   1HB   ALA  99          2HB       ALA  99  21.502   2.023   2.023
  626   2HB   ALA  99          1HB       ALA  99  21.413   2.450   2.450
  627   3HB   ALA  99          3HB       ALA  99  19.936   2.332   2.332
  628    H    CYS 100           H        CYS 100  18.943   5.417   5.417
  629    HA   CYS 100           HA       CYS 100  19.086   6.405   6.405
  630   1HB   CYS 100          2HB       CYS 100  17.820   7.790   7.790
  631   2HB   CYS 100          1HB       CYS 100  17.956   8.429   8.429
  632    H    CYS 101           H        CYS 101  16.990   5.215   5.215
  633    HA   CYS 101           HA       CYS 101  14.749   5.082   5.082
  634   1HB   CYS 101          2HB       CYS 101  14.791   4.812   4.812
  635   2HB   CYS 101          1HB       CYS 101  13.346   4.620   4.620
  636    H    MET 102           H        MET 102  14.713   3.220   3.220
  637    HA   MET 102           HA       MET 102  15.957   0.812   0.812
  638   1HB   MET 102          2HB       MET 102  14.265  -0.276  -0.276
  639   2HB   MET 102          1HB       MET 102  15.117   1.087   1.087
  640   1HG   MET 102          2HG       MET 102  12.937   1.635   1.635
  641   2HG   MET 102          1HG       MET 102  13.050   2.454   2.454
  642   1HE   MET 102          1HE       MET 102  11.598   2.385   2.385
  643   2HE   MET 102          3HE       MET 102  10.193   1.330   1.330
  644   3HE   MET 102          2HE       MET 102  10.303   2.399   2.399
  645    H    GLN 103           H        GLN 103  14.904  -1.268  -1.268
  646    HA   GLN 103           HA       GLN 103  12.408  -1.154  -1.154
  647   1HB   GLN 103          2HB       GLN 103  13.895   0.000   0.000
  648   2HB   GLN 103          1HB       GLN 103  14.939  -1.419  -1.419
  649   1HG   GLN 103          2HG       GLN 103  12.319  -2.376  -2.376
  650   2HG   GLN 103          1HG       GLN 103  12.491  -0.923  -0.923
  651    H    MET 104           H        MET 104  11.592  -3.134  -3.134
  652    HA   MET 104           HA       MET 104  13.307  -5.463  -5.463
  653   1HB   MET 104          2HB       MET 104  10.470  -4.868  -4.868
  654   2HB   MET 104          1HB       MET 104  11.094  -6.515  -6.515
  655   1HG   MET 104          2HG       MET 104  13.002  -5.736  -5.736
  656   2HG   MET 104          1HG       MET 104  12.156  -4.200  -4.200
  657   1HE   MET 104          1HE       MET 104  12.110  -4.128  -4.128
  658   2HE   MET 104          3HE       MET 104  11.043  -4.984  -4.984
  659   3HE   MET 104          2HE       MET 104  12.609  -5.669  -5.669
  660    H    THR 105           H        THR 105  13.736  -5.801  -5.801
  661    HA   THR 105           HA       THR 105  12.071  -5.782  -5.782
  662    HB   THR 105           HB       THR 105  13.520  -7.968  -7.968
  663    HG1  THR 105          1HG       THR 105  14.284  -8.006  -8.006
  664    H    ALA 106           H        ALA 106  11.134  -7.656  -7.656
  665    HA   ALA 106           HA       ALA 106   9.872  -9.604  -9.604
  666   1HB   ALA 106          3HB       ALA 106   8.588  -7.601  -7.601
  667   2HB   ALA 106          2HB       ALA 106   7.833  -9.192  -9.192
  668   3HB   ALA 106          1HB       ALA 106   8.065  -8.216  -8.216
  669    H    ALA 107           H        ALA 107  11.965 -10.573 -10.573
  670    HA   ALA 107           HA       ALA 107  10.913 -11.762 -11.762
  671   1HB   ALA 107          3HB       ALA 107  13.249 -10.719 -10.719
  672   2HB   ALA 107          2HB       ALA 107  13.682 -12.121 -12.121
  673   3HB   ALA 107          1HB       ALA 107  13.145 -12.341 -12.341
  674    H    ALA 108           H        ALA 108  11.336 -12.465 -12.465
  675    HA   ALA 108           HA       ALA 108  10.596 -14.359 -14.359
  676   1HB   ALA 108          1HB       ALA 108   9.768 -15.307 -15.307
  677   2HB   ALA 108          3HB       ALA 108  11.283 -16.208 -16.208
  678   3HB   ALA 108          2HB       ALA 108  10.090 -16.411 -16.411
  679    H    ASP 109           H        ASP 109  13.400 -14.177 -14.177
  680    HA   ASP 109           HA       ASP 109  15.003 -15.412 -15.412
  681   1HB   ASP 109          2HB       ASP 109  15.434 -15.443 -15.443
  682   2HB   ASP 109          1HB       ASP 109  16.655 -15.932 -15.932
  683    H    GLN 110           H        GLN 110  14.108 -12.535 -12.535
  684    HA   GLN 110           HA       GLN 110  16.589 -11.264 -11.264
  685   1HB   GLN 110          2HB       GLN 110  14.011 -10.529 -10.529
  686   2HB   GLN 110          1HB       GLN 110  14.378  -9.513  -9.513
  687   1HG   GLN 110          2HG       GLN 110  15.806  -8.227  -8.227
  688   2HG   GLN 110          1HG       GLN 110  16.590  -9.626  -9.626
  689    H    CYS 111           H        CYS 111  14.220 -11.577 -11.577
  690    HA   CYS 111           HA       CYS 111  14.346 -11.272 -11.272
  691   1HB   CYS 111          2HB       CYS 111  16.707 -12.405 -12.405
  692   2HB   CYS 111          1HB       CYS 111  17.295 -10.814 -10.814
  693    H    TRP 112           H        TRP 112  14.986  -9.597  -9.597
  694    HA   TRP 112           HA       TRP 112  14.379  -7.012  -7.012
  695   1HB   TRP 112          2HB       TRP 112  15.748  -7.677  -7.677
  696   2HB   TRP 112          1HB       TRP 112  14.824  -6.226  -6.226
  697    HD1  TRP 112           HD       TRP 112  13.920  -7.853  -7.853
  698    HE1  TRP 112          1HE       TRP 112  11.658  -9.073  -9.073
  699    HE3  TRP 112          3HE       TRP 112  12.989  -8.293  -8.293
  700    HZ2  TRP 112          2HZ       TRP 112   9.721 -10.100 -10.100
  701    HZ3  TRP 112          3HZ       TRP 112  10.929  -9.400  -9.400
  702    HH2  TRP 112           HH       TRP 112   9.292 -10.303 -10.303
  703    H    ASP 113           H        ASP 113  15.622  -5.160  -5.160
  704    HA   ASP 113           HA       ASP 113  18.431  -5.046  -5.046
  705   1HB   ASP 113          2HB       ASP 113  17.488  -6.042  -6.042
  706   2HB   ASP 113          1HB       ASP 113  18.706  -4.768  -4.768
  707    H    ASP 114           H        ASP 114  18.696  -2.967  -2.967
  708    HA   ASP 114           HA       ASP 114  16.914  -0.896  -0.896
  709   1HB   ASP 114          2HB       ASP 114  19.927  -0.723  -0.723
  710   2HB   ASP 114          1HB       ASP 114  18.819   0.639   0.639
  711    H    LEU 115           H        LEU 115  17.204   1.069   1.069
  712    HA   LEU 115           HA       LEU 115  18.488   0.565   0.565
  713   1HB   LEU 115          2HB       LEU 115  15.638   0.475   0.475
  714   2HB   LEU 115          1HB       LEU 115  16.016   1.841   1.841
  715    HG   LEU 115           HG       LEU 115  17.365   0.296   0.296
  716   1HD1  LEU 115          1HD1      LEU 115  16.559  -1.578  -1.578
  717   2HD1  LEU 115          3HD1      LEU 115  16.480  -2.212  -2.212
  718   3HD1  LEU 115          2HD1      LEU 115  18.002  -1.580  -1.580
  719   1HD2  LEU 115          3HD2      LEU 115  14.427  -0.179  -0.179
  720   2HD2  LEU 115          2HD2      LEU 115  15.191   0.725   0.725
  721   3HD2  LEU 115          1HD2      LEU 115  15.279  -1.035  -1.035
  722    HA   PRO 116           HA       PRO 116  19.344   4.886   4.886
  723   1HB   PRO 116          2HB       PRO 116  19.414   5.640   5.640
  724   2HB   PRO 116          1HB       PRO 116  20.660   4.651   4.651
  725   1HG   PRO 116          2HG       PRO 116  18.582   3.859   3.859
  726   2HG   PRO 116          1HG       PRO 116  20.135   3.094   3.094
  727   1HD   PRO 116          2HD       PRO 116  17.558   2.261   2.261
  728   2HD   PRO 116          1HD       PRO 116  19.134   1.601   1.601
  729    H    CYS 117           H        CYS 117  16.315   3.909   3.909
  730    HA   CYS 117           HA       CYS 117  14.331   5.018   5.018
  731   1HB   CYS 117          2HB       CYS 117  15.871   7.191   7.191
  732   2HB   CYS 117          1HB       CYS 117  15.052   7.706   7.706
  733    HA   PRO 118           HA       PRO 118  13.597   6.182   6.182
  734   1HB   PRO 118          2HB       PRO 118  15.658   6.011   6.011
  735   2HB   PRO 118          1HB       PRO 118  15.235   7.488   7.488
  736   1HG   PRO 118          2HG       PRO 118  17.521   5.658   5.658
  737   2HG   PRO 118          1HG       PRO 118  17.363   7.372   7.372
  738   1HD   PRO 118          2HD       PRO 118  17.148   5.172   5.172
  739   2HD   PRO 118          1HD       PRO 118  16.773   6.873   6.873
  740    H    ALA 119           H        ALA 119  12.425   4.323   4.323
  741    HA   ALA 119           HA       ALA 119  13.211   2.293   2.293
  742   1HB   ALA 119          3HB       ALA 119  14.504   1.722   1.722
  743   2HB   ALA 119          2HB       ALA 119  12.921   1.204   1.204
  744   3HB   ALA 119          1HB       ALA 119  13.631   0.445   0.445
  745    H    SER 120           H        SER 120  11.192   3.421   3.421
  746    HA   SER 120           HA       SER 120   8.827   3.455   3.455
  747   1HB   SER 120          2HB       SER 120   9.516   4.068   4.068
  748   2HB   SER 120          1HB       SER 120   8.641   2.575   2.575
  749    HG   SER 120           HG       SER 120   7.711   4.839   4.839
  750    H    HIS 121           H        HIS 121   8.380   1.833   1.833
  751    HA   HIS 121           HA       HIS 121   7.679  -0.754  -0.754
  752   1HB   HIS 121          2HB       HIS 121   8.805   0.028   0.028
  753   2HB   HIS 121          1HB       HIS 121   8.040  -1.533  -1.533
  754    HD1  HIS 121          1HD       HIS 121   9.045  -2.264  -2.264
  755    HD2  HIS 121          2HD       HIS 121  11.517  -0.544  -0.544
  756    HE1  HIS 121          1HE       HIS 121  11.424  -2.815  -2.815
  757    H    LYS 122           H        LYS 122   5.745  -1.761  -1.761
  758    HA   LYS 122           HA       LYS 122   3.497  -0.187  -0.187
  759   1HB   LYS 122          2HB       LYS 122   2.428  -2.067  -2.067
  760   2HB   LYS 122          1HB       LYS 122   3.138  -2.516  -2.516
  761   1HG   LYS 122          2HG       LYS 122   5.068  -3.450  -3.450
  762   2HG   LYS 122          1HG       LYS 122   4.686  -2.694  -2.694
  763   1HD   LYS 122          2HD       LYS 122   2.494  -4.378  -4.378
  764   2HD   LYS 122          1HD       LYS 122   3.994  -5.289  -5.289
  765   1HE   LYS 122          2HE       LYS 122   3.986  -3.755  -3.755
  766   2HE   LYS 122          1HE       LYS 122   2.283  -4.158  -4.158
  767   1HZ   LYS 122          3HZ       LYS 122   3.011  -6.504  -6.504
  768   2HZ   LYS 122          2HZ       LYS 122   4.573  -6.035  -6.035
  769   3HZ   LYS 122          1HZ       LYS 122   3.276  -5.896  -5.896
  770    H    SER 123           H        SER 123   1.976   0.190   0.190
  771    HA   SER 123           HA       SER 123   3.508   1.157   1.157
  772   1HB   SER 123          2HB       SER 123   1.371   2.654   2.654
  773   2HB   SER 123          1HB       SER 123   2.615   3.089   3.089
  774    HG   SER 123           HG       SER 123   1.380   2.083   2.083
  775    H    VAL 124           H        VAL 124   2.877   0.646   0.646
  776    HA   VAL 124           HA       VAL 124   0.427  -0.969  -0.969
  777    HB   VAL 124           HB       VAL 124   3.135  -1.479  -1.479
  778    H    CYS 125           H        CYS 125  -0.825   0.525   0.525
  779    HA   CYS 125           HA       CYS 125   0.275   1.855   1.855
  780   1HB   CYS 125          2HB       CYS 125  -1.449   2.849   2.849
  781   2HB   CYS 125          1HB       CYS 125  -1.825   3.423   3.423
  782    H    ALA 126           H        ALA 126  -0.987   1.991   1.991
  783    HA   ALA 126           HA       ALA 126  -3.538   0.511   0.511
  784   1HB   ALA 126          2HB       ALA 126  -1.112   0.030   0.030
  785   2HB   ALA 126          1HB       ALA 126  -2.701  -0.166  -0.166
  786   3HB   ALA 126          3HB       ALA 126  -2.260  -1.131  -1.131
  787    H    MET 127           H        MET 127  -4.601   0.917   0.917
  788    HA   MET 127           HA       MET 127  -3.937   3.323   3.323
  789   1HB   MET 127          2HB       MET 127  -5.778   4.769   4.769
  790   2HB   MET 127          1HB       MET 127  -4.643   4.418   4.418
  791   1HG   MET 127          2HG       MET 127  -6.183   3.228   3.228
  792   2HG   MET 127          1HG       MET 127  -6.859   2.485   2.485
  793   1HE   MET 127          1HE       MET 127  -7.948   3.645   3.645
  794   2HE   MET 127          3HE       MET 127  -7.770   5.403   5.403
  795   3HE   MET 127          2HE       MET 127  -9.345   4.680   4.680
  796    H    THR 128           H        THR 128  -5.811   4.104   4.104
  797    HA   THR 128           HA       THR 128  -7.808   2.037   2.037
  798    HB   THR 128           HB       THR 128  -6.344   3.019   3.019
  799    HG1  THR 128          1HG       THR 128  -4.536   2.099   2.099
  800    H    PHE 129           H        PHE 129  -9.058   2.864   2.864
  801    HA   PHE 129           HA       PHE 129  -9.346   5.789   5.789
  802   1HB   PHE 129          2HB       PHE 129 -11.831   5.539   5.539
  803   2HB   PHE 129          1HB       PHE 129 -10.999   5.043   5.043
  804    HD1  PHE 129          1HD       PHE 129 -12.551   3.771   3.771
  805    HD2  PHE 129          2HD       PHE 129 -11.133   2.808   2.808
  806    HE1  PHE 129          1HE       PHE 129 -13.558   1.513   1.513
  807    HE2  PHE 129          2HE       PHE 129 -12.141   0.549   0.549
  808    HZ   PHE 129           HZ       PHE 129 -13.353  -0.098  -0.098

  Start of MODEL    2
    1   1H    GLN   1          1HT       GLN   1 -19.522  19.632  19.632
    2   2H    GLN   1          3HT       GLN   1 -19.596  20.265  20.265
    3   3H    GLN   1          2HT       GLN   1 -20.832  19.243  19.243
    4    HA   GLN   1           HA       GLN   1 -19.639  17.778  17.778
    5   1HB   GLN   1          2HB       GLN   1 -17.140  17.831  17.831
    6   2HB   GLN   1          1HB       GLN   1 -17.873  19.329  19.329
    7   1HG   GLN   1          2HG       GLN   1 -17.629  20.099  20.099
    8   2HG   GLN   1          1HG       GLN   1 -16.446  18.796  18.796
    9    H    ARG   2           H        ARG   2 -19.281  15.730  15.730
   10    HA   ARG   2           HA       ARG   2 -18.232  15.320  15.320
   11   1HB   ARG   2          2HB       ARG   2 -20.771  14.028  14.028
   12   2HB   ARG   2          1HB       ARG   2 -20.028  13.774  13.774
   13   1HG   ARG   2          2HG       ARG   2 -20.231  16.382  16.382
   14   2HG   ARG   2          1HG       ARG   2 -21.448  16.205  16.205
   15   1HD   ARG   2          2HD       ARG   2 -22.898  15.043  15.043
   16   2HD   ARG   2          1HD       ARG   2 -21.601  14.340  14.340
   17    HE   ARG   2           HE       ARG   2 -21.594  16.276  16.276
   18   1HH1  ARG   2          1HH2      ARG   2 -24.610  15.990  15.990
   19   2HH1  ARG   2          2HH2      ARG   2 -25.043  17.627  17.627
   20   1HH2  ARG   2          1HH1      ARG   2 -21.774  18.656  18.656
   21   2HH2  ARG   2          2HH1      ARG   2 -23.437  19.137  19.137
   22    H    ALA   3           H        ALA   3 -17.554  13.114  13.114
   23    HA   ALA   3           HA       ALA   3 -17.358  11.289  11.289
   24   1HB   ALA   3          2HB       ALA   3 -14.859  12.528  12.528
   25   2HB   ALA   3          1HB       ALA   3 -14.895  11.192  11.192
   26   3HB   ALA   3          3HB       ALA   3 -15.465  12.788  12.788
   27    H    GLY   4           H        GLY   4 -18.422   9.830   9.830
   28   1HA   GLY   4          2HA       GLY   4 -17.471   9.199   9.199
   29   2HA   GLY   4          1HA       GLY   4 -18.712   8.331   8.331
   30    HA   PRO   5           HA       PRO   5 -14.586   6.031   6.031
   31   1HB   PRO   5          2HB       PRO   5 -14.807   4.319   4.319
   32   2HB   PRO   5          1HB       PRO   5 -14.042   5.912   5.912
   33   1HG   PRO   5          2HG       PRO   5 -16.658   5.017   5.017
   34   2HG   PRO   5          1HG       PRO   5 -15.618   6.342   6.342
   35   1HD   PRO   5          2HD       PRO   5 -17.962   6.562   6.562
   36   2HD   PRO   5          1HD       PRO   5 -16.802   7.857   7.857
   37    H    ASN   6           H        ASN   6 -14.465   3.360   3.360
   38    HA   ASN   6           HA       ASN   6 -15.140   1.318   1.318
   39   1HB   ASN   6          2HB       ASN   6 -17.096   1.731   1.731
   40   2HB   ASN   6          1HB       ASN   6 -17.959   2.404   2.404
   41   1HD2  ASN   6          1HD2      ASN   6 -19.491   0.757   0.757
   42   2HD2  ASN   6          2HD2      ASN   6 -19.074  -0.852  -0.852
   43    H    CYS   7           H        CYS   7 -14.887   0.656   0.656
   44    HA   CYS   7           HA       CYS   7 -15.246   2.371   2.371
   45   1HB   CYS   7          2HB       CYS   7 -14.937  -0.642  -0.642
   46   2HB   CYS   7          1HB       CYS   7 -14.662   0.431   0.431
   47    HA   PRO   8           HA       PRO   8 -19.519   1.500   1.500
   48   1HB   PRO   8          2HB       PRO   8 -19.655   2.511   2.511
   49   2HB   PRO   8          1HB       PRO   8 -19.567   3.516   3.516
   50   1HG   PRO   8          2HG       PRO   8 -17.495   2.984   2.984
   51   2HG   PRO   8          1HG       PRO   8 -17.667   4.359   4.359
   52   1HD   PRO   8          2HD       PRO   8 -15.895   2.142   2.142
   53   2HD   PRO   8          1HD       PRO   8 -16.206   3.429   3.429
   54    H    ALA   9           H        ALA   9 -17.512   0.911   0.911
   55    HA   ALA   9           HA       ALA   9 -18.086  -1.876  -1.876
   56   1HB   ALA   9          2HB       ALA   9 -20.291  -0.689  -0.689
   57   2HB   ALA   9          1HB       ALA   9 -19.410  -0.364  -0.364
   58   3HB   ALA   9          3HB       ALA   9 -19.672  -2.027  -2.027
   59    H    GLY  10           H        GLY  10 -17.317   1.039   1.039
   60   1HA   GLY  10          2HA       GLY  10 -15.695  -0.344  -0.344
   61   2HA   GLY  10          1HA       GLY  10 -15.797   1.401   1.401
   62    H    TRP  11           H        TRP  11 -14.521  -1.500  -1.500
   63    HA   TRP  11           HA       TRP  11 -11.995  -0.088  -0.088
   64   1HB   TRP  11          2HB       TRP  11 -13.931  -0.752  -0.752
   65   2HB   TRP  11          1HB       TRP  11 -12.360  -1.485  -1.485
   66    HD1  TRP  11           HD       TRP  11 -14.080   1.895   1.895
   67    HE1  TRP  11          1HE       TRP  11 -12.528   3.740   3.740
   68    HE3  TRP  11          3HE       TRP  11  -9.848  -0.843  -0.843
   69    HZ2  TRP  11          2HZ       TRP  11  -9.850   4.021   4.021
   70    HZ3  TRP  11          3HZ       TRP  11  -7.817   0.240   0.240
   71    HH2  TRP  11           HH       TRP  11  -7.808   2.666   2.666
   72    H    GLN  12           H        GLN  12 -10.683  -1.934  -1.934
   73    HA   GLN  12           HA       GLN  12 -10.951  -4.486  -4.486
   74   1HB   GLN  12          2HB       GLN  12  -8.660  -2.624  -2.624
   75   2HB   GLN  12          1HB       GLN  12  -8.252  -4.313  -4.313
   76   1HG   GLN  12          2HG       GLN  12  -9.698  -4.883  -4.883
   77   2HG   GLN  12          1HG       GLN  12  -9.745  -3.154  -3.154
   78    HA   PRO  13           HA       PRO  13 -10.293  -4.853  -4.853
   79   1HB   PRO  13          2HB       PRO  13 -12.666  -6.057  -6.057
   80   2HB   PRO  13          1HB       PRO  13 -12.428  -4.304  -4.304
   81   1HG   PRO  13          2HG       PRO  13 -13.842  -6.043  -6.043
   82   2HG   PRO  13          1HG       PRO  13 -14.108  -4.338  -4.338
   83   1HD   PRO  13          2HD       PRO  13 -12.742  -5.335  -5.335
   84   2HD   PRO  13          1HD       PRO  13 -12.743  -3.649  -3.649
   85    H    LEU  14           H        LEU  14  -9.153  -6.548  -6.548
   86    HA   LEU  14           HA       LEU  14  -8.883  -8.955  -8.955
   87   1HB   LEU  14          2HB       LEU  14  -7.421  -7.768  -7.768
   88   2HB   LEU  14          1HB       LEU  14  -8.234  -9.004  -9.004
   89    HG   LEU  14           HG       LEU  14  -7.121  -9.893  -9.893
   90   1HD1  LEU  14          2HD1      LEU  14  -5.399  -8.317  -8.317
   91   2HD1  LEU  14          1HD1      LEU  14  -5.294  -9.475  -9.475
   92   3HD1  LEU  14          3HD1      LEU  14  -4.851  -9.966  -9.966
   93   1HD2  LEU  14          2HD2      LEU  14  -8.268 -11.395 -11.395
   94   2HD2  LEU  14          1HD2      LEU  14  -6.601 -11.885 -11.885
   95   3HD2  LEU  14          3HD2      LEU  14  -7.012 -11.030 -11.030
   96    H    GLY  15           H        GLY  15 -10.159  -8.608  -8.608
   97   1HA   GLY  15          2HA       GLY  15 -12.353 -10.439 -10.439
   98   2HA   GLY  15          1HA       GLY  15 -11.200 -10.980 -10.980
   99    H    ASP  16           H        ASP  16 -10.663  -8.701  -8.701
  100    HA   ASP  16           HA       ASP  16 -13.282  -7.685  -7.685
  101   1HB   ASP  16          2HB       ASP  16 -12.524  -7.972  -7.972
  102   2HB   ASP  16          1HB       ASP  16 -12.778  -9.499  -9.499
  103    H    ARG  17           H        ARG  17 -11.176  -6.484  -6.484
  104    HA   ARG  17           HA       ARG  17 -10.760  -4.085  -4.085
  105   1HB   ARG  17          2HB       ARG  17  -8.410  -5.422  -5.422
  106   2HB   ARG  17          1HB       ARG  17  -8.374  -3.964  -3.964
  107   1HG   ARG  17          2HG       ARG  17  -9.261  -5.380  -5.380
  108   2HG   ARG  17          1HG       ARG  17  -8.948  -6.793  -6.793
  109   1HD   ARG  17          2HD       ARG  17  -6.666  -6.569  -6.569
  110   2HD   ARG  17          1HD       ARG  17  -6.740  -4.815  -4.815
  111    HE   ARG  17           HE       ARG  17  -7.335  -6.679  -6.679
  112   1HH1  ARG  17          1HH2      ARG  17  -4.700  -5.045  -5.045
  113   2HH1  ARG  17          2HH2      ARG  17  -4.914  -3.786  -3.786
  114   1HH2  ARG  17          1HH1      ARG  17  -8.287  -4.437  -4.437
  115   2HH2  ARG  17          2HH1      ARG  17  -6.945  -3.441  -3.441
  116    H    CYS  18           H        CYS  18  -9.072  -2.746  -2.746
  117    HA   CYS  18           HA       CYS  18 -10.359  -2.896  -2.896
  118   1HB   CYS  18          2HB       CYS  18 -10.434  -0.618  -0.618
  119   2HB   CYS  18          1HB       CYS  18 -10.149  -0.226  -0.226
  120    H    ILE  19           H        ILE  19  -8.803  -3.037  -3.037
  121    HA   ILE  19           HA       ILE  19  -6.328  -1.498  -1.498
  122    HB   ILE  19           HB       ILE  19  -5.855  -3.740  -3.740
  123   1HD1  ILE  19          1HD1      ILE  19  -3.722  -4.754  -4.754
  124   2HD1  ILE  19          3HD1      ILE  19  -4.006  -5.510  -5.510
  125   3HD1  ILE  19          2HD1      ILE  19  -2.644  -4.412  -4.412
  126    H    TYR  20           H        TYR  20  -5.039  -1.363  -1.363
  127    HA   TYR  20           HA       TYR  20  -6.574  -1.770  -1.770
  128   1HB   TYR  20          2HB       TYR  20  -5.483   0.787   0.787
  129   2HB   TYR  20          1HB       TYR  20  -5.382   0.529   0.529
  130    HD1  TYR  20          2HD       TYR  20  -7.986  -1.010  -1.010
  131    HD2  TYR  20          1HD       TYR  20  -7.078   2.474   2.474
  132    HE1  TYR  20          2HE       TYR  20 -10.317  -0.222  -0.222
  133    HE2  TYR  20          1HE       TYR  20  -9.410   3.257   3.257
  134    HH   TYR  20           HH       TYR  20 -11.440   2.252   2.252
  135    H    TYR  21           H        TYR  21  -5.088  -1.257  -1.257
  136    HA   TYR  21           HA       TYR  21  -2.264  -1.491  -1.491
  137   1HB   TYR  21          2HB       TYR  21  -3.460  -3.921  -3.921
  138   2HB   TYR  21          1HB       TYR  21  -3.216  -3.876  -3.876
  139    HD1  TYR  21          2HD       TYR  21  -0.925  -3.667  -3.667
  140    HD2  TYR  21          1HD       TYR  21  -1.591  -3.982  -3.982
  141    HE1  TYR  21          2HE       TYR  21   1.473  -4.172  -4.172
  142    HE2  TYR  21          1HE       TYR  21   0.812  -4.491  -4.491
  143    HH   TYR  21           HH       TYR  21   2.848  -5.425  -5.425
  144    H    GLU  22           H        GLU  22  -1.130  -1.501  -1.501
  145    HA   GLU  22           HA       GLU  22  -2.810  -0.950  -0.950
  146   1HB   GLU  22          2HB       GLU  22  -0.732   0.885   0.885
  147   2HB   GLU  22          1HB       GLU  22  -1.177   0.965   0.965
  148   1HG   GLU  22          2HG       GLU  22  -3.276   1.786   1.786
  149   2HG   GLU  22          1HG       GLU  22  -3.413   0.907   0.907
  150    H    THR  23           H        THR  23  -1.216  -0.549  -0.549
  151    HA   THR  23           HA       THR  23   1.095  -2.362  -2.362
  152    HB   THR  23           HB       THR  23   0.294  -3.211  -3.211
  153    HG1  THR  23          1HG       THR  23  -1.624  -2.578  -2.578
  154    H    THR  24           H        THR  24   0.727   0.559   0.559
  155    HA   THR  24           HA       THR  24   2.058   0.984   0.984
  156    HB   THR  24           HB       THR  24   0.784   3.223   3.223
  157    HG1  THR  24          1HG       THR  24  -0.825   1.648   1.648
  158    H    ALA  25           H        ALA  25   4.072   1.870   1.870
  159    HA   ALA  25           HA       ALA  25   5.531   1.857   1.857
  160   1HB   ALA  25          3HB       ALA  25   6.261   1.937   1.937
  161   2HB   ALA  25          2HB       ALA  25   6.562   3.615   3.615
  162   3HB   ALA  25          1HB       ALA  25   7.349   2.305   2.305
  163    H    MET  26           H        MET  26   4.804   3.054   3.054
  164    HA   MET  26           HA       MET  26   5.175   5.947   5.947
  165   1HB   MET  26          2HB       MET  26   3.135   6.266   6.266
  166   2HB   MET  26          1HB       MET  26   2.826   5.951   5.951
  167   1HG   MET  26          2HG       MET  26   1.966   3.850   3.850
  168   2HG   MET  26          1HG       MET  26   2.987   3.585   3.585
  169   1HE   MET  26          2HE       MET  26   0.482   6.038   6.038
  170   2HE   MET  26          1HE       MET  26  -0.542   4.614   4.614
  171   3HE   MET  26          3HE       MET  26  -0.861   6.053   6.053
  172    H    THR  27           H        THR  27   6.836   6.064   6.064
  173    HA   THR  27           HA       THR  27   7.239   4.399   4.399
  174    HB   THR  27           HB       THR  27   8.711   6.259   6.259
  175    HG1  THR  27          1HG       THR  27   9.611   4.496   4.496
  176    H    TRP  28           H        TRP  28   7.934   5.452   5.452
  177    HA   TRP  28           HA       TRP  28   6.148   6.156   6.156
  178   1HB   TRP  28          2HB       TRP  28   8.906   6.481   6.481
  179   2HB   TRP  28          1HB       TRP  28   8.340   8.057   8.057
  180    HD1  TRP  28           HD       TRP  28   8.988   4.562   4.562
  181    HE1  TRP  28          1HE       TRP  28   8.540   4.247   4.247
  182    HE3  TRP  28          3HE       TRP  28   6.701   8.992   8.992
  183    HZ2  TRP  28          2HZ       TRP  28   7.355   5.710   5.710
  184    HZ3  TRP  28          3HZ       TRP  28   5.923   9.517   9.517
  185    HH2  TRP  28           HH       TRP  28   6.246   7.884   7.884
  186    H    ALA  29           H        ALA  29   7.752   8.721   8.721
  187    HA   ALA  29           HA       ALA  29   6.337  10.918  10.918
  188   1HB   ALA  29          3HB       ALA  29   8.347  10.911  10.911
  189   2HB   ALA  29          2HB       ALA  29   7.225  10.585  10.585
  190   3HB   ALA  29          1HB       ALA  29   7.089  12.082  12.082
  191    H    LEU  30           H        LEU  30   5.553   8.831   8.831
  192    HA   LEU  30           HA       LEU  30   3.053  10.267  10.267
  193   1HB   LEU  30          2HB       LEU  30   4.300   7.847   7.847
  194   2HB   LEU  30          1HB       LEU  30   2.691   8.438   8.438
  195    HG   LEU  30           HG       LEU  30   4.952  10.398  10.398
  196   1HD1  LEU  30          1HD1      LEU  30   4.638   8.116   8.116
  197   2HD1  LEU  30          3HD1      LEU  30   5.013   9.690   9.690
  198   3HD1  LEU  30          2HD1      LEU  30   6.097   8.977   8.977
  199   1HD2  LEU  30          1HD2      LEU  30   2.323  10.650  10.650
  200   2HD2  LEU  30          3HD2      LEU  30   3.539  11.649  11.649
  201   3HD2  LEU  30          2HD2      LEU  30   2.885  10.233  10.233
  202    H    ALA  31           H        ALA  31   4.136   7.246   7.246
  203    HA   ALA  31           HA       ALA  31   1.584   6.031   6.031
  204   1HB   ALA  31          2HB       ALA  31   4.151   5.597   5.597
  205   2HB   ALA  31          1HB       ALA  31   2.728   4.563   4.563
  206   3HB   ALA  31          3HB       ALA  31   3.607   4.696   4.696
  207    H    GLU  32           H        GLU  32   3.657   7.151   7.151
  208    HA   GLU  32           HA       GLU  32   1.729   7.222   7.222
  209   1HB   GLU  32          2HB       GLU  32   4.315   7.636   7.636
  210   2HB   GLU  32          1HB       GLU  32   3.846   9.334   9.334
  211   1HG   GLU  32          2HG       GLU  32   2.303   7.684   7.684
  212   2HG   GLU  32          1HG       GLU  32   3.991   7.973   7.973
  213    H    THR  33           H        THR  33   2.693   9.944   9.944
  214    HA   THR  33           HA       THR  33   1.023  11.880  11.880
  215    HB   THR  33           HB       THR  33   1.827  11.664  11.664
  216    HG1  THR  33          1HG       THR  33   3.582  12.892  12.892
  217    H    ASN  34           H        ASN  34   0.392   9.823   9.823
  218    HA   ASN  34           HA       ASN  34  -2.279  10.665  10.665
  219   1HB   ASN  34          2HB       ASN  34  -0.795   8.162   8.162
  220   2HB   ASN  34          1HB       ASN  34  -2.499   8.398   8.398
  221   1HD2  ASN  34          1HD2      ASN  34   0.043   8.404   8.404
  222   2HD2  ASN  34          2HD2      ASN  34  -0.077   9.853   9.853
  223    H    CYS  35           H        CYS  35  -0.823   8.157   8.157
  224    HA   CYS  35           HA       CYS  35  -3.203   6.814   6.814
  225   1HB   CYS  35          2HB       CYS  35  -0.667   6.183   6.183
  226   2HB   CYS  35          1HB       CYS  35  -0.892   7.027   7.027
  227    H    MET  36           H        MET  36  -1.558   9.663   9.663
  228    HA   MET  36           HA       MET  36  -2.872   9.927   9.927
  229   1HB   MET  36          2HB       MET  36  -0.893  11.293  11.293
  230   2HB   MET  36          1HB       MET  36  -2.147  12.306  12.306
  231   1HG   MET  36          2HG       MET  36  -1.609  13.288  13.288
  232   2HG   MET  36          1HG       MET  36  -3.171  12.492  12.492
  233   1HE   MET  36          1HE       MET  36  -3.004  12.800  12.800
  234   2HE   MET  36          3HE       MET  36  -3.359  11.108  11.108
  235   3HE   MET  36          2HE       MET  36  -2.042  11.939  11.939
  236    H    LYS  37           H        LYS  37  -3.826  10.853  10.853
  237    HA   LYS  37           HA       LYS  37  -6.055  12.453  12.453
  238   1HB   LYS  37          2HB       LYS  37  -5.307  10.855  10.855
  239   2HB   LYS  37          1HB       LYS  37  -6.872  11.663  11.663
  240   1HG   LYS  37          2HG       LYS  37  -4.282  13.121  13.121
  241   2HG   LYS  37          1HG       LYS  37  -4.962  13.003  13.003
  242   1HD   LYS  37          2HD       LYS  37  -6.731  14.385  14.385
  243   2HD   LYS  37          1HD       LYS  37  -6.812  13.859  13.859
  244   1HE   LYS  37          2HE       LYS  37  -5.274  15.406  15.406
  245   2HE   LYS  37          1HE       LYS  37  -4.359  15.332  15.332
  246   1HZ   LYS  37          1HZ       LYS  37  -7.050  16.552  16.552
  247   2HZ   LYS  37          3HZ       LYS  37  -5.629  17.444  17.444
  248   3HZ   LYS  37          2HZ       LYS  37  -5.913  16.700  16.700
  249    H    LEU  38           H        LEU  38  -5.610   8.986   8.986
  250    HA   LEU  38           HA       LEU  38  -8.408   8.334   8.334
  251   1HB   LEU  38          2HB       LEU  38  -5.903   6.705   6.705
  252   2HB   LEU  38          1HB       LEU  38  -7.524   6.021   6.021
  253    HG   LEU  38           HG       LEU  38  -6.550   7.528   7.528
  254   1HD1  LEU  38          2HD1      LEU  38  -5.317   5.312   5.312
  255   2HD1  LEU  38          1HD1      LEU  38  -6.814   4.535   4.535
  256   3HD1  LEU  38          3HD1      LEU  38  -5.893   5.513   5.513
  257   1HD2  LEU  38          3HD2      LEU  38  -8.991   5.960   5.960
  258   2HD2  LEU  38          2HD2      LEU  38  -8.878   7.483   7.483
  259   3HD2  LEU  38          1HD2      LEU  38  -8.479   5.965   5.965
  260    H    GLY  39           H        GLY  39  -5.753   8.308   8.308
  261   1HA   GLY  39          2HA       GLY  39  -6.561   9.285   9.285
  262   2HA   GLY  39          1HA       GLY  39  -7.745   7.983   7.983
  263    H    GLY  40           H        GLY  40  -6.130   5.949   5.949
  264   1HA   GLY  40          2HA       GLY  40  -4.829   5.024   5.024
  265   2HA   GLY  40          1HA       GLY  40  -4.842   4.211   4.211
  266    H    HIS  41           H        HIS  41  -2.686   3.677   3.677
  267    HA   HIS  41           HA       HIS  41  -0.864   5.533   5.533
  268   1HB   HIS  41          2HB       HIS  41   0.750   5.663   5.663
  269   2HB   HIS  41          1HB       HIS  41  -0.753   6.534   6.534
  270    HD1  HIS  41          1HD       HIS  41   0.653   3.039   3.039
  271    HD2  HIS  41          2HD       HIS  41  -1.923   5.817   5.817
  272    HE1  HIS  41          1HE       HIS  41  -0.073   2.051   2.051
  273    H    LEU  42           H        LEU  42   1.557   4.528   4.528
  274    HA   LEU  42           HA       LEU  42   1.592   2.041   2.041
  275   1HB   LEU  42          2HB       LEU  42   3.710   3.329   3.329
  276   2HB   LEU  42          1HB       LEU  42   3.977   1.905   1.905
  277    HG   LEU  42           HG       LEU  42   3.033   4.595   4.595
  278   1HD1  LEU  42          1HD1      LEU  42   5.732   3.365   3.365
  279   2HD1  LEU  42          3HD1      LEU  42   5.445   4.267   4.267
  280   3HD1  LEU  42          2HD1      LEU  42   5.253   5.059   5.059
  281   1HD2  LEU  42          3HD2      LEU  42   3.814   1.990   1.990
  282   2HD2  LEU  42          2HD2      LEU  42   2.252   2.806   2.806
  283   3HD2  LEU  42          1HD2      LEU  42   3.658   3.519   3.519
  284    H    ALA  43           H        ALA  43   0.814   0.200   0.200
  285    HA   ALA  43           HA       ALA  43   0.202  -0.383  -0.383
  286   1HB   ALA  43          3HB       ALA  43  -0.443  -1.562  -1.562
  287   2HB   ALA  43          2HB       ALA  43   0.854  -2.649  -2.649
  288   3HB   ALA  43          1HB       ALA  43  -0.545  -2.407  -2.407
  289    H    SER  44           H        SER  44   1.095  -2.241  -2.241
  290    HA   SER  44           HA       SER  44   4.015  -2.526  -2.526
  291   1HB   SER  44          2HB       SER  44   3.562  -0.776  -0.776
  292   2HB   SER  44          1HB       SER  44   2.603  -1.943  -1.943
  293    HG   SER  44           HG       SER  44   5.276  -1.610  -1.610
  294    H    ILE  45           H        ILE  45   1.110  -3.620  -3.620
  295    HA   ILE  45           HA       ILE  45   0.392  -5.722  -5.722
  296    HB   ILE  45           HB       ILE  45   2.492  -6.891  -6.891
  297   1HD1  ILE  45          3HD1      ILE  45   1.982  -7.366  -7.366
  298   2HD1  ILE  45          2HD1      ILE  45   0.240  -7.610  -7.610
  299   3HD1  ILE  45          1HD1      ILE  45   1.002  -6.256  -6.256
  300    H    HIS  46           H        HIS  46   1.075  -7.695  -7.695
  301    HA   HIS  46           HA       HIS  46   3.677  -7.301  -7.301
  302   1HB   HIS  46          2HB       HIS  46   0.972  -8.023  -8.023
  303   2HB   HIS  46          1HB       HIS  46   2.404  -8.665  -8.665
  304    HD1  HIS  46          1HD       HIS  46   1.591  -5.229  -5.229
  305    HD2  HIS  46          2HD       HIS  46   3.034  -6.936  -6.936
  306    HE1  HIS  46          1HE       HIS  46   2.121  -3.307  -3.307
  307    H    SER  47           H        SER  47   1.351  -9.625  -9.625
  308    HA   SER  47           HA       SER  47   2.893 -11.948 -11.948
  309   1HB   SER  47          2HB       SER  47   0.482 -11.381 -11.381
  310   2HB   SER  47          1HB       SER  47   1.364 -12.876 -12.876
  311    HG   SER  47           HG       SER  47  -0.376 -12.827 -12.827
  312    H    GLN  48           H        GLN  48   3.270 -13.464 -13.464
  313    HA   GLN  48           HA       GLN  48   5.057 -11.902 -11.902
  314   1HB   GLN  48          2HB       GLN  48   5.267 -14.749 -14.749
  315   2HB   GLN  48          1HB       GLN  48   6.261 -14.108 -14.108
  316   1HG   GLN  48          2HG       GLN  48   7.499 -12.783 -12.783
  317   2HG   GLN  48          1HG       GLN  48   6.139 -12.476 -12.476
  318    H    GLU  49           H        GLU  49   2.717 -14.550 -14.550
  319    HA   GLU  49           HA       GLU  49   2.756 -15.218 -15.218
  320   1HB   GLU  49          2HB       GLU  49   0.658 -15.490 -15.490
  321   2HB   GLU  49          1HB       GLU  49   0.326 -15.962 -15.962
  322   1HG   GLU  49          2HG       GLU  49   2.226 -17.507 -17.507
  323   2HG   GLU  49          1HG       GLU  49   2.638 -17.000 -17.000
  324    H    GLU  50           H        GLU  50   1.158 -12.688 -12.688
  325    HA   GLU  50           HA       GLU  50  -0.581 -11.825 -11.825
  326   1HB   GLU  50          2HB       GLU  50   0.508 -10.487 -10.487
  327   2HB   GLU  50          1HB       GLU  50  -0.481  -9.605  -9.605
  328   1HG   GLU  50          2HG       GLU  50  -2.014 -11.802 -11.802
  329   2HG   GLU  50          1HG       GLU  50  -1.254 -11.784 -11.784
  330    H    HIS  51           H        HIS  51   2.783 -11.244 -11.244
  331    HA   HIS  51           HA       HIS  51   3.215  -9.038  -9.038
  332   1HB   HIS  51          2HB       HIS  51   4.768 -10.187 -10.187
  333   2HB   HIS  51          1HB       HIS  51   5.401 -11.019 -11.019
  334    HD1  HIS  51          1HD       HIS  51   4.979  -8.595  -8.595
  335    HD2  HIS  51          2HD       HIS  51   6.910  -8.370  -8.370
  336    HE1  HIS  51          1HE       HIS  51   6.507  -6.578  -6.578
  337    H    SER  52           H        SER  52   3.480 -12.561 -12.561
  338    HA   SER  52           HA       SER  52   4.431 -12.679 -12.679
  339   1HB   SER  52          2HB       SER  52   4.008 -14.591 -14.591
  340   2HB   SER  52          1HB       SER  52   2.400 -14.645 -14.645
  341    HG   SER  52           HG       SER  52   3.633 -16.009 -16.009
  342    H    PHE  53           H        PHE  53   1.207 -12.225 -12.225
  343    HA   PHE  53           HA       PHE  53  -0.326 -12.584 -12.584
  344   1HB   PHE  53          2HB       PHE  53  -1.131 -12.403 -12.403
  345   2HB   PHE  53          1HB       PHE  53  -0.935 -10.659 -10.659
  346    HD1  PHE  53          2HD       PHE  53  -2.565 -13.593 -13.593
  347    HD2  PHE  53          1HD       PHE  53  -2.517  -9.359  -9.359
  348    HE1  PHE  53          2HE       PHE  53  -4.789 -13.449 -13.449
  349    HE2  PHE  53          1HE       PHE  53  -4.729  -9.188  -9.188
  350    HZ   PHE  53           HZ       PHE  53  -5.899 -11.237 -11.237
  351    H    ILE  54           H        ILE  54   1.178  -9.632  -9.632
  352    HA   ILE  54           HA       ILE  54   0.002  -7.931  -7.931
  353    HB   ILE  54           HB       ILE  54   1.515  -6.205  -6.205
  354   1HD1  ILE  54          3HD1      ILE  54   2.754  -5.502  -5.502
  355   2HD1  ILE  54          2HD1      ILE  54   4.024  -6.506  -6.506
  356   3HD1  ILE  54          1HD1      ILE  54   4.156  -5.955  -5.955
  357    H    GLN  55           H        GLN  55   2.629 -10.107 -10.107
  358    HA   GLN  55           HA       GLN  55   3.602  -8.530  -8.530
  359   1HB   GLN  55          2HB       GLN  55   5.591  -8.513  -8.513
  360   2HB   GLN  55          1HB       GLN  55   5.068  -9.658  -9.658
  361   1HG   GLN  55          2HG       GLN  55   5.976 -10.476 -10.476
  362   2HG   GLN  55          1HG       GLN  55   7.068 -10.369 -10.369
  363    H    THR  56           H        THR  56   2.786 -11.740 -11.740
  364    HA   THR  56           HA       THR  56   3.391 -13.101 -13.101
  365    HB   THR  56           HB       THR  56   1.566 -14.043 -14.043
  366    HG1  THR  56          1HG       THR  56   3.386 -14.828 -14.828
  367    H    LEU  57           H        LEU  57   0.917 -10.947 -10.947
  368    HA   LEU  57           HA       LEU  57  -0.942 -12.331 -12.331
  369   1HB   LEU  57          2HB       LEU  57  -1.364 -10.526 -10.526
  370   2HB   LEU  57          1HB       LEU  57  -2.554 -10.531 -10.531
  371    HG   LEU  57           HG       LEU  57  -2.267 -13.188 -13.188
  372   1HD1  LEU  57          1HD1      LEU  57  -0.586 -12.867 -12.867
  373   2HD1  LEU  57          3HD1      LEU  57  -1.835 -12.075 -12.075
  374   3HD1  LEU  57          2HD1      LEU  57  -2.004 -13.774 -13.774
  375   1HD2  LEU  57          1HD2      LEU  57  -4.368 -11.850 -11.850
  376   2HD2  LEU  57          3HD2      LEU  57  -4.299 -13.133 -13.133
  377   3HD2  LEU  57          2HD2      LEU  57  -3.969 -11.464 -11.464
  378    H    ASN  58           H        ASN  58  -0.681  -8.943  -8.943
  379    HA   ASN  58           HA       ASN  58  -1.369  -7.970  -7.970
  380   1HB   ASN  58          2HB       ASN  58  -0.161  -6.554  -6.554
  381   2HB   ASN  58          1HB       ASN  58  -0.790  -5.749  -5.749
  382   1HD2  ASN  58          1HD2      ASN  58  -1.706  -7.550  -7.550
  383   2HD2  ASN  58          2HD2      ASN  58  -3.374  -7.262  -7.262
  384    H    ALA  59           H        ALA  59   1.482  -6.422  -6.422
  385    HA   ALA  59           HA       ALA  59   3.455  -7.662  -7.662
  386   1HB   ALA  59          2HB       ALA  59   1.486  -6.336  -6.336
  387   2HB   ALA  59          1HB       ALA  59   3.024  -5.496  -5.496
  388   3HB   ALA  59          3HB       ALA  59   2.921  -7.225  -7.225
  389    H    GLY  60           H        GLY  60   4.846  -5.682  -5.682
  390   1HA   GLY  60          2HA       GLY  60   6.427  -4.076  -4.076
  391   2HA   GLY  60          1HA       GLY  60   5.082  -3.199  -3.199
  392    H    VAL  61           H        VAL  61   6.930  -2.400  -2.400
  393    HA   VAL  61           HA       VAL  61   7.646  -4.333  -4.333
  394    HB   VAL  61           HB       VAL  61   8.696  -1.522  -1.522
  395    H    VAL  62           H        VAL  62   7.632  -3.356  -3.356
  396    HA   VAL  62           HA       VAL  62   5.275  -1.604  -1.604
  397    HB   VAL  62           HB       VAL  62   6.067  -3.896  -3.896
  398    H    TRP  63           H        TRP  63   6.263   0.256   0.256
  399    HA   TRP  63           HA       TRP  63   8.683   0.569   0.569
  400   1HB   TRP  63          2HB       TRP  63   6.355   2.424   2.424
  401   2HB   TRP  63          1HB       TRP  63   7.786   2.925   2.925
  402    HD1  TRP  63           HD       TRP  63   6.480   2.606   2.606
  403    HE1  TRP  63          1HE       TRP  63   8.359   2.983   2.983
  404    HE3  TRP  63          3HE       TRP  63  10.568   2.374   2.374
  405    HZ2  TRP  63          2HZ       TRP  63  11.209   3.159   3.159
  406    HZ3  TRP  63          3HZ       TRP  63  12.843   2.655   2.655
  407    HH2  TRP  63           HH       TRP  63  13.169   3.038   3.038
  408    H    ILE  64           H        ILE  64   9.211   0.435   0.435
  409    HA   ILE  64           HA       ILE  64   7.304   1.024   1.024
  410    HB   ILE  64           HB       ILE  64   6.762  -1.330  -1.330
  411   1HD1  ILE  64          1HD1      ILE  64   5.301  -1.781  -1.781
  412   2HD1  ILE  64          3HD1      ILE  64   5.631  -1.126  -1.126
  413   3HD1  ILE  64          2HD1      ILE  64   5.554  -0.048  -0.048
  414    H    GLY  65           H        GLY  65   9.309   2.594   2.594
  415   1HA   GLY  65          2HA       GLY  65  11.162   1.704   1.704
  416   2HA   GLY  65          1HA       GLY  65  11.856   2.274   2.274
  417    H    GLY  66           H        GLY  66  12.570   3.487   3.487
  418   1HA   GLY  66          2HA       GLY  66  10.939   5.783   5.783
  419   2HA   GLY  66          1HA       GLY  66  12.567   5.458   5.458
  420    H    SER  67           H        SER  67  13.577   7.379   7.379
  421    HA   SER  67           HA       SER  67  13.971   8.008   8.008
  422   1HB   SER  67          2HB       SER  67  12.083   9.442   9.442
  423   2HB   SER  67          1HB       SER  67  13.184  10.145  10.145
  424    HG   SER  67           HG       SER  67  12.843  10.939  10.939
  425    H    ALA  68           H        ALA  68  16.039   8.266   8.266
  426    HA   ALA  68           HA       ALA  68  17.779   9.710   9.710
  427   1HB   ALA  68          2HB       ALA  68  17.853   6.751   6.751
  428   2HB   ALA  68          1HB       ALA  68  19.409   7.586   7.586
  429   3HB   ALA  68          3HB       ALA  68  18.349   7.791   7.791
  430    H    CYS  69           H        CYS  69  17.855  11.088  11.088
  431    HA   CYS  69           HA       CYS  69  19.280  10.002  10.002
  432   1HB   CYS  69          2HB       CYS  69  17.422  12.292  12.292
  433   2HB   CYS  69          1HB       CYS  69  18.671  12.476  12.476
  434    H    LEU  70           H        LEU  70  19.547  12.258  12.258
  435    HA   LEU  70           HA       LEU  70  22.303  12.872  12.872
  436   1HB   LEU  70          2HB       LEU  70  20.143  14.723  14.723
  437   2HB   LEU  70          1HB       LEU  70  21.808  15.080  15.080
  438    HG   LEU  70           HG       LEU  70  22.233  14.543  14.543
  439   1HD1  LEU  70          2HD1      LEU  70  19.701  14.088  14.088
  440   2HD1  LEU  70          1HD1      LEU  70  19.503  15.835  15.835
  441   3HD1  LEU  70          3HD1      LEU  70  20.427  15.150  15.150
  442   1HD2  LEU  70          2HD2      LEU  70  21.323  17.079  17.079
  443   2HD2  LEU  70          1HD2      LEU  70  22.948  16.623  16.623
  444   3HD2  LEU  70          3HD2      LEU  70  21.738  17.082  17.082
  445    H    GLN  71           H        GLN  71  21.453  10.767  10.767
  446    HA   GLN  71           HA       GLN  71  22.775  11.638  11.638
  447   1HB   GLN  71          2HB       GLN  71  20.194  10.137  10.137
  448   2HB   GLN  71          1HB       GLN  71  21.220   9.844   9.844
  449   1HG   GLN  71          2HG       GLN  71  20.910  11.971  11.971
  450   2HG   GLN  71          1HG       GLN  71  20.656  12.682  12.682
  451    H    ALA  72           H        ALA  72  24.665  10.611  10.611
  452    HA   ALA  72           HA       ALA  72  25.064   8.094   8.094
  453   1HB   ALA  72          3HB       ALA  72  26.772   9.960   9.960
  454   2HB   ALA  72          2HB       ALA  72  27.323   8.301   8.301
  455   3HB   ALA  72          1HB       ALA  72  27.015   9.336   9.336
  456    H    GLY  73           H        GLY  73  23.518   6.762   6.762
  457   1HA   GLY  73          2HA       GLY  73  23.006   5.061   5.061
  458   2HA   GLY  73          1HA       GLY  73  24.615   5.260   5.260
  459    H    ALA  74           H        ALA  74  21.771   7.399   7.399
  460    HA   ALA  74           HA       ALA  74  21.433   7.360   7.360
  461   1HB   ALA  74          2HB       ALA  74  23.198   9.185   9.185
  462   2HB   ALA  74          1HB       ALA  74  21.733  10.083  10.083
  463   3HB   ALA  74          3HB       ALA  74  22.014   9.541   9.541
  464    H    TRP  75           H        TRP  75  19.394   6.496   6.496
  465    HA   TRP  75           HA       TRP  75  17.353   8.439   8.439
  466   1HB   TRP  75          2HB       TRP  75  16.515   7.791   7.791
  467   2HB   TRP  75          1HB       TRP  75  18.179   8.327   8.327
  468    HD1  TRP  75           HD       TRP  75  19.759   5.739   5.739
  469    HE1  TRP  75          1HE       TRP  75  19.715   3.705   3.705
  470    HE3  TRP  75          3HE       TRP  75  15.445   6.692   6.692
  471    HZ2  TRP  75          2HZ       TRP  75  18.070   2.635   2.635
  472    HZ3  TRP  75          3HZ       TRP  75  14.668   5.167   5.167
  473    HH2  TRP  75           HH       TRP  75  15.977   3.148   3.148
  474    H    THR  76           H        THR  76  15.353   6.676   6.676
  475    HA   THR  76           HA       THR  76  15.395   4.367   4.367
  476    HB   THR  76           HB       THR  76  14.362   6.132   6.132
  477    HG1  THR  76          1HG       THR  76  12.759   4.882   4.882
  478    H    TRP  77           H        TRP  77  13.223   3.150   3.150
  479    HA   TRP  77           HA       TRP  77  13.023   2.276   2.276
  480   1HB   TRP  77          2HB       TRP  77  12.066   1.451   1.451
  481   2HB   TRP  77          1HB       TRP  77  10.742   1.391   1.391
  482    HD1  TRP  77           HD       TRP  77  12.736  -1.014  -1.014
  483    HE1  TRP  77          1HE       TRP  77  13.540  -2.823  -2.823
  484    HE3  TRP  77          3HE       TRP  77  11.983   1.429   1.429
  485    HZ2  TRP  77          2HZ       TRP  77  13.816  -3.185  -3.185
  486    HZ3  TRP  77          3HZ       TRP  77  12.522   0.332   0.332
  487    HH2  TRP  77           HH       TRP  77  13.437  -1.968  -1.968
  488    H    SER  78           H        SER  78  10.341   1.868   1.868
  489    HA   SER  78           HA       SER  78   9.521   4.256   4.256
  490   1HB   SER  78          2HB       SER  78   8.466   1.579   1.579
  491   2HB   SER  78          1HB       SER  78   7.178   2.772   2.772
  492    HG   SER  78           HG       SER  78   7.369   3.082   3.082
  493    H    ASP  79           H        ASP  79   8.389   2.747   2.747
  494    HA   ASP  79           HA       ASP  79   7.770   5.368   5.368
  495   1HB   ASP  79          2HB       ASP  79   5.424   4.711   4.711
  496   2HB   ASP  79          1HB       ASP  79   5.689   4.938   4.938
  497    H    GLY  80           H        GLY  80   9.585   3.173   3.173
  498   1HA   GLY  80          2HA       GLY  80  10.439   2.506   2.506
  499   2HA   GLY  80          1HA       GLY  80   8.865   2.825   2.825
  500    H    THR  81           H        THR  81   9.292   0.941   0.941
  501    HA   THR  81           HA       THR  81   7.871  -1.290  -1.290
  502    HB   THR  81           HB       THR  81   9.144  -2.087  -2.087
  503    HG1  THR  81          1HG       THR  81   8.003   0.498   0.498
  504    HA   PRO  82           HA       PRO  82  11.285  -3.805  -3.805
  505   1HB   PRO  82          2HB       PRO  82  10.740  -6.288  -6.288
  506   2HB   PRO  82          1HB       PRO  82   9.855  -5.557  -5.557
  507   1HG   PRO  82          2HG       PRO  82   9.012  -5.946  -5.946
  508   2HG   PRO  82          1HG       PRO  82   8.029  -5.841  -5.841
  509   1HD   PRO  82          2HD       PRO  82   8.417  -3.780  -3.780
  510   2HD   PRO  82          1HD       PRO  82   7.697  -3.598  -3.598
  511    H    MET  83           H        MET  83  12.949  -5.584  -5.584
  512    HA   MET  83           HA       MET  83  14.593  -4.424  -4.424
  513   1HB   MET  83          2HB       MET  83  14.472  -7.096  -7.096
  514   2HB   MET  83          1HB       MET  83  15.474  -6.941  -6.941
  515   1HG   MET  83          2HG       MET  83  16.634  -5.008  -5.008
  516   2HG   MET  83          1HG       MET  83  15.654  -5.202  -5.202
  517   1HE   MET  83          3HE       MET  83  18.085  -6.715  -6.715
  518   2HE   MET  83          2HE       MET  83  18.715  -8.173  -8.173
  519   3HE   MET  83          1HE       MET  83  17.058  -8.145  -8.145
  520    H    ASN  84           H        ASN  84  13.245  -7.668  -7.668
  521    HA   ASN  84           HA       ASN  84  12.163  -6.836  -6.836
  522   1HB   ASN  84          2HB       ASN  84  13.416  -8.958  -8.958
  523   2HB   ASN  84          1HB       ASN  84  14.186  -7.376  -7.376
  524   1HD2  ASN  84          1HD2      ASN  84  13.736  -9.468  -9.468
  525   2HD2  ASN  84          2HD2      ASN  84  15.389  -9.710  -9.710
  526    H    PHE  85           H        PHE  85  11.333  -8.938  -8.938
  527    HA   PHE  85           HA       PHE  85   9.535 -10.212 -10.212
  528   1HB   PHE  85          2HB       PHE  85   9.763 -10.296 -10.296
  529   2HB   PHE  85          1HB       PHE  85   8.617 -11.289 -11.289
  530    HD1  PHE  85          1HD       PHE  85   9.785  -7.718  -7.718
  531    HD2  PHE  85          2HD       PHE  85   6.477 -10.427 -10.427
  532    HE1  PHE  85          1HE       PHE  85   8.227  -5.794  -5.794
  533    HE2  PHE  85          2HE       PHE  85   4.918  -8.502  -8.502
  534    HZ   PHE  85           HZ       PHE  85   5.794  -6.186  -6.186
  535    H    ARG  86           H        ARG  86  12.302 -11.023 -11.023
  536    HA   ARG  86           HA       ARG  86  12.853 -13.384 -13.384
  537   1HB   ARG  86          2HB       ARG  86  11.511 -13.633 -13.633
  538   2HB   ARG  86          1HB       ARG  86  12.824 -14.755 -14.755
  539   1HG   ARG  86          2HG       ARG  86  11.501 -14.917 -14.917
  540   2HG   ARG  86          1HG       ARG  86  10.147 -14.496 -14.496
  541   1HD   ARG  86          2HD       ARG  86  10.948 -16.359 -16.359
  542   2HD   ARG  86          1HD       ARG  86  12.012 -16.862 -16.862
  543    HE   ARG  86           HE       ARG  86   9.830 -17.018 -17.018
  544   1HH1  ARG  86          1HH1      ARG  86   8.501 -16.319 -16.319
  545   2HH1  ARG  86          2HH1      ARG  86   7.824 -17.869 -17.869
  546   1HH2  ARG  86          1HH2      ARG  86   9.628 -19.542 -19.542
  547   2HH2  ARG  86          2HH2      ARG  86   8.462 -19.694 -19.694
  548    H    SER  87           H        SER  87  14.963 -14.016 -14.016
  549    HA   SER  87           HA       SER  87  16.736 -12.191 -12.191
  550   1HB   SER  87          2HB       SER  87  17.289 -14.855 -14.855
  551   2HB   SER  87          1HB       SER  87  18.522 -13.718 -13.718
  552    HG   SER  87           HG       SER  87  16.683 -13.533 -13.533
  553    H    TRP  88           H        TRP  88  15.510 -12.658 -12.658
  554    HA   TRP  88           HA       TRP  88  15.995 -15.069 -15.069
  555   1HB   TRP  88          2HB       TRP  88  15.124 -12.305 -12.305
  556   2HB   TRP  88          1HB       TRP  88  15.541 -13.482 -13.482
  557    HD1  TRP  88           HD       TRP  88  13.132 -13.007 -13.007
  558    HE1  TRP  88          1HE       TRP  88  11.070 -14.509 -14.509
  559    HE3  TRP  88          3HE       TRP  88  14.620 -15.503 -15.503
  560    HZ2  TRP  88          2HZ       TRP  88  10.172 -16.504 -16.504
  561    HZ3  TRP  88          3HZ       TRP  88  13.144 -17.195 -17.195
  562    HH2  TRP  88           HH       TRP  88  10.924 -17.699 -17.699
  563    H    CYS  89           H        CYS  89  17.328 -11.833 -11.833
  564    HA   CYS  89           HA       CYS  89  19.735 -13.148 -13.148
  565   1HB   CYS  89          2HB       CYS  89  18.827 -10.287 -10.287
  566   2HB   CYS  89          1HB       CYS  89  20.139 -11.104 -11.104
  567    H    SER  90           H        SER  90  18.611 -10.797 -10.797
  568    HA   SER  90           HA       SER  90  19.661  -9.781  -9.781
  569   1HB   SER  90          2HB       SER  90  20.557 -12.275 -12.275
  570   2HB   SER  90          1HB       SER  90  22.079 -11.513 -11.513
  571    HG   SER  90           HG       SER  90  22.166 -10.580 -10.580
  572    H    THR  91           H        THR  91  19.914  -7.880  -7.880
  573    HA   THR  91           HA       THR  91  22.088  -7.343  -7.343
  574    HB   THR  91           HB       THR  91  20.069  -5.943  -5.943
  575    HG1  THR  91          1HG       THR  91  21.141  -4.053  -4.053
  576    H    LYS  92           H        LYS  92  23.455  -5.203  -5.203
  577    HA   LYS  92           HA       LYS  92  24.463  -4.965  -4.965
  578   1HB   LYS  92          2HB       LYS  92  25.265  -7.424  -7.424
  579   2HB   LYS  92          1HB       LYS  92  26.661  -6.385  -6.385
  580   1HG   LYS  92          2HG       LYS  92  26.067  -5.630  -5.630
  581   2HG   LYS  92          1HG       LYS  92  25.446  -7.281  -7.281
  582   1HD   LYS  92          2HD       LYS  92  27.687  -7.995  -7.995
  583   2HD   LYS  92          1HD       LYS  92  28.260  -6.371  -6.371
  584   1HE   LYS  92          2HE       LYS  92  26.867  -7.834  -7.834
  585   2HE   LYS  92          1HE       LYS  92  28.469  -8.421  -8.421
  586   1HZ   LYS  92          1HZ       LYS  92  29.278  -6.118  -6.118
  587   2HZ   LYS  92          3HZ       LYS  92  27.751  -5.655  -5.655
  588   3HZ   LYS  92          2HZ       LYS  92  28.689  -6.760  -6.760
  589    HA   PRO  93           HA       PRO  93  27.468  -2.851  -2.851
  590   1HB   PRO  93          2HB       PRO  93  27.462  -3.519  -3.519
  591   2HB   PRO  93          1HB       PRO  93  28.428  -4.358  -4.358
  592   1HG   PRO  93          2HG       PRO  93  26.002  -5.263  -5.263
  593   2HG   PRO  93          1HG       PRO  93  27.276  -6.215  -6.215
  594   1HD   PRO  93          2HD       PRO  93  24.687  -5.625  -5.625
  595   2HD   PRO  93          1HD       PRO  93  26.020  -6.451  -6.451
  596    H    ASP  94           H        ASP  94  27.308  -1.557  -1.557
  597    HA   ASP  94           HA       ASP  94  26.217   0.110   0.110
  598   1HB   ASP  94          2HB       ASP  94  24.589  -1.937  -1.937
  599   2HB   ASP  94          1HB       ASP  94  23.542  -1.018  -1.018
  600    H    ASP  95           H        ASP  95  25.420   2.125   2.125
  601    HA   ASP  95           HA       ASP  95  23.722   2.835   2.835
  602   1HB   ASP  95          2HB       ASP  95  26.157   2.129   2.129
  603   2HB   ASP  95          1HB       ASP  95  26.397   3.855   3.855
  604    H    VAL  96           H        VAL  96  24.698   5.373   5.373
  605    HA   VAL  96           HA       VAL  96  24.815   7.519   7.519
  606    HB   VAL  96           HB       VAL  96  25.821   6.692   6.692
  607    H    LEU  97           H        LEU  97  24.416   8.311   8.311
  608    HA   LEU  97           HA       LEU  97  21.643   8.550   8.550
  609   1HB   LEU  97          2HB       LEU  97  23.616   9.672   9.672
  610   2HB   LEU  97          1HB       LEU  97  23.031   8.505   8.505
  611    HG   LEU  97           HG       LEU  97  20.689   9.366   9.366
  612   1HD1  LEU  97          1HD1      LEU  97  22.325  11.392  11.392
  613   2HD1  LEU  97          3HD1      LEU  97  20.694  11.735  11.735
  614   3HD1  LEU  97          2HD1      LEU  97  20.965  10.433  10.433
  615   1HD2  LEU  97          2HD2      LEU  97  22.853  11.128  11.128
  616   2HD2  LEU  97          1HD2      LEU  97  21.712  10.093  10.093
  617   3HD2  LEU  97          3HD2      LEU  97  21.148  11.573  11.573
  618    H    ALA  98           H        ALA  98  23.624   5.870   5.870
  619    HA   ALA  98           HA       ALA  98  22.108   4.609   4.609
  620   1HB   ALA  98          1HB       ALA  98  24.342   3.918   3.918
  621   2HB   ALA  98          3HB       ALA  98  23.215   2.913   2.913
  622   3HB   ALA  98          2HB       ALA  98  23.349   2.727   2.727
  623    H    ALA  99           H        ALA  99  21.412   5.013   5.013
  624    HA   ALA  99           HA       ALA  99  18.831   3.654   3.654
  625   1HB   ALA  99          3HB       ALA  99  20.900   3.031   3.031
  626   2HB   ALA  99          2HB       ALA  99  19.194   2.920   2.920
  627   3HB   ALA  99          1HB       ALA  99  19.831   1.939   1.939
  628    H    CYS 100           H        CYS 100  17.143   4.751   4.751
  629    HA   CYS 100           HA       CYS 100  17.595   6.731   6.731
  630   1HB   CYS 100          2HB       CYS 100  18.038   7.901   7.901
  631   2HB   CYS 100          1HB       CYS 100  16.376   7.552   7.552
  632    H    CYS 101           H        CYS 101  15.261   5.326   5.326
  633    HA   CYS 101           HA       CYS 101  13.084   5.892   5.892
  634   1HB   CYS 101          2HB       CYS 101  13.264   5.150   5.150
  635   2HB   CYS 101          1HB       CYS 101  11.841   4.593   4.593
  636    H    MET 102           H        MET 102  14.941   3.186   3.186
  637    HA   MET 102           HA       MET 102  15.058   0.982   0.982
  638   1HB   MET 102          2HB       MET 102  14.574   2.431   2.431
  639   2HB   MET 102          1HB       MET 102  13.394   1.123   1.123
  640   1HG   MET 102          2HG       MET 102  15.145  -0.537  -0.537
  641   2HG   MET 102          1HG       MET 102  16.355   0.727   0.727
  642   1HE   MET 102          2HE       MET 102  17.453  -0.872  -0.872
  643   2HE   MET 102          1HE       MET 102  17.534  -0.637  -0.637
  644   3HE   MET 102          3HE       MET 102  16.339  -1.742  -1.742
  645    H    GLN 103           H        GLN 103  13.871  -0.921  -0.921
  646    HA   GLN 103           HA       GLN 103  11.033  -1.050  -1.050
  647   1HB   GLN 103          2HB       GLN 103  10.611  -1.371  -1.371
  648   2HB   GLN 103          1HB       GLN 103  10.878   0.275   0.275
  649   1HG   GLN 103          2HG       GLN 103  12.958   0.421   0.421
  650   2HG   GLN 103          1HG       GLN 103  13.256  -1.311  -1.311
  651    H    MET 104           H        MET 104  10.230  -2.993  -2.993
  652    HA   MET 104           HA       MET 104  12.263  -5.130  -5.130
  653   1HB   MET 104          2HB       MET 104  10.759  -5.301  -5.301
  654   2HB   MET 104          1HB       MET 104   9.390  -5.465  -5.465
  655   1HG   MET 104          2HG       MET 104  10.851  -7.380  -7.380
  656   2HG   MET 104          1HG       MET 104  11.652  -7.373  -7.373
  657   1HE   MET 104          2HE       MET 104  10.346  -7.460  -7.460
  658   2HE   MET 104          1HE       MET 104   9.425  -8.955  -8.955
  659   3HE   MET 104          3HE       MET 104  11.029  -8.966  -8.966
  660    H    THR 105           H        THR 105  12.537  -5.408  -5.408
  661    HA   THR 105           HA       THR 105  10.686  -4.961  -4.961
  662    HB   THR 105           HB       THR 105  12.282  -7.031  -7.031
  663    HG1  THR 105          1HG       THR 105  14.364  -6.221  -6.221
  664    H    ALA 106           H        ALA 106  10.292  -7.078  -7.078
  665    HA   ALA 106           HA       ALA 106   8.764  -8.972  -8.972
  666   1HB   ALA 106          2HB       ALA 106   7.644  -6.977  -6.977
  667   2HB   ALA 106          1HB       ALA 106   7.547  -8.379  -8.379
  668   3HB   ALA 106          3HB       ALA 106   6.819  -8.441  -8.441
  669    H    ALA 107           H        ALA 107  11.310  -9.725  -9.725
  670    HA   ALA 107           HA       ALA 107  10.479 -11.655 -11.655
  671   1HB   ALA 107          3HB       ALA 107  12.377  -9.808  -9.808
  672   2HB   ALA 107          2HB       ALA 107  13.368 -11.053 -11.053
  673   3HB   ALA 107          1HB       ALA 107  12.452 -11.427 -11.427
  674    H    ALA 108           H        ALA 108  11.775 -13.687 -13.687
  675    HA   ALA 108           HA       ALA 108  11.741 -14.793 -14.793
  676   1HB   ALA 108          2HB       ALA 108  12.312 -15.835 -15.835
  677   2HB   ALA 108          1HB       ALA 108  12.889 -16.765 -16.765
  678   3HB   ALA 108          3HB       ALA 108  11.169 -16.419 -16.419
  679    H    ASP 109           H        ASP 109  14.065 -12.966 -12.966
  680    HA   ASP 109           HA       ASP 109  16.131 -13.928 -13.928
  681   1HB   ASP 109          2HB       ASP 109  16.364 -14.588 -14.588
  682   2HB   ASP 109          1HB       ASP 109  16.966 -12.933 -12.933
  683    H    GLN 110           H        GLN 110  14.100 -11.568 -11.568
  684    HA   GLN 110           HA       GLN 110  15.984  -9.369  -9.369
  685   1HB   GLN 110          2HB       GLN 110  13.232  -9.657  -9.657
  686   2HB   GLN 110          1HB       GLN 110  13.392  -8.386  -8.386
  687   1HG   GLN 110          2HG       GLN 110  13.650  -7.431  -7.431
  688   2HG   GLN 110          1HG       GLN 110  15.193  -7.356  -7.356
  689    H    CYS 111           H        CYS 111  13.650 -10.984 -10.984
  690    HA   CYS 111           HA       CYS 111  13.016 -10.697 -10.697
  691   1HB   CYS 111          2HB       CYS 111  14.819 -11.138 -11.138
  692   2HB   CYS 111          1HB       CYS 111  15.089 -12.069 -12.069
  693    H    TRP 112           H        TRP 112  14.317  -9.366  -9.366
  694    HA   TRP 112           HA       TRP 112  13.468  -6.645  -6.645
  695   1HB   TRP 112          2HB       TRP 112  13.589  -6.250  -6.250
  696   2HB   TRP 112          1HB       TRP 112  12.657  -7.707  -7.707
  697    HD1  TRP 112           HD       TRP 112  13.807 -10.064 -10.064
  698    HE1  TRP 112          1HE       TRP 112  15.707 -10.683 -10.683
  699    HE3  TRP 112          3HE       TRP 112  15.798  -5.437  -5.437
  700    HZ2  TRP 112          2HZ       TRP 112  17.794  -9.389  -9.389
  701    HZ3  TRP 112          3HZ       TRP 112  17.738  -5.159  -5.159
  702    HH2  TRP 112           HH       TRP 112  18.739  -7.128  -7.128
  703    H    ASP 113           H        ASP 113  14.724  -4.839  -4.839
  704    HA   ASP 113           HA       ASP 113  17.366  -4.701  -4.701
  705   1HB   ASP 113          2HB       ASP 113  18.571  -4.537  -4.537
  706   2HB   ASP 113          1HB       ASP 113  17.989  -6.163  -6.163
  707    H    ASP 114           H        ASP 114  18.203  -2.610  -2.610
  708    HA   ASP 114           HA       ASP 114  16.395  -0.496  -0.496
  709   1HB   ASP 114          2HB       ASP 114  18.389   0.981   0.981
  710   2HB   ASP 114          1HB       ASP 114  18.492  -0.252  -0.252
  711    H    LEU 115           H        LEU 115  16.577   1.404   1.404
  712    HA   LEU 115           HA       LEU 115  17.542   0.933   0.933
  713   1HB   LEU 115          2HB       LEU 115  14.958  -0.068  -0.068
  714   2HB   LEU 115          1HB       LEU 115  14.707   1.385   1.385
  715    HG   LEU 115           HG       LEU 115  16.764   0.196   0.196
  716   1HD1  LEU 115          3HD1      LEU 115  15.279  -1.889  -1.889
  717   2HD1  LEU 115          2HD1      LEU 115  15.605  -2.230  -2.230
  718   3HD1  LEU 115          1HD1      LEU 115  16.940  -1.898  -1.898
  719   1HD2  LEU 115          3HD2      LEU 115  13.814   0.340   0.340
  720   2HD2  LEU 115          2HD2      LEU 115  15.068   0.834   0.834
  721   3HD2  LEU 115          1HD2      LEU 115  14.605  -0.861  -0.861
  722    HA   PRO 116           HA       PRO 116  17.139   5.342   5.342
  723   1HB   PRO 116          2HB       PRO 116  17.132   5.866   5.866
  724   2HB   PRO 116          1HB       PRO 116  18.572   5.361   5.361
  725   1HG   PRO 116          2HG       PRO 116  16.906   3.822   3.822
  726   2HG   PRO 116          1HG       PRO 116  18.608   3.611   3.611
  727   1HD   PRO 116          2HD       PRO 116  16.418   2.067   2.067
  728   2HD   PRO 116          1HD       PRO 116  18.090   2.022   2.022
  729    H    CYS 117           H        CYS 117  15.515   6.842   6.842
  730    HA   CYS 117           HA       CYS 117  12.859   6.222   6.222
  731   1HB   CYS 117          2HB       CYS 117  14.202   8.897   8.897
  732   2HB   CYS 117          1HB       CYS 117  12.450   8.725   8.725
  733    HA   PRO 118           HA       PRO 118  12.340   7.788   7.788
  734   1HB   PRO 118          2HB       PRO 118  14.569   8.149   8.149
  735   2HB   PRO 118          1HB       PRO 118  13.824   9.432   9.432
  736   1HG   PRO 118          2HG       PRO 118  16.304   7.877   7.877
  737   2HG   PRO 118          1HG       PRO 118  15.896   9.536   9.536
  738   1HD   PRO 118          2HD       PRO 118  15.821   7.314   7.314
  739   2HD   PRO 118          1HD       PRO 118  15.027   8.874   8.874
  740    H    ALA 119           H        ALA 119  11.642   5.558   5.558
  741    HA   ALA 119           HA       ALA 119  12.914   3.988   3.988
  742   1HB   ALA 119          2HB       ALA 119  14.183   3.454   3.454
  743   2HB   ALA 119          1HB       ALA 119  12.694   2.666   2.666
  744   3HB   ALA 119          3HB       ALA 119  13.543   2.100   2.100
  745    H    SER 120           H        SER 120  10.659   5.012   5.012
  746    HA   SER 120           HA       SER 120   8.289   4.324   4.324
  747   1HB   SER 120          2HB       SER 120   9.144   5.302   5.302
  748   2HB   SER 120          1HB       SER 120   8.088   3.951   3.951
  749    HG   SER 120           HG       SER 120   7.546   6.364   6.364
  750    H    HIS 121           H        HIS 121   7.915   2.419   2.419
  751    HA   HIS 121           HA       HIS 121   7.681   0.115   0.115
  752   1HB   HIS 121          2HB       HIS 121   8.892   0.080   0.080
  753   2HB   HIS 121          1HB       HIS 121   8.504  -1.337  -1.337
  754    HD1  HIS 121          1HD       HIS 121  11.439  -0.078  -0.078
  755    HD2  HIS 121          2HD       HIS 121   9.733  -0.218  -0.218
  756    HE1  HIS 121          1HE       HIS 121  13.352   0.092   0.092
  757    H    LYS 122           H        LYS 122   5.498   0.804   0.804
  758    HA   LYS 122           HA       LYS 122   3.298   0.797   0.797
  759   1HB   LYS 122          2HB       LYS 122   4.494  -1.672  -1.672
  760   2HB   LYS 122          1HB       LYS 122   2.819  -1.261  -1.261
  761   1HG   LYS 122          2HG       LYS 122   2.920  -2.726  -2.726
  762   2HG   LYS 122          1HG       LYS 122   2.354  -1.125  -1.125
  763   1HD   LYS 122          2HD       LYS 122   4.212  -0.691  -0.691
  764   2HD   LYS 122          1HD       LYS 122   5.289  -1.484  -1.484
  765   1HE   LYS 122          2HE       LYS 122   5.422  -3.148  -3.148
  766   2HE   LYS 122          1HE       LYS 122   3.806  -3.600  -3.600
  767   1HZ   LYS 122          3HZ       LYS 122   4.093  -1.492  -1.492
  768   2HZ   LYS 122          2HZ       LYS 122   4.281  -3.112  -3.112
  769   3HZ   LYS 122          1HZ       LYS 122   2.827  -2.595  -2.595
  770    H    SER 123           H        SER 123   1.880   0.371   0.371
  771    HA   SER 123           HA       SER 123   3.151   1.617   1.617
  772   1HB   SER 123          2HB       SER 123   2.214   3.532   3.532
  773   2HB   SER 123          1HB       SER 123   0.701   2.684   2.684
  774    HG   SER 123           HG       SER 123   0.114   3.015   3.015
  775    H    VAL 124           H        VAL 124   2.093   1.166   1.166
  776    HA   VAL 124           HA       VAL 124  -0.103  -0.808  -0.808
  777    HB   VAL 124           HB       VAL 124   2.219  -0.898  -0.898
  778    H    CYS 125           H        CYS 125  -1.847  -0.021  -0.021
  779    HA   CYS 125           HA       CYS 125  -1.531   1.764   1.764
  780   1HB   CYS 125          2HB       CYS 125  -3.562   1.806   1.806
  781   2HB   CYS 125          1HB       CYS 125  -3.825   2.643   2.643
  782    H    ALA 126           H        ALA 126  -2.433   1.107   1.107
  783    HA   ALA 126           HA       ALA 126  -4.575  -0.934  -0.934
  784   1HB   ALA 126          1HB       ALA 126  -2.413  -2.020  -2.020
  785   2HB   ALA 126          3HB       ALA 126  -2.264  -0.931  -0.931
  786   3HB   ALA 126          2HB       ALA 126  -3.584  -2.098  -2.098
  787    H    MET 127           H        MET 127  -6.015  -0.908  -0.908
  788    HA   MET 127           HA       MET 127  -5.808   1.394   1.394
  789   1HB   MET 127          2HB       MET 127  -8.317   0.784   0.784
  790   2HB   MET 127          1HB       MET 127  -8.065   2.121   2.121
  791   1HG   MET 127          2HG       MET 127  -5.992   2.574   2.574
  792   2HG   MET 127          1HG       MET 127  -7.080   1.777   1.777
  793   1HE   MET 127          1HE       MET 127  -6.727   4.021   4.021
  794   2HE   MET 127          3HE       MET 127  -7.358   5.595   5.595
  795   3HE   MET 127          2HE       MET 127  -8.425   4.414   4.414
  796    H    THR 128           H        THR 128  -7.223   1.232   1.232
  797    HA   THR 128           HA       THR 128  -8.537  -1.342  -1.342
  798    HB   THR 128           HB       THR 128  -7.312  -1.831  -1.831
  799    HG1  THR 128          1HG       THR 128  -6.637  -0.031  -0.031
  800    H    PHE 129           H        PHE 129  -9.110  -1.200  -1.200
  801    HA   PHE 129           HA       PHE 129 -10.449   1.422   1.422
  802   1HB   PHE 129          2HB       PHE 129 -11.458  -1.286  -1.286
  803   2HB   PHE 129          1HB       PHE 129 -12.284   0.258   0.258
  804    HD1  PHE 129          1HD       PHE 129 -10.830  -1.949  -1.949
  805    HD2  PHE 129          2HD       PHE 129 -13.744   1.046   1.046
  806    HE1  PHE 129          1HE       PHE 129 -11.828  -2.169  -2.169
  807    HE2  PHE 129          2HE       PHE 129 -14.742   0.826   0.826
  808    HZ   PHE 129           HZ       PHE 129 -13.784  -0.781  -0.781

  Start of MODEL    3
    1   1H    GLN   1          2HT       GLN   1 -29.012  10.974  10.974
    2   2H    GLN   1          1HT       GLN   1 -29.163  12.032  12.032
    3   3H    GLN   1          3HT       GLN   1 -29.339  10.362  10.362
    4    HA   GLN   1           HA       GLN   1 -27.180  11.101  11.101
    5   1HB   GLN   1          2HB       GLN   1 -27.153  12.997  12.997
    6   2HB   GLN   1          1HB       GLN   1 -26.560  11.775  11.775
    7   1HG   GLN   1          2HG       GLN   1 -24.863  11.266  11.266
    8   2HG   GLN   1          1HG       GLN   1 -25.225  12.938  12.938
    9    H    ARG   2           H        ARG   2 -25.807   9.414   9.414
   10    HA   ARG   2           HA       ARG   2 -26.183   7.170   7.170
   11   1HB   ARG   2          2HB       ARG   2 -24.783   7.280   7.280
   12   2HB   ARG   2          1HB       ARG   2 -25.046   5.827   5.827
   13   1HG   ARG   2          2HG       ARG   2 -26.910   5.680   5.680
   14   2HG   ARG   2          1HG       ARG   2 -27.576   6.723   6.723
   15   1HD   ARG   2          2HD       ARG   2 -27.507   8.604   8.604
   16   2HD   ARG   2          1HD       ARG   2 -26.115   8.037   8.037
   17    HE   ARG   2           HE       ARG   2 -28.129   6.324   6.324
   18   1HH1  ARG   2          1HH2      ARG   2 -29.785   8.876   8.876
   19   2HH1  ARG   2          2HH2      ARG   2 -29.923   9.568   9.568
   20   1HH2  ARG   2          1HH1      ARG   2 -27.414   7.604   7.604
   21   2HH2  ARG   2          2HH1      ARG   2 -28.581   8.848   8.848
   22    H    ALA   3           H        ALA   3 -24.228   5.872   5.872
   23    HA   ALA   3           HA       ALA   3 -21.637   7.091   7.091
   24   1HB   ALA   3          3HB       ALA   3 -23.252   7.268   7.268
   25   2HB   ALA   3          2HB       ALA   3 -21.488   7.276   7.276
   26   3HB   ALA   3          1HB       ALA   3 -22.371   8.552   8.552
   27    H    GLY   4           H        GLY   4 -20.169   5.521   5.521
   28   1HA   GLY   4          2HA       GLY   4 -21.049   2.849   2.849
   29   2HA   GLY   4          1HA       GLY   4 -19.582   3.230   3.230
   30    HA   PRO   5           HA       PRO   5 -18.701   2.973   2.973
   31   1HB   PRO   5          2HB       PRO   5 -18.057   0.337   0.337
   32   2HB   PRO   5          1HB       PRO   5 -19.688   0.983   0.983
   33   1HG   PRO   5          2HG       PRO   5 -18.617  -0.658  -0.658
   34   2HG   PRO   5          1HG       PRO   5 -20.281  -0.493  -0.493
   35   1HD   PRO   5          2HD       PRO   5 -19.147   0.756   0.756
   36   2HD   PRO   5          1HD       PRO   5 -20.744   1.085   1.085
   37    H    ASN   6           H        ASN   6 -17.088   0.676   0.676
   38    HA   ASN   6           HA       ASN   6 -14.467   1.412   1.412
   39   1HB   ASN   6          2HB       ASN   6 -15.504  -0.614  -0.614
   40   2HB   ASN   6          1HB       ASN   6 -13.795  -0.179  -0.179
   41   1HD2  ASN   6          1HD2      ASN   6 -13.046   0.080   0.080
   42   2HD2  ASN   6          2HD2      ASN   6 -13.372  -1.328  -1.328
   43    H    CYS   7           H        CYS   7 -15.872   1.278   1.278
   44    HA   CYS   7           HA       CYS   7 -14.476   3.801   3.801
   45   1HB   CYS   7          2HB       CYS   7 -14.320   1.192   1.192
   46   2HB   CYS   7          1HB       CYS   7 -14.116   2.724   2.724
   47    HA   PRO   8           HA       PRO   8 -18.408   4.743   4.743
   48   1HB   PRO   8          2HB       PRO   8 -17.696   6.902   6.902
   49   2HB   PRO   8          1HB       PRO   8 -17.842   6.944   6.944
   50   1HG   PRO   8          2HG       PRO   8 -15.411   6.967   6.967
   51   2HG   PRO   8          1HG       PRO   8 -15.651   7.576   7.576
   52   1HD   PRO   8          2HD       PRO   8 -14.395   5.130   5.130
   53   2HD   PRO   8          1HD       PRO   8 -14.825   5.650   5.650
   54    H    ALA   9           H        ALA   9 -15.880   5.273   5.273
   55    HA   ALA   9           HA       ALA   9 -17.573   4.476   4.476
   56   1HB   ALA   9          2HB       ALA   9 -15.586   6.043   6.043
   57   2HB   ALA   9          1HB       ALA   9 -14.555   4.618   4.618
   58   3HB   ALA   9          3HB       ALA   9 -15.662   4.782   4.782
   59    H    GLY  10           H        GLY  10 -16.300   2.818   2.818
   60   1HA   GLY  10          2HA       GLY  10 -16.803   0.250   0.250
   61   2HA   GLY  10          1HA       GLY  10 -15.936   0.587   0.587
   62    H    TRP  11           H        TRP  11 -13.705   1.854   1.854
   63    HA   TRP  11           HA       TRP  11 -11.580   1.521   1.521
   64   1HB   TRP  11          2HB       TRP  11 -13.356   1.043   1.043
   65   2HB   TRP  11          1HB       TRP  11 -11.878   0.095   0.095
   66    HD1  TRP  11           HD       TRP  11 -13.141   3.690   3.690
   67    HE1  TRP  11          1HE       TRP  11 -11.266   5.280   5.280
   68    HE3  TRP  11          3HE       TRP  11  -9.274   0.372   0.372
   69    HZ2  TRP  11          2HZ       TRP  11  -8.496   5.164   5.164
   70    HZ3  TRP  11          3HZ       TRP  11  -7.037   1.141   1.141
   71    HH2  TRP  11           HH       TRP  11  -6.639   3.525   3.525
   72    H    GLN  12           H        GLN  12 -10.358  -0.515  -0.515
   73    HA   GLN  12           HA       GLN  12 -11.028  -2.972  -2.972
   74   1HB   GLN  12          2HB       GLN  12  -8.564  -1.358  -1.358
   75   2HB   GLN  12          1HB       GLN  12  -8.305  -3.087  -3.087
   76   1HG   GLN  12          2HG       GLN  12 -10.241  -3.182  -3.182
   77   2HG   GLN  12          1HG       GLN  12  -9.511  -1.634  -1.634
   78    HA   PRO  13           HA       PRO  13  -9.975  -3.616  -3.616
   79   1HB   PRO  13          2HB       PRO  13 -12.430  -4.447  -4.447
   80   2HB   PRO  13          1HB       PRO  13 -11.916  -2.754  -2.754
   81   1HG   PRO  13          2HG       PRO  13 -13.812  -4.160  -4.160
   82   2HG   PRO  13          1HG       PRO  13 -13.727  -2.445  -2.445
   83   1HD   PRO  13          2HD       PRO  13 -12.809  -3.627  -3.627
   84   2HD   PRO  13          1HD       PRO  13 -12.499  -1.964  -1.964
   85    H    LEU  14           H        LEU  14  -8.833  -5.461  -5.461
   86    HA   LEU  14           HA       LEU  14  -9.469  -7.847  -7.847
   87   1HB   LEU  14          2HB       LEU  14  -7.189  -7.184  -7.184
   88   2HB   LEU  14          1HB       LEU  14  -7.733  -7.620  -7.620
   89    HG   LEU  14           HG       LEU  14  -8.462  -9.864  -9.864
   90   1HD1  LEU  14          2HD1      LEU  14  -7.557  -8.720  -8.720
   91   2HD1  LEU  14          1HD1      LEU  14  -5.981  -9.216  -9.216
   92   3HD1  LEU  14          3HD1      LEU  14  -7.220 -10.426 -10.426
   93   1HD2  LEU  14          1HD2      LEU  14  -5.789  -8.993  -8.993
   94   2HD2  LEU  14          3HD2      LEU  14  -6.969 -10.087 -10.087
   95   3HD2  LEU  14          2HD2      LEU  14  -5.979 -10.627 -10.627
   96    H    GLY  15           H        GLY  15  -9.408  -7.359  -7.359
   97   1HA   GLY  15          2HA       GLY  15 -11.466  -9.470  -9.470
   98   2HA   GLY  15          1HA       GLY  15 -10.300  -9.042  -9.042
   99    H    ASP  16           H        ASP  16 -10.458  -6.723  -6.723
  100    HA   ASP  16           HA       ASP  16 -13.256  -5.781  -5.781
  101   1HB   ASP  16          2HB       ASP  16 -11.561  -6.650  -6.650
  102   2HB   ASP  16          1HB       ASP  16 -12.558  -5.212  -5.212
  103    H    ARG  17           H        ARG  17  -9.840  -5.068  -5.068
  104    HA   ARG  17           HA       ARG  17 -10.094  -2.293  -2.293
  105   1HB   ARG  17          2HB       ARG  17  -7.748  -3.668  -3.668
  106   2HB   ARG  17          1HB       ARG  17  -7.721  -2.167  -2.167
  107   1HG   ARG  17          2HG       ARG  17  -8.656  -3.630  -3.630
  108   2HG   ARG  17          1HG       ARG  17  -8.056  -4.988  -4.988
  109   1HD   ARG  17          2HD       ARG  17  -5.971  -3.093  -3.093
  110   2HD   ARG  17          1HD       ARG  17  -6.578  -3.111  -3.111
  111    HE   ARG  17           HE       ARG  17  -5.277  -5.323  -5.323
  112   1HH1  ARG  17          1HH1      ARG  17  -4.321  -4.600  -4.600
  113   2HH1  ARG  17          2HH1      ARG  17  -5.105  -5.737  -5.737
  114   1HH2  ARG  17          1HH2      ARG  17  -7.503  -6.632  -6.632
  115   2HH2  ARG  17          2HH2      ARG  17  -6.908  -6.888  -6.888
  116    H    CYS  18           H        CYS  18  -8.384  -1.149  -1.149
  117    HA   CYS  18           HA       CYS  18  -9.850  -1.458  -1.458
  118   1HB   CYS  18          2HB       CYS  18  -9.642   0.989   0.989
  119   2HB   CYS  18          1HB       CYS  18  -9.493   1.194   1.194
  120    H    ILE  19           H        ILE  19  -8.426  -1.774  -1.774
  121    HA   ILE  19           HA       ILE  19  -5.832  -0.396  -0.396
  122    HB   ILE  19           HB       ILE  19  -5.472  -2.636  -2.636
  123   1HD1  ILE  19          2HD1      ILE  19  -3.334  -3.663  -3.663
  124   2HD1  ILE  19          1HD1      ILE  19  -3.819  -4.561  -4.561
  125   3HD1  ILE  19          3HD1      ILE  19  -2.382  -3.540  -3.540
  126    H    TYR  20           H        TYR  20  -4.691  -0.481  -0.481
  127    HA   TYR  20           HA       TYR  20  -6.569  -0.790  -0.790
  128   1HB   TYR  20          2HB       TYR  20  -4.911   1.565   1.565
  129   2HB   TYR  20          1HB       TYR  20  -5.097   1.221   1.221
  130    HD1  TYR  20          1HD       TYR  20  -7.869   0.183   0.183
  131    HD2  TYR  20          2HD       TYR  20  -6.269   3.412   3.412
  132    HE1  TYR  20          1HE       TYR  20 -10.086   1.280   1.280
  133    HE2  TYR  20          2HE       TYR  20  -8.497   4.494   4.494
  134    HH   TYR  20           HH       TYR  20 -10.890   3.805   3.805
  135    H    TYR  21           H        TYR  21  -5.156  -0.376  -0.376
  136    HA   TYR  21           HA       TYR  21  -2.506  -1.517  -1.517
  137   1HB   TYR  21          2HB       TYR  21  -3.761  -3.586  -3.586
  138   2HB   TYR  21          1HB       TYR  21  -4.856  -3.120  -3.120
  139    HD1  TYR  21          2HD       TYR  21  -1.438  -4.294  -4.294
  140    HD2  TYR  21          1HD       TYR  21  -4.198  -3.276  -3.276
  141    HE1  TYR  21          2HE       TYR  21   0.043  -5.380  -5.380
  142    HE2  TYR  21          1HE       TYR  21  -2.715  -4.365  -4.365
  143    HH   TYR  21           HH       TYR  21  -0.150  -6.400  -6.400
  144    H    GLU  22           H        GLU  22  -1.480  -1.290  -1.290
  145    HA   GLU  22           HA       GLU  22  -3.109   0.025   0.025
  146   1HB   GLU  22          2HB       GLU  22  -0.421   1.057   1.057
  147   2HB   GLU  22          1HB       GLU  22  -1.444   1.757   1.757
  148   1HG   GLU  22          2HG       GLU  22  -3.256   1.859   1.859
  149   2HG   GLU  22          1HG       GLU  22  -1.884   1.698   1.698
  150    H    THR  23           H        THR  23  -1.395   0.516   0.516
  151    HA   THR  23           HA       THR  23   0.261  -1.882  -1.882
  152    HB   THR  23           HB       THR  23  -0.662  -2.045  -2.045
  153    HG1  THR  23          1HG       THR  23  -1.723  -0.267  -0.267
  154    H    THR  24           H        THR  24  -0.706   1.343   1.343
  155    HA   THR  24           HA       THR  24   1.285   1.810   1.810
  156    HB   THR  24           HB       THR  24   0.551   3.998   3.998
  157    HG1  THR  24          1HG       THR  24  -1.428   3.228   3.228
  158    H    ALA  25           H        ALA  25   3.426   2.124   2.124
  159    HA   ALA  25           HA       ALA  25   4.926   1.481   1.481
  160   1HB   ALA  25          1HB       ALA  25   5.525   2.622   2.622
  161   2HB   ALA  25          3HB       ALA  25   6.740   2.872   2.872
  162   3HB   ALA  25          2HB       ALA  25   6.237   1.236   1.236
  163    H    MET  26           H        MET  26   4.774   2.562   2.562
  164    HA   MET  26           HA       MET  26   5.291   5.478   5.478
  165   1HB   MET  26          2HB       MET  26   3.645   4.103   4.103
  166   2HB   MET  26          1HB       MET  26   3.810   5.830   5.830
  167   1HG   MET  26          2HG       MET  26   2.862   4.934   4.934
  168   2HG   MET  26          1HG       MET  26   2.055   3.837   3.837
  169   1HE   MET  26          3HE       MET  26   1.062   6.062   6.062
  170   2HE   MET  26          2HE       MET  26  -0.202   5.158   5.158
  171   3HE   MET  26          1HE       MET  26  -0.260   6.918   6.918
  172    H    THR  27           H        THR  27   7.240   5.851   5.851
  173    HA   THR  27           HA       THR  27   8.594   3.856   3.856
  174    HB   THR  27           HB       THR  27   9.194   6.368   6.368
  175    HG1  THR  27          1HG       THR  27  10.914   5.244   5.244
  176    H    TRP  28           H        TRP  28   7.830   7.169   7.169
  177    HA   TRP  28           HA       TRP  28   6.699   6.410   6.410
  178   1HB   TRP  28          2HB       TRP  28   9.341   5.999   5.999
  179   2HB   TRP  28          1HB       TRP  28   9.364   7.716   7.716
  180    HD1  TRP  28           HD       TRP  28   9.416   4.457   4.457
  181    HE1  TRP  28          1HE       TRP  28   8.654   4.466   4.466
  182    HE3  TRP  28          3HE       TRP  28   7.277   9.085   9.085
  183    HZ2  TRP  28          2HZ       TRP  28   7.323   6.219   6.219
  184    HZ3  TRP  28          3HZ       TRP  28   6.279   9.903   9.903
  185    HH2  TRP  28           HH       TRP  28   6.300   8.479   8.479
  186    H    ALA  29           H        ALA  29   8.605   8.906   8.906
  187    HA   ALA  29           HA       ALA  29   7.506  11.137  11.137
  188   1HB   ALA  29          3HB       ALA  29   9.559  10.985  10.985
  189   2HB   ALA  29          2HB       ALA  29   8.360  11.282  11.282
  190   3HB   ALA  29          1HB       ALA  29   8.594  12.461  12.461
  191    H    LEU  30           H        LEU  30   6.442   9.201   9.201
  192    HA   LEU  30           HA       LEU  30   4.148  10.993  10.993
  193   1HB   LEU  30          2HB       LEU  30   5.046   8.575   8.575
  194   2HB   LEU  30          1HB       LEU  30   3.761   9.697   9.697
  195    HG   LEU  30           HG       LEU  30   6.592  10.625  10.625
  196   1HD1  LEU  30          1HD1      LEU  30   5.328   9.808   9.808
  197   2HD1  LEU  30          3HD1      LEU  30   6.904  10.577  10.577
  198   3HD1  LEU  30          2HD1      LEU  30   6.634   8.955   8.955
  199   1HD2  LEU  30          1HD2      LEU  30   4.566  12.205  12.205
  200   2HD2  LEU  30          3HD2      LEU  30   5.882  12.613  12.613
  201   3HD2  LEU  30          2HD2      LEU  30   4.426  11.834  11.834
  202    H    ALA  31           H        ALA  31   5.027   7.841   7.841
  203    HA   ALA  31           HA       ALA  31   2.433   6.672   6.672
  204   1HB   ALA  31          3HB       ALA  31   5.055   6.045   6.045
  205   2HB   ALA  31          2HB       ALA  31   3.631   5.334   5.334
  206   3HB   ALA  31          1HB       ALA  31   3.975   5.016   5.016
  207    H    GLU  32           H        GLU  32   4.284   7.474   7.474
  208    HA   GLU  32           HA       GLU  32   2.180   7.507   7.507
  209   1HB   GLU  32          2HB       GLU  32   4.657   7.593   7.593
  210   2HB   GLU  32          1HB       GLU  32   4.564   9.333   9.333
  211   1HG   GLU  32          2HG       GLU  32   2.563   8.072   8.072
  212   2HG   GLU  32          1HG       GLU  32   4.204   8.330   8.330
  213    H    THR  33           H        THR  33   3.507  10.320  10.320
  214    HA   THR  33           HA       THR  33   2.077  12.359  12.359
  215    HB   THR  33           HB       THR  33   3.761  12.703  12.703
  216    HG1  THR  33          1HG       THR  33   2.752  14.479  14.479
  217    H    ASN  34           H        ASN  34   0.936  10.142  10.142
  218    HA   ASN  34           HA       ASN  34  -1.572  11.362  11.362
  219   1HB   ASN  34          2HB       ASN  34  -0.477   9.541   9.541
  220   2HB   ASN  34          1HB       ASN  34  -1.027   8.396   8.396
  221   1HD2  ASN  34          1HD2      ASN  34  -2.302  10.987  10.987
  222   2HD2  ASN  34          2HD2      ASN  34  -3.827  10.269  10.269
  223    H    CYS  35           H        CYS  35  -0.729   8.539   8.539
  224    HA   CYS  35           HA       CYS  35  -3.287   8.278   8.278
  225   1HB   CYS  35          2HB       CYS  35  -0.569   7.180   7.180
  226   2HB   CYS  35          1HB       CYS  35  -1.754   7.092   7.092
  227    H    MET  36           H        MET  36  -0.819  10.593  10.593
  228    HA   MET  36           HA       MET  36  -0.907  11.113  11.113
  229   1HB   MET  36          2HB       MET  36   0.526  12.298  12.298
  230   2HB   MET  36          1HB       MET  36  -0.892  13.242  13.242
  231   1HG   MET  36          2HG       MET  36   0.326  14.543  14.543
  232   2HG   MET  36          1HG       MET  36  -1.107  13.916  13.916
  233   1HE   MET  36          1HE       MET  36   0.212  14.778  14.778
  234   2HE   MET  36          3HE       MET  36  -0.698  13.344  13.344
  235   3HE   MET  36          2HE       MET  36   0.957  13.575  13.575
  236    H    LYS  37           H        LYS  37  -3.225  12.039  12.039
  237    HA   LYS  37           HA       LYS  37  -4.835  13.659  13.659
  238   1HB   LYS  37          2HB       LYS  37  -4.792  13.868  13.868
  239   2HB   LYS  37          1HB       LYS  37  -5.685  12.348  12.348
  240   1HG   LYS  37          2HG       LYS  37  -7.501  13.739  13.739
  241   2HG   LYS  37          1HG       LYS  37  -7.206  13.687  13.687
  242   1HD   LYS  37          2HD       LYS  37  -7.196  15.969  15.969
  243   2HD   LYS  37          1HD       LYS  37  -5.506  15.670  15.670
  244   1HE   LYS  37          2HE       LYS  37  -6.258  17.000  17.000
  245   2HE   LYS  37          1HE       LYS  37  -6.370  15.361  15.361
  246   1HZ   LYS  37          2HZ       LYS  37  -8.719  15.342  15.342
  247   2HZ   LYS  37          1HZ       LYS  37  -8.580  16.973  16.973
  248   3HZ   LYS  37          3HZ       LYS  37  -8.389  16.525  16.525
  249    H    LEU  38           H        LEU  38  -5.301  10.448  10.448
  250    HA   LEU  38           HA       LEU  38  -6.808   9.637   9.637
  251   1HB   LEU  38          2HB       LEU  38  -8.553   8.582   8.582
  252   2HB   LEU  38          1HB       LEU  38  -8.524  10.334  10.334
  253    HG   LEU  38           HG       LEU  38  -6.741   9.513   9.513
  254   1HD1  LEU  38          1HD1      LEU  38  -8.685   7.336   7.336
  255   2HD1  LEU  38          3HD1      LEU  38  -8.465   7.761   7.761
  256   3HD1  LEU  38          2HD1      LEU  38  -7.082   7.251   7.251
  257   1HD2  LEU  38          2HD2      LEU  38  -9.646  10.255  10.255
  258   2HD2  LEU  38          1HD2      LEU  38  -8.275  11.137  11.137
  259   3HD2  LEU  38          3HD2      LEU  38  -8.927   9.736   9.736
  260    H    GLY  39           H        GLY  39  -6.229   7.680   7.680
  261   1HA   GLY  39          2HA       GLY  39  -5.900   5.300   5.300
  262   2HA   GLY  39          1HA       GLY  39  -4.602   6.013   6.013
  263    H    GLY  40           H        GLY  40  -4.536   7.716   7.716
  264   1HA   GLY  40          2HA       GLY  40  -3.353   7.545   7.545
  265   2HA   GLY  40          1HA       GLY  40  -3.265   5.801   5.801
  266    H    HIS  41           H        HIS  41  -1.490   4.908   4.908
  267    HA   HIS  41           HA       HIS  41   0.479   6.439   6.439
  268   1HB   HIS  41          2HB       HIS  41   0.864   5.871   5.871
  269   2HB   HIS  41          1HB       HIS  41   2.256   5.700   5.700
  270    HD1  HIS  41          1HD       HIS  41   0.912   8.135   8.135
  271    HD2  HIS  41          2HD       HIS  41   2.128   8.247   8.247
  272    HE1  HIS  41          1HE       HIS  41   1.342  10.571  10.571
  273    H    LEU  42           H        LEU  42   2.629   4.968   4.968
  274    HA   LEU  42           HA       LEU  42   2.007   2.636   2.636
  275   1HB   LEU  42          2HB       LEU  42   4.561   3.235   3.235
  276   2HB   LEU  42          1HB       LEU  42   4.372   2.021   2.021
  277    HG   LEU  42           HG       LEU  42   3.914   4.998   4.998
  278   1HD1  LEU  42          1HD1      LEU  42   6.214   3.183   3.183
  279   2HD1  LEU  42          3HD1      LEU  42   5.990   4.813   4.813
  280   3HD1  LEU  42          2HD1      LEU  42   6.278   4.570   4.570
  281   1HD2  LEU  42          3HD2      LEU  42   3.929   2.662   2.662
  282   2HD2  LEU  42          2HD2      LEU  42   2.539   3.659   3.659
  283   3HD2  LEU  42          1HD2      LEU  42   3.878   4.357   4.357
  284    H    ALA  43           H        ALA  43   1.758   0.514   0.514
  285    HA   ALA  43           HA       ALA  43   1.237  -0.086  -0.086
  286   1HB   ALA  43          1HB       ALA  43  -0.177  -0.816  -0.816
  287   2HB   ALA  43          3HB       ALA  43   1.012  -2.115  -2.115
  288   3HB   ALA  43          2HB       ALA  43   0.035  -1.931  -1.931
  289    H    SER  44           H        SER  44   1.867  -2.492  -2.492
  290    HA   SER  44           HA       SER  44   4.457  -3.341  -3.341
  291   1HB   SER  44          2HB       SER  44   4.494  -2.775  -2.775
  292   2HB   SER  44          1HB       SER  44   5.809  -2.745  -2.745
  293    HG   SER  44           HG       SER  44   4.435  -0.709  -0.709
  294    H    ILE  45           H        ILE  45   1.749  -4.401  -4.401
  295    HA   ILE  45           HA       ILE  45   0.583  -6.196  -6.196
  296    HB   ILE  45           HB       ILE  45   1.819  -8.328  -8.328
  297   1HD1  ILE  45          1HD1      ILE  45   3.802  -9.603  -9.603
  298   2HD1  ILE  45          3HD1      ILE  45   4.257  -8.923  -8.923
  299   3HD1  ILE  45          2HD1      ILE  45   5.391  -8.869  -8.869
  300    H    HIS  46           H        HIS  46   0.891  -8.219  -8.219
  301    HA   HIS  46           HA       HIS  46   2.092  -7.357  -7.357
  302   1HB   HIS  46          2HB       HIS  46  -0.851  -7.593  -7.593
  303   2HB   HIS  46          1HB       HIS  46  -0.216  -8.098  -8.098
  304    HD1  HIS  46          1HD       HIS  46   1.782  -6.101  -6.101
  305    HD2  HIS  46          2HD       HIS  46  -1.627  -4.961  -4.961
  306    HE1  HIS  46          1HE       HIS  46   1.471  -3.624  -3.624
  307    H    SER  47           H        SER  47  -0.402  -9.739  -9.739
  308    HA   SER  47           HA       SER  47   1.010 -11.865 -11.865
  309   1HB   SER  47          2HB       SER  47  -1.559 -11.596 -11.596
  310   2HB   SER  47          1HB       SER  47  -1.250 -12.301 -12.301
  311    HG   SER  47           HG       SER  47  -1.722 -13.880 -13.880
  312    H    GLN  48           H        GLN  48   0.761 -14.046 -14.046
  313    HA   GLN  48           HA       GLN  48   2.879 -13.578 -13.578
  314   1HB   GLN  48          2HB       GLN  48   2.767 -15.582 -15.582
  315   2HB   GLN  48          1HB       GLN  48   1.551 -16.230 -16.230
  316   1HG   GLN  48          2HG       GLN  48   3.205 -15.896 -15.896
  317   2HG   GLN  48          1HG       GLN  48   4.416 -15.505 -15.505
  318    H    GLU  49           H        GLU  49  -0.544 -14.315 -14.315
  319    HA   GLU  49           HA       GLU  49  -0.882 -15.160 -15.160
  320   1HB   GLU  49          2HB       GLU  49  -2.802 -13.674 -13.674
  321   2HB   GLU  49          1HB       GLU  49  -3.246 -14.431 -14.431
  322   1HG   GLU  49          2HG       GLU  49  -2.192 -16.582 -16.582
  323   2HG   GLU  49          1HG       GLU  49  -2.332 -15.750 -15.750
  324    H    GLU  50           H        GLU  50  -0.596 -11.999 -11.999
  325    HA   GLU  50           HA       GLU  50  -1.394 -10.465 -10.465
  326   1HB   GLU  50          2HB       GLU  50   0.255  -9.883  -9.883
  327   2HB   GLU  50          1HB       GLU  50   0.169  -8.707  -8.707
  328   1HG   GLU  50          2HG       GLU  50  -2.448  -9.236  -9.236
  329   2HG   GLU  50          1HG       GLU  50  -1.964  -9.606  -9.606
  330    H    HIS  51           H        HIS  51   1.589 -12.029 -12.029
  331    HA   HIS  51           HA       HIS  51   3.327 -10.798 -10.798
  332   1HB   HIS  51          2HB       HIS  51   3.831 -12.453 -12.453
  333   2HB   HIS  51          1HB       HIS  51   3.650 -13.683 -13.683
  334    HD1  HIS  51          1HD       HIS  51   4.847 -11.850 -11.850
  335    HD2  HIS  51          2HD       HIS  51   6.659 -12.623 -12.623
  336    HE1  HIS  51          1HE       HIS  51   7.329 -11.461 -11.461
  337    H    SER  52           H        SER  52   1.186 -13.608 -13.608
  338    HA   SER  52           HA       SER  52   1.819 -14.624 -14.624
  339   1HB   SER  52          2HB       SER  52   0.251 -15.639 -15.639
  340   2HB   SER  52          1HB       SER  52  -0.976 -14.528 -14.528
  341    HG   SER  52           HG       SER  52  -1.141 -15.672 -15.672
  342    H    PHE  53           H        PHE  53  -0.213 -11.924 -11.924
  343    HA   PHE  53           HA       PHE  53  -1.511 -11.462 -11.462
  344   1HB   PHE  53          2HB       PHE  53  -1.795 -10.380 -10.380
  345   2HB   PHE  53          1HB       PHE  53  -0.774  -9.134  -9.134
  346    HD1  PHE  53          1HD       PHE  53  -3.700 -11.243 -11.243
  347    HD2  PHE  53          2HD       PHE  53  -1.796  -7.413  -7.413
  348    HE1  PHE  53          1HE       PHE  53  -5.659 -10.276 -10.276
  349    HE2  PHE  53          2HE       PHE  53  -3.736  -6.446  -6.446
  350    HZ   PHE  53           HZ       PHE  53  -5.699  -7.862  -7.862
  351    H    ILE  54           H        ILE  54   1.532 -10.172 -10.172
  352    HA   ILE  54           HA       ILE  54   2.031  -8.550  -8.550
  353    HB   ILE  54           HB       ILE  54   4.206  -8.092  -8.092
  354   1HD1  ILE  54          2HD1      ILE  54   4.937  -7.914  -7.914
  355   2HD1  ILE  54          1HD1      ILE  54   5.408  -9.506  -9.506
  356   3HD1  ILE  54          3HD1      ILE  54   6.016  -8.929  -8.929
  357    H    GLN  55           H        GLN  55   2.442 -11.899 -11.899
  358    HA   GLN  55           HA       GLN  55   4.684 -11.875 -11.875
  359   1HB   GLN  55          2HB       GLN  55   5.722 -13.109 -13.109
  360   2HB   GLN  55          1HB       GLN  55   4.227 -13.431 -13.431
  361   1HG   GLN  55          2HG       GLN  55   4.848 -14.884 -14.884
  362   2HG   GLN  55          1HG       GLN  55   5.534 -15.433 -15.433
  363    H    THR  56           H        THR  56   1.391 -12.816 -12.816
  364    HA   THR  56           HA       THR  56   1.289 -14.830 -14.830
  365    HB   THR  56           HB       THR  56  -0.970 -13.160 -13.160
  366    HG1  THR  56          1HG       THR  56  -0.903 -14.462 -14.462
  367    H    LEU  57           H        LEU  57   0.905 -11.347 -11.347
  368    HA   LEU  57           HA       LEU  57   0.299 -11.310 -11.310
  369   1HB   LEU  57          2HB       LEU  57  -0.009  -9.105  -9.105
  370   2HB   LEU  57          1HB       LEU  57  -0.468  -9.008  -9.008
  371    HG   LEU  57           HG       LEU  57  -1.564 -11.197 -11.197
  372   1HD1  LEU  57          3HD1      LEU  57  -1.909  -8.657  -8.657
  373   2HD1  LEU  57          2HD1      LEU  57  -3.160  -8.716  -8.716
  374   3HD1  LEU  57          1HD1      LEU  57  -3.204  -9.850  -9.850
  375   1HD2  LEU  57          1HD2      LEU  57  -2.270  -9.867  -9.867
  376   2HD2  LEU  57          3HD2      LEU  57  -2.066 -11.584 -11.584
  377   3HD2  LEU  57          2HD2      LEU  57  -3.501 -10.733 -10.733
  378    H    ASN  58           H        ASN  58   2.563 -10.284 -10.284
  379    HA   ASN  58           HA       ASN  58   4.669  -9.404  -9.404
  380   1HB   ASN  58          2HB       ASN  58   4.477 -10.154 -10.154
  381   2HB   ASN  58          1HB       ASN  58   5.956  -9.721  -9.721
  382   1HD2  ASN  58          1HD2      ASN  58   5.599 -11.106 -11.106
  383   2HD2  ASN  58          2HD2      ASN  58   5.531 -12.772 -12.772
  384    H    ALA  59           H        ALA  59   3.675  -8.449  -8.449
  385    HA   ALA  59           HA       ALA  59   3.577  -6.375  -6.375
  386   1HB   ALA  59          1HB       ALA  59   1.980  -6.250  -6.250
  387   2HB   ALA  59          3HB       ALA  59   2.515  -4.670  -4.670
  388   3HB   ALA  59          2HB       ALA  59   1.582  -5.719  -5.719
  389    H    GLY  60           H        GLY  60   6.029  -6.495  -6.495
  390   1HA   GLY  60          2HA       GLY  60   8.037  -5.431  -5.431
  391   2HA   GLY  60          1HA       GLY  60   7.075  -3.974  -3.974
  392    H    VAL  61           H        VAL  61   8.352  -3.216  -3.216
  393    HA   VAL  61           HA       VAL  61   8.614  -4.902  -4.902
  394    HB   VAL  61           HB       VAL  61   9.424  -2.007  -2.007
  395    H    VAL  62           H        VAL  62   7.961  -3.926  -3.926
  396    HA   VAL  62           HA       VAL  62   5.444  -2.377  -2.377
  397    HB   VAL  62           HB       VAL  62   6.030  -4.628  -4.628
  398    H    TRP  63           H        TRP  63   6.364  -0.456  -0.456
  399    HA   TRP  63           HA       TRP  63   8.388   0.060   0.060
  400   1HB   TRP  63          2HB       TRP  63   6.046   1.779   1.779
  401   2HB   TRP  63          1HB       TRP  63   7.434   2.355   2.355
  402    HD1  TRP  63           HD       TRP  63   6.243   1.696   1.696
  403    HE1  TRP  63          1HE       TRP  63   8.118   2.246   2.246
  404    HE3  TRP  63          3HE       TRP  63  10.259   2.058   2.058
  405    HZ2  TRP  63          2HZ       TRP  63  10.904   2.765   2.765
  406    HZ3  TRP  63          3HZ       TRP  63  12.497   2.584   2.584
  407    HH2  TRP  63           HH       TRP  63  12.836   2.916   2.916
  408    H    ILE  64           H        ILE  64   8.462   0.973   0.973
  409    HA   ILE  64           HA       ILE  64   6.121   0.488   0.488
  410    HB   ILE  64           HB       ILE  64   7.683  -1.424  -1.424
  411   1HD1  ILE  64          1HD1      ILE  64   9.078  -1.650  -1.650
  412   2HD1  ILE  64          3HD1      ILE  64   7.656  -1.731  -1.731
  413   3HD1  ILE  64          2HD1      ILE  64   7.689  -2.625  -2.625
  414    H    GLY  65           H        GLY  65   9.332   2.032   2.032
  415   1HA   GLY  65          2HA       GLY  65   8.822   4.600   4.600
  416   2HA   GLY  65          1HA       GLY  65   8.637   3.971   3.971
  417    H    GLY  66           H        GLY  66  10.392   5.251   5.251
  418   1HA   GLY  66          2HA       GLY  66  12.583   5.352   5.352
  419   2HA   GLY  66          1HA       GLY  66  12.970   3.958   3.958
  420    H    SER  67           H        SER  67  14.036   6.911   6.911
  421    HA   SER  67           HA       SER  67  14.816   7.209   7.209
  422   1HB   SER  67          2HB       SER  67  14.268   9.737   9.737
  423   2HB   SER  67          1HB       SER  67  12.967   8.615   8.615
  424    HG   SER  67           HG       SER  67  12.048   9.261   9.261
  425    H    ALA  68           H        ALA  68  16.911   7.564   7.564
  426    HA   ALA  68           HA       ALA  68  18.207   9.475   9.475
  427   1HB   ALA  68          1HB       ALA  68  18.635   6.515   6.515
  428   2HB   ALA  68          3HB       ALA  68  19.953   7.648   7.648
  429   3HB   ALA  68          2HB       ALA  68  18.453   7.762   7.762
  430    H    CYS  69           H        CYS  69  19.437  10.576  10.576
  431    HA   CYS  69           HA       CYS  69  21.015   9.075   9.075
  432   1HB   CYS  69          2HB       CYS  69  19.714  11.781  11.781
  433   2HB   CYS  69          1HB       CYS  69  20.711  10.915  10.915
  434    H    LEU  70           H        LEU  70  21.710  10.052  10.052
  435    HA   LEU  70           HA       LEU  70  23.920  11.852  11.852
  436   1HB   LEU  70          2HB       LEU  70  21.961  12.845  12.845
  437   2HB   LEU  70          1HB       LEU  70  22.778  11.988  11.988
  438    HG   LEU  70           HG       LEU  70  24.414  13.678  13.678
  439   1HD1  LEU  70          1HD1      LEU  70  22.253  14.870  14.870
  440   2HD1  LEU  70          3HD1      LEU  70  23.248  14.930  14.930
  441   3HD1  LEU  70          2HD1      LEU  70  23.812  15.693  15.693
  442   1HD2  LEU  70          1HD2      LEU  70  24.523  12.923  12.923
  443   2HD2  LEU  70          3HD2      LEU  70  25.576  12.332  12.332
  444   3HD2  LEU  70          2HD2      LEU  70  25.667  14.019  14.019
  445    H    GLN  71           H        GLN  71  22.739   9.591   9.591
  446    HA   GLN  71           HA       GLN  71  25.418   8.390   8.390
  447   1HB   GLN  71          2HB       GLN  71  23.994   9.733   9.733
  448   2HB   GLN  71          1HB       GLN  71  24.886   8.252   8.252
  449   1HG   GLN  71          2HG       GLN  71  26.152  10.479  10.479
  450   2HG   GLN  71          1HG       GLN  71  26.162  10.505  10.505
  451    H    ALA  72           H        ALA  72  25.391   6.294   6.294
  452    HA   ALA  72           HA       ALA  72  22.875   4.878   4.878
  453   1HB   ALA  72          1HB       ALA  72  25.211   4.159   4.159
  454   2HB   ALA  72          3HB       ALA  72  25.459   3.523   3.523
  455   3HB   ALA  72          2HB       ALA  72  24.126   2.924   2.924
  456    H    GLY  73           H        GLY  73  23.208   6.528   6.528
  457   1HA   GLY  73          2HA       GLY  73  22.235   4.664   4.664
  458   2HA   GLY  73          1HA       GLY  73  23.856   5.229   5.229
  459    H    ALA  74           H        ALA  74  21.437   7.165   7.165
  460    HA   ALA  74           HA       ALA  74  20.874   8.685   8.685
  461   1HB   ALA  74          1HB       ALA  74  22.386   9.693   9.693
  462   2HB   ALA  74          3HB       ALA  74  21.201  10.777  10.777
  463   3HB   ALA  74          2HB       ALA  74  22.528  10.139  10.139
  464    H    TRP  75           H        TRP  75  18.980   7.202   7.202
  465    HA   TRP  75           HA       TRP  75  16.931   8.893   8.893
  466   1HB   TRP  75          2HB       TRP  75  16.432   7.760   7.760
  467   2HB   TRP  75          1HB       TRP  75  18.039   8.455   8.455
  468    HD1  TRP  75           HD       TRP  75  19.599   6.113   6.113
  469    HE1  TRP  75          1HE       TRP  75  20.043   3.925   3.925
  470    HE3  TRP  75          3HE       TRP  75  15.939   6.402   6.402
  471    HZ2  TRP  75          2HZ       TRP  75  18.993   2.500   2.500
  472    HZ3  TRP  75          3HZ       TRP  75  15.688   4.639   4.639
  473    HH2  TRP  75           HH       TRP  75  17.213   2.694   2.694
  474    H    THR  76           H        THR  76  15.109   7.000   7.000
  475    HA   THR  76           HA       THR  76  15.017   4.918   4.918
  476    HB   THR  76           HB       THR  76  12.492   5.739   5.739
  477    HG1  THR  76          1HG       THR  76  12.583   8.061   8.061
  478    H    TRP  77           H        TRP  77  12.693   3.833   3.833
  479    HA   TRP  77           HA       TRP  77  12.653   2.756   2.756
  480   1HB   TRP  77          2HB       TRP  77  11.959   1.812   1.812
  481   2HB   TRP  77          1HB       TRP  77  10.460   1.838   1.838
  482    HD1  TRP  77           HD       TRP  77  12.374  -0.756  -0.756
  483    HE1  TRP  77          1HE       TRP  77  12.963  -2.424  -2.424
  484    HE3  TRP  77          3HE       TRP  77  11.478   2.167   2.167
  485    HZ2  TRP  77          2HZ       TRP  77  13.042  -2.505  -2.505
  486    HZ3  TRP  77          3HZ       TRP  77  11.816   1.277   1.277
  487    HH2  TRP  77           HH       TRP  77  12.597  -1.055  -1.055
  488    H    SER  78           H        SER  78   9.878   2.182   2.182
  489    HA   SER  78           HA       SER  78   8.947   4.452   4.452
  490   1HB   SER  78          2HB       SER  78   6.702   3.297   3.297
  491   2HB   SER  78          1HB       SER  78   8.014   2.321   2.321
  492    HG   SER  78           HG       SER  78   6.843   1.148   1.148
  493    H    ASP  79           H        ASP  79   8.132   3.248   3.248
  494    HA   ASP  79           HA       ASP  79   7.492   5.955   5.955
  495   1HB   ASP  79          2HB       ASP  79   5.383   4.768   4.768
  496   2HB   ASP  79          1HB       ASP  79   5.345   3.932   3.932
  497    H    GLY  80           H        GLY  80   9.471   3.968   3.968
  498   1HA   GLY  80          2HA       GLY  80  10.541   3.467   3.467
  499   2HA   GLY  80          1HA       GLY  80   9.095   3.980   3.980
  500    H    THR  81           H        THR  81  10.969   1.423   1.423
  501    HA   THR  81           HA       THR  81   9.117  -0.456  -0.456
  502    HB   THR  81           HB       THR  81   8.173  -0.492  -0.492
  503    HG1  THR  81          1HG       THR  81   8.355  -2.654  -2.654
  504    HA   PRO  82           HA       PRO  82  13.104  -2.279  -2.279
  505   1HB   PRO  82          2HB       PRO  82  12.293  -4.592  -4.592
  506   2HB   PRO  82          1HB       PRO  82  12.220  -3.005  -3.005
  507   1HG   PRO  82          2HG       PRO  82  10.026  -4.679  -4.679
  508   2HG   PRO  82          1HG       PRO  82   9.982  -3.388  -3.388
  509   1HD   PRO  82          2HD       PRO  82   9.213  -3.215  -3.215
  510   2HD   PRO  82          1HD       PRO  82   9.260  -1.899  -1.899
  511    H    MET  83           H        MET  83  12.103  -2.775  -2.775
  512    HA   MET  83           HA       MET  83  12.504  -4.136  -4.136
  513   1HB   MET  83          2HB       MET  83  14.602  -4.958  -4.958
  514   2HB   MET  83          1HB       MET  83  14.376  -5.927  -5.927
  515   1HG   MET  83          2HG       MET  83  15.059  -4.231  -4.231
  516   2HG   MET  83          1HG       MET  83  14.500  -2.961  -2.961
  517   1HE   MET  83          1HE       MET  83  15.548  -1.699  -1.699
  518   2HE   MET  83          3HE       MET  83  16.230  -2.461  -2.461
  519   3HE   MET  83          2HE       MET  83  17.275  -1.584  -1.584
  520    H    ASN  84           H        ASN  84  10.791  -5.356  -5.356
  521    HA   ASN  84           HA       ASN  84  10.422  -7.879  -7.879
  522   1HB   ASN  84          2HB       ASN  84   8.014  -7.725  -7.725
  523   2HB   ASN  84          1HB       ASN  84   8.522  -6.436  -6.436
  524   1HD2  ASN  84          1HD2      ASN  84   9.113  -4.306  -4.306
  525   2HD2  ASN  84          2HD2      ASN  84   8.319  -3.885  -3.885
  526    H    PHE  85           H        PHE  85   9.539  -9.667  -9.667
  527    HA   PHE  85           HA       PHE  85   9.603 -11.100 -11.100
  528   1HB   PHE  85          2HB       PHE  85   9.115  -8.454  -8.454
  529   2HB   PHE  85          1HB       PHE  85   9.358  -9.918  -9.918
  530    HD1  PHE  85          1HD       PHE  85   7.543  -9.190  -9.190
  531    HD2  PHE  85          2HD       PHE  85   7.329 -10.737 -10.737
  532    HE1  PHE  85          1HE       PHE  85   5.179  -9.830  -9.830
  533    HE2  PHE  85          2HE       PHE  85   4.961 -11.374 -11.374
  534    HZ   PHE  85           HZ       PHE  85   3.889 -10.922 -10.922
  535    H    ARG  86           H        ARG  86  11.763 -11.735 -11.735
  536    HA   ARG  86           HA       ARG  86  13.755 -10.449 -10.449
  537   1HB   ARG  86          2HB       ARG  86  14.443 -11.997 -11.997
  538   2HB   ARG  86          1HB       ARG  86  15.478 -10.924 -10.924
  539   1HG   ARG  86          2HG       ARG  86  14.205  -8.984  -8.984
  540   2HG   ARG  86          1HG       ARG  86  12.988  -9.994  -9.994
  541   1HD   ARG  86          2HD       ARG  86  15.844 -10.266 -10.266
  542   2HD   ARG  86          1HD       ARG  86  14.927  -8.872  -8.872
  543    HE   ARG  86           HE       ARG  86  13.247 -10.689 -10.689
  544   1HH1  ARG  86          1HH2      ARG  86  16.309 -10.126 -10.126
  545   2HH1  ARG  86          2HH2      ARG  86  16.568 -11.677 -11.677
  546   1HH2  ARG  86          1HH1      ARG  86  13.743 -13.105 -13.105
  547   2HH2  ARG  86          2HH1      ARG  86  15.115 -13.365 -13.365
  548    H    SER  87           H        SER  87  15.737 -12.551 -12.551
  549    HA   SER  87           HA       SER  87  16.275 -14.747 -14.747
  550   1HB   SER  87          2HB       SER  87  13.800 -15.374 -15.374
  551   2HB   SER  87          1HB       SER  87  13.608 -15.156 -15.156
  552    HG   SER  87           HG       SER  87  15.209 -16.710 -16.710
  553    H    TRP  88           H        TRP  88  15.017 -12.284 -12.284
  554    HA   TRP  88           HA       TRP  88  15.440 -13.226 -13.226
  555   1HB   TRP  88          2HB       TRP  88  15.607 -10.868 -10.868
  556   2HB   TRP  88          1HB       TRP  88  14.327 -11.084 -11.084
  557    HD1  TRP  88           HD       TRP  88  14.997 -10.435 -10.435
  558    HE1  TRP  88          1HE       TRP  88  16.567  -8.596  -8.596
  559    HE3  TRP  88          3HE       TRP  88  17.670  -9.487  -9.487
  560    HZ2  TRP  88          2HZ       TRP  88  18.681  -6.931  -6.931
  561    HZ3  TRP  88          3HZ       TRP  88  19.455  -7.768  -7.768
  562    HH2  TRP  88           HH       TRP  88  19.963  -6.490  -6.490
  563    H    CYS  89           H        CYS  89  17.273 -11.637 -11.637
  564    HA   CYS  89           HA       CYS  89  19.690 -13.037 -13.037
  565   1HB   CYS  89          2HB       CYS  89  19.244 -10.291 -10.291
  566   2HB   CYS  89          1HB       CYS  89  20.643 -11.324 -11.324
  567    H    SER  90           H        SER  90  21.799 -11.442 -11.442
  568    HA   SER  90           HA       SER  90  21.594  -9.930  -9.930
  569   1HB   SER  90          2HB       SER  90  23.367 -12.240 -12.240
  570   2HB   SER  90          1HB       SER  90  24.041 -10.925 -10.925
  571    HG   SER  90           HG       SER  90  22.128 -11.165 -11.165
  572    H    THR  91           H        THR  91  21.983  -7.902  -7.902
  573    HA   THR  91           HA       THR  91  24.573  -7.232  -7.232
  574    HB   THR  91           HB       THR  91  22.388  -6.098  -6.098
  575    HG1  THR  91          1HG       THR  91  21.944  -7.902  -7.902
  576    H    LYS  92           H        LYS  92  24.961  -4.930  -4.930
  577    HA   LYS  92           HA       LYS  92  23.152  -2.948  -2.948
  578   1HB   LYS  92          2HB       LYS  92  23.466  -4.629  -4.629
  579   2HB   LYS  92          1HB       LYS  92  24.625  -3.345  -3.345
  580   1HG   LYS  92          2HG       LYS  92  22.627  -1.771  -1.771
  581   2HG   LYS  92          1HG       LYS  92  21.645  -3.176  -3.176
  582   1HD   LYS  92          2HD       LYS  92  21.765  -2.083  -2.083
  583   2HD   LYS  92          1HD       LYS  92  23.126  -3.197  -3.197
  584   1HE   LYS  92          2HE       LYS  92  23.720  -0.585  -0.585
  585   2HE   LYS  92          1HE       LYS  92  23.345  -0.530  -0.530
  586   1HZ   LYS  92          3HZ       LYS  92  24.987  -2.533  -2.533
  587   2HZ   LYS  92          2HZ       LYS  92  25.564  -1.864  -1.864
  588   3HZ   LYS  92          1HZ       LYS  92  25.577  -0.944  -0.944
  589    HA   PRO  93           HA       PRO  93  27.533  -1.284  -1.284
  590   1HB   PRO  93          2HB       PRO  93  29.630  -3.004  -3.004
  591   2HB   PRO  93          1HB       PRO  93  28.610  -2.435  -2.435
  592   1HG   PRO  93          2HG       PRO  93  28.723  -5.097  -5.097
  593   2HG   PRO  93          1HG       PRO  93  28.133  -4.633  -4.633
  594   1HD   PRO  93          2HD       PRO  93  26.568  -5.202  -5.202
  595   2HD   PRO  93          1HD       PRO  93  25.985  -4.644  -4.644
  596    H    ASP  94           H        ASP  94  26.598  -1.560  -1.560
  597    HA   ASP  94           HA       ASP  94  28.925  -1.606  -1.606
  598   1HB   ASP  94          2HB       ASP  94  27.088  -3.951  -3.951
  599   2HB   ASP  94          1HB       ASP  94  27.646  -3.378  -3.378
  600    H    ASP  95           H        ASP  95  26.743   0.188   0.188
  601    HA   ASP  95           HA       ASP  95  26.012   1.009   1.009
  602   1HB   ASP  95          2HB       ASP  95  23.940   0.075   0.075
  603   2HB   ASP  95          1HB       ASP  95  23.552   1.205   1.205
  604    H    VAL  96           H        VAL  96  24.485   1.691   1.691
  605    HA   VAL  96           HA       VAL  96  24.317   3.613   3.613
  606    HB   VAL  96           HB       VAL  96  26.965   4.274   4.274
  607    H    LEU  97           H        LEU  97  25.995   5.167   5.167
  608    HA   LEU  97           HA       LEU  97  23.845   7.070   7.070
  609   1HB   LEU  97          2HB       LEU  97  26.518   7.213   7.213
  610   2HB   LEU  97          1HB       LEU  97  25.918   6.911   6.911
  611    HG   LEU  97           HG       LEU  97  26.033   9.325   9.325
  612   1HD1  LEU  97          1HD1      LEU  97  24.033   8.126   8.126
  613   2HD1  LEU  97          3HD1      LEU  97  23.098   8.720   8.720
  614   3HD1  LEU  97          2HD1      LEU  97  23.958   9.856   9.856
  615   1HD2  LEU  97          3HD2      LEU  97  25.616   8.920   8.920
  616   2HD2  LEU  97          2HD2      LEU  97  24.972  10.388  10.388
  617   3HD2  LEU  97          1HD2      LEU  97  23.908   9.016   9.016
  618    H    ALA  98           H        ALA  98  24.891   4.130   4.130
  619    HA   ALA  98           HA       ALA  98  23.456   4.442   4.442
  620   1HB   ALA  98          3HB       ALA  98  25.336   2.771   2.771
  621   2HB   ALA  98          2HB       ALA  98  24.066   1.784   1.784
  622   3HB   ALA  98          1HB       ALA  98  23.994   2.196   2.196
  623    H    ALA  99           H        ALA  99  22.328   3.941   3.941
  624    HA   ALA  99           HA       ALA  99  19.699   3.162   3.162
  625   1HB   ALA  99          3HB       ALA  99  21.173   1.280   1.280
  626   2HB   ALA  99          2HB       ALA  99  20.475   2.039   2.039
  627   3HB   ALA  99          1HB       ALA  99  19.421   1.368   1.368
  628    H    CYS 100           H        CYS 100  18.082   4.349   4.349
  629    HA   CYS 100           HA       CYS 100  18.570   5.962   5.962
  630   1HB   CYS 100          2HB       CYS 100  17.520   6.779   6.779
  631   2HB   CYS 100          1HB       CYS 100  16.915   7.594   7.594
  632    H    CYS 101           H        CYS 101  16.049   4.807   4.807
  633    HA   CYS 101           HA       CYS 101  14.141   4.775   4.775
  634   1HB   CYS 101          2HB       CYS 101  13.747   4.373   4.373
  635   2HB   CYS 101          1HB       CYS 101  12.447   4.282   4.282
  636    H    MET 102           H        MET 102  14.948   3.022   3.022
  637    HA   MET 102           HA       MET 102  15.667   0.517   0.517
  638   1HB   MET 102          2HB       MET 102  15.672   1.554   1.554
  639   2HB   MET 102          1HB       MET 102  14.205   0.583   0.583
  640   1HG   MET 102          2HG       MET 102  16.811  -0.535  -0.535
  641   2HG   MET 102          1HG       MET 102  16.372  -0.601  -0.601
  642   1HE   MET 102          1HE       MET 102  17.032  -3.180  -3.180
  643   2HE   MET 102          3HE       MET 102  16.117  -3.018  -3.018
  644   3HE   MET 102          2HE       MET 102  15.644  -4.221  -4.221
  645    H    GLN 103           H        GLN 103  14.531  -1.029  -1.029
  646    HA   GLN 103           HA       GLN 103  11.638  -1.173  -1.173
  647   1HB   GLN 103          2HB       GLN 103  12.554  -0.097  -0.097
  648   2HB   GLN 103          1HB       GLN 103  12.431  -1.785  -1.785
  649   1HG   GLN 103          2HG       GLN 103  10.282   0.069   0.069
  650   2HG   GLN 103          1HG       GLN 103  10.267  -0.955  -0.955
  651    H    MET 104           H        MET 104  11.561  -3.371  -3.371
  652    HA   MET 104           HA       MET 104  13.027  -5.452  -5.452
  653   1HB   MET 104          2HB       MET 104  10.199  -5.768  -5.768
  654   2HB   MET 104          1HB       MET 104  11.138  -6.939  -6.939
  655   1HG   MET 104          2HG       MET 104  11.064  -5.614  -5.614
  656   2HG   MET 104          1HG       MET 104  10.567  -4.176  -4.176
  657   1HE   MET 104          1HE       MET 104   9.270  -3.902  -3.902
  658   2HE   MET 104          3HE       MET 104   7.523  -4.066  -4.066
  659   3HE   MET 104          2HE       MET 104   8.394  -5.199  -5.199
  660    H    THR 105           H        THR 105  13.301  -3.961  -3.961
  661    HA   THR 105           HA       THR 105  13.512  -4.396  -4.396
  662    HB   THR 105           HB       THR 105  15.695  -4.832  -4.832
  663    HG1  THR 105          1HG       THR 105  15.053  -6.906  -6.906
  664    H    ALA 106           H        ALA 106  11.098  -5.409  -5.409
  665    HA   ALA 106           HA       ALA 106   9.562  -6.731  -6.731
  666   1HB   ALA 106          3HB       ALA 106  11.365  -7.046  -7.046
  667   2HB   ALA 106          2HB       ALA 106  11.770  -8.549  -8.549
  668   3HB   ALA 106          1HB       ALA 106  10.159  -8.325  -8.325
  669    H    ALA 107           H        ALA 107  12.246  -8.723  -8.723
  670    HA   ALA 107           HA       ALA 107  12.235 -10.263 -10.263
  671   1HB   ALA 107          1HB       ALA 107  10.316  -8.649  -8.649
  672   2HB   ALA 107          3HB       ALA 107   9.311 -10.040 -10.040
  673   3HB   ALA 107          2HB       ALA 107  10.635 -10.219 -10.219
  674    H    ALA 108           H        ALA 108  10.650 -12.253 -12.253
  675    HA   ALA 108           HA       ALA 108   9.695 -14.252 -14.252
  676   1HB   ALA 108          3HB       ALA 108   8.267 -12.637 -12.637
  677   2HB   ALA 108          2HB       ALA 108   9.236 -13.375 -13.375
  678   3HB   ALA 108          1HB       ALA 108   8.228 -14.384 -14.384
  679    H    ASP 109           H        ASP 109  11.443 -12.848 -12.848
  680    HA   ASP 109           HA       ASP 109  13.220 -15.187 -15.187
  681   1HB   ASP 109          2HB       ASP 109  12.179 -13.734 -13.734
  682   2HB   ASP 109          1HB       ASP 109  13.357 -15.047 -15.047
  683    H    GLN 110           H        GLN 110  12.972 -12.034 -12.034
  684    HA   GLN 110           HA       GLN 110  15.697 -11.490 -11.490
  685   1HB   GLN 110          2HB       GLN 110  13.299  -9.775  -9.775
  686   2HB   GLN 110          1HB       GLN 110  14.862  -9.015  -9.015
  687   1HG   GLN 110          2HG       GLN 110  15.024  -9.207  -9.207
  688   2HG   GLN 110          1HG       GLN 110  15.621 -10.810 -10.810
  689    H    CYS 111           H        CYS 111  13.767 -12.049 -12.049
  690    HA   CYS 111           HA       CYS 111  13.607 -11.355 -11.355
  691   1HB   CYS 111          2HB       CYS 111  15.685 -11.503 -11.503
  692   2HB   CYS 111          1HB       CYS 111  15.724 -12.659 -12.659
  693    H    TRP 112           H        TRP 112  15.119  -9.665  -9.665
  694    HA   TRP 112           HA       TRP 112  14.076  -7.091  -7.091
  695   1HB   TRP 112          2HB       TRP 112  15.271  -8.109  -8.109
  696   2HB   TRP 112          1HB       TRP 112  14.943  -6.398  -6.398
  697    HD1  TRP 112           HD       TRP 112  12.710  -9.309  -9.309
  698    HE1  TRP 112          1HE       TRP 112  10.398  -9.059  -9.059
  699    HE3  TRP 112          3HE       TRP 112  13.640  -5.354  -5.354
  700    HZ2  TRP 112          2HZ       TRP 112   9.112  -7.402  -7.402
  701    HZ3  TRP 112          3HZ       TRP 112  11.855  -4.464  -4.464
  702    HH2  TRP 112           HH       TRP 112   9.595  -5.481  -5.481
  703    H    ASP 113           H        ASP 113  15.368  -5.123  -5.123
  704    HA   ASP 113           HA       ASP 113  18.164  -5.070  -5.070
  705   1HB   ASP 113          2HB       ASP 113  17.659  -6.388  -6.388
  706   2HB   ASP 113          1HB       ASP 113  17.544  -4.740  -4.740
  707    H    ASP 114           H        ASP 114  18.898  -2.985  -2.985
  708    HA   ASP 114           HA       ASP 114  17.014  -0.880  -0.880
  709   1HB   ASP 114          2HB       ASP 114  19.992  -0.606  -0.606
  710   2HB   ASP 114          1HB       ASP 114  18.908   0.601   0.601
  711    H    LEU 115           H        LEU 115  16.385   0.669   0.669
  712    HA   LEU 115           HA       LEU 115  17.352   0.285   0.285
  713   1HB   LEU 115          2HB       LEU 115  14.635   0.606   0.606
  714   2HB   LEU 115          1HB       LEU 115  14.964   1.607   1.607
  715    HG   LEU 115           HG       LEU 115  15.869  -0.502  -0.502
  716   1HD1  LEU 115          2HD1      LEU 115  15.847  -1.601  -1.601
  717   2HD1  LEU 115          1HD1      LEU 115  14.218  -2.063  -2.063
  718   3HD1  LEU 115          3HD1      LEU 115  15.610  -2.574  -2.574
  719   1HD2  LEU 115          3HD2      LEU 115  13.406   0.575   0.575
  720   2HD2  LEU 115          2HD2      LEU 115  13.785  -0.904  -0.904
  721   3HD2  LEU 115          1HD2      LEU 115  13.005  -0.994  -0.994
  722    HA   PRO 116           HA       PRO 116  18.675   4.493   4.493
  723   1HB   PRO 116          2HB       PRO 116  18.637   5.137   5.137
  724   2HB   PRO 116          1HB       PRO 116  19.885   4.135   4.135
  725   1HG   PRO 116          2HG       PRO 116  17.608   3.325   3.325
  726   2HG   PRO 116          1HG       PRO 116  19.205   2.586   2.586
  727   1HD   PRO 116          2HD       PRO 116  16.841   1.633   1.633
  728   2HD   PRO 116          1HD       PRO 116  18.488   1.197   1.197
  729    H    CYS 117           H        CYS 117  15.598   3.582   3.582
  730    HA   CYS 117           HA       CYS 117  13.628   4.683   4.683
  731   1HB   CYS 117          2HB       CYS 117  15.162   6.786   6.786
  732   2HB   CYS 117          1HB       CYS 117  14.442   7.410   7.410
  733    HA   PRO 118           HA       PRO 118  13.038   6.110   6.110
  734   1HB   PRO 118          2HB       PRO 118  15.148   6.029   6.029
  735   2HB   PRO 118          1HB       PRO 118  14.707   7.453   7.453
  736   1HG   PRO 118          2HG       PRO 118  16.971   5.589   5.589
  737   2HG   PRO 118          1HG       PRO 118  16.809   7.275   7.275
  738   1HD   PRO 118          2HD       PRO 118  16.528   4.965   4.965
  739   2HD   PRO 118          1HD       PRO 118  16.160   6.643   6.643
  740    H    ALA 119           H        ALA 119  12.212   3.885   3.885
  741    HA   ALA 119           HA       ALA 119  12.964   2.019   2.019
  742   1HB   ALA 119          3HB       ALA 119  13.990   1.396   1.396
  743   2HB   ALA 119          2HB       ALA 119  12.332   0.970   0.970
  744   3HB   ALA 119          1HB       ALA 119  13.142   0.153   0.153
  745    H    SER 120           H        SER 120  11.020   3.808   3.808
  746    HA   SER 120           HA       SER 120   8.585   3.700   3.700
  747   1HB   SER 120          2HB       SER 120   7.642   4.293   4.293
  748   2HB   SER 120          1HB       SER 120   9.185   5.103   5.103
  749    HG   SER 120           HG       SER 120   8.703   3.898   3.898
  750    H    HIS 121           H        HIS 121   8.030   1.683   1.683
  751    HA   HIS 121           HA       HIS 121   7.022  -0.220  -0.220
  752   1HB   HIS 121          2HB       HIS 121   8.290  -0.635  -0.635
  753   2HB   HIS 121          1HB       HIS 121   7.182  -1.833  -1.833
  754    HD1  HIS 121          1HD       HIS 121  10.654  -1.167  -1.167
  755    HD2  HIS 121          2HD       HIS 121   8.061  -2.329  -2.329
  756    HE1  HIS 121          1HE       HIS 121  12.096  -2.173  -2.173
  757    H    LYS 122           H        LYS 122   5.331  -1.711  -1.711
  758    HA   LYS 122           HA       LYS 122   2.948  -0.384  -0.384
  759   1HB   LYS 122          2HB       LYS 122   3.258  -2.867  -2.867
  760   2HB   LYS 122          1HB       LYS 122   3.711  -2.768  -2.768
  761   1HG   LYS 122          2HG       LYS 122   1.190  -1.386  -1.386
  762   2HG   LYS 122          1HG       LYS 122   1.150  -3.140  -3.140
  763   1HD   LYS 122          2HD       LYS 122   2.079  -1.686  -1.686
  764   2HD   LYS 122          1HD       LYS 122   0.482  -2.402  -2.402
  765   1HE   LYS 122          2HE       LYS 122   1.821  -4.574  -4.574
  766   2HE   LYS 122          1HE       LYS 122   3.148  -3.771  -3.771
  767   1HZ   LYS 122          2HZ       LYS 122   0.509  -3.863  -3.863
  768   2HZ   LYS 122          1HZ       LYS 122   1.476  -5.260  -5.260
  769   3HZ   LYS 122          3HZ       LYS 122   2.053  -3.822  -3.822
  770    H    SER 123           H        SER 123   1.653   0.419   0.419
  771    HA   SER 123           HA       SER 123   3.247   1.373   1.373
  772   1HB   SER 123          2HB       SER 123   1.903   2.933   2.933
  773   2HB   SER 123          1HB       SER 123   0.546   2.483   2.483
  774    HG   SER 123           HG       SER 123   1.336   4.082   4.082
  775    H    VAL 124           H        VAL 124   2.406   1.274   1.274
  776    HA   VAL 124           HA       VAL 124   0.111  -0.561  -0.561
  777    HB   VAL 124           HB       VAL 124   2.239  -1.734  -1.734
  778    H    CYS 125           H        CYS 125  -1.469   0.312   0.312
  779    HA   CYS 125           HA       CYS 125  -0.789   2.340   2.340
  780   1HB   CYS 125          2HB       CYS 125  -2.887   2.485   2.485
  781   2HB   CYS 125          1HB       CYS 125  -3.065   3.387   3.387
  782    H    ALA 126           H        ALA 126  -1.742   2.057   2.057
  783    HA   ALA 126           HA       ALA 126  -3.998   0.152   0.152
  784   1HB   ALA 126          3HB       ALA 126  -1.562   0.244   0.244
  785   2HB   ALA 126          2HB       ALA 126  -2.999  -0.736  -0.736
  786   3HB   ALA 126          1HB       ALA 126  -1.988  -1.052  -1.052
  787    H    MET 127           H        MET 127  -5.238   0.367   0.367
  788    HA   MET 127           HA       MET 127  -4.943   2.888   2.888
  789   1HB   MET 127          2HB       MET 127  -7.207   2.235   2.235
  790   2HB   MET 127          1HB       MET 127  -7.522   3.181   3.181
  791   1HG   MET 127          2HG       MET 127  -5.326   3.896   3.896
  792   2HG   MET 127          1HG       MET 127  -6.966   4.524   4.524
  793   1HE   MET 127          3HE       MET 127  -8.039   5.937   5.937
  794   2HE   MET 127          2HE       MET 127  -8.058   5.684   5.684
  795   3HE   MET 127          1HE       MET 127  -7.433   7.194   7.194
  796    H    THR 128           H        THR 128  -6.257   2.961   2.961
  797    HA   THR 128           HA       THR 128  -7.653   0.502   0.502
  798    HB   THR 128           HB       THR 128  -5.379  -0.003  -0.003
  799    HG1  THR 128          1HG       THR 128  -6.544  -0.762  -0.762
  800    H    PHE 129           H        PHE 129  -8.476   0.779   0.779
  801    HA   PHE 129           HA       PHE 129  -9.373   3.580   3.580
  802   1HB   PHE 129          2HB       PHE 129 -11.456   2.610   2.610
  803   2HB   PHE 129          1HB       PHE 129 -11.256   2.239   2.239
  804    HD1  PHE 129          1HD       PHE 129 -11.102   0.884   0.884
  805    HD2  PHE 129          2HD       PHE 129 -10.741  -0.015  -0.015
  806    HE1  PHE 129          1HE       PHE 129 -11.189  -1.541  -1.541
  807    HE2  PHE 129          2HE       PHE 129 -10.828  -2.440  -2.440
  808    HZ   PHE 129           HZ       PHE 129 -11.052  -3.203  -3.203

  Start of MODEL    4
    1   1H    GLN   1          1HT       GLN   1 -18.127  11.261  11.261
    2   2H    GLN   1          3HT       GLN   1 -17.274  12.716  12.716
    3   3H    GLN   1          2HT       GLN   1 -18.447  12.271  12.271
    4    HA   GLN   1           HA       GLN   1 -20.214  12.697  12.697
    5   1HB   GLN   1          2HB       GLN   1 -18.918  14.733  14.733
    6   2HB   GLN   1          1HB       GLN   1 -18.141  14.759  14.759
    7   1HG   GLN   1          2HG       GLN   1 -19.936  16.177  16.177
    8   2HG   GLN   1          1HG       GLN   1 -20.642  14.631  14.631
    9    H    ARG   2           H        ARG   2 -17.272  13.294  13.294
   10    HA   ARG   2           HA       ARG   2 -18.676  12.121  12.121
   11   1HB   ARG   2          2HB       ARG   2 -16.722  14.377  14.377
   12   2HB   ARG   2          1HB       ARG   2 -16.762  13.439  13.439
   13   1HG   ARG   2          2HG       ARG   2 -19.323  13.813  13.813
   14   2HG   ARG   2          1HG       ARG   2 -18.965  15.083  15.083
   15   1HD   ARG   2          2HD       ARG   2 -17.162  15.742  15.742
   16   2HD   ARG   2          1HD       ARG   2 -18.342  14.955  14.955
   17    HE   ARG   2           HE       ARG   2 -19.914  16.625  16.625
   18   1HH1  ARG   2          1HH1      ARG   2 -18.091  16.992  16.992
   19   2HH1  ARG   2          2HH1      ARG   2 -17.806  18.693  18.693
   20   1HH2  ARG   2          1HH2      ARG   2 -19.006  18.884  18.884
   21   2HH2  ARG   2          2HH2      ARG   2 -18.323  19.765  19.765
   22    H    ALA   3           H        ALA   3 -17.244  10.623  10.623
   23    HA   ALA   3           HA       ALA   3 -14.803   9.764   9.764
   24   1HB   ALA   3          2HB       ALA   3 -15.889   9.129   9.129
   25   2HB   ALA   3          1HB       ALA   3 -14.449   8.374   8.374
   26   3HB   ALA   3          3HB       ALA   3 -14.480  10.113  10.113
   27    H    GLY   4           H        GLY   4 -15.088   8.254   8.254
   28   1HA   GLY   4          2HA       GLY   4 -15.747   5.671   5.671
   29   2HA   GLY   4          1HA       GLY   4 -17.340   6.408   6.408
   30    HA   PRO   5           HA       PRO   5 -15.093   6.957   6.957
   31   1HB   PRO   5          2HB       PRO   5 -12.967   5.307   5.307
   32   2HB   PRO   5          1HB       PRO   5 -12.821   6.917   6.917
   33   1HG   PRO   5          2HG       PRO   5 -12.564   4.263   4.263
   34   2HG   PRO   5          1HG       PRO   5 -11.878   5.819   5.819
   35   1HD   PRO   5          2HD       PRO   5 -14.162   4.539   4.539
   36   2HD   PRO   5          1HD       PRO   5 -13.594   6.191   6.191
   37    H    ASN   6           H        ASN   6 -16.095   6.027   6.027
   38    HA   ASN   6           HA       ASN   6 -16.897   3.201   3.201
   39   1HB   ASN   6          2HB       ASN   6 -18.000   5.539   5.539
   40   2HB   ASN   6          1HB       ASN   6 -18.443   3.879   3.879
   41   1HD2  ASN   6          1HD2      ASN   6 -20.673   4.268   4.268
   42   2HD2  ASN   6          2HD2      ASN   6 -21.033   4.366   4.366
   43    H    CYS   7           H        CYS   7 -16.137   1.690   1.690
   44    HA   CYS   7           HA       CYS   7 -14.855   2.510   2.510
   45   1HB   CYS   7          2HB       CYS   7 -13.242   2.064   2.064
   46   2HB   CYS   7          1HB       CYS   7 -13.494   0.386   0.386
   47    HA   PRO   8           HA       PRO   8 -17.459  -1.347  -1.347
   48   1HB   PRO   8          2HB       PRO   8 -19.446  -0.341  -0.341
   49   2HB   PRO   8          1HB       PRO   8 -19.487  -0.304  -0.304
   50   1HG   PRO   8          2HG       PRO   8 -19.028   1.904   1.904
   51   2HG   PRO   8          1HG       PRO   8 -19.641   1.958   1.958
   52   1HD   PRO   8          2HD       PRO   8 -16.998   2.584   2.584
   53   2HD   PRO   8          1HD       PRO   8 -17.567   2.443   2.443
   54    H    ALA   9           H        ALA   9 -15.492  -1.871  -1.871
   55    HA   ALA   9           HA       ALA   9 -14.475  -2.590  -2.590
   56   1HB   ALA   9          1HB       ALA   9 -16.704  -3.649  -3.649
   57   2HB   ALA   9          3HB       ALA   9 -17.201  -2.203  -2.203
   58   3HB   ALA   9          2HB       ALA   9 -15.885  -3.201  -3.201
   59    H    GLY  10           H        GLY  10 -14.505   0.231   0.231
   60   1HA   GLY  10          2HA       GLY  10 -14.808   1.715   1.715
   61   2HA   GLY  10          1HA       GLY  10 -14.193   2.337   2.337
   62    H    TRP  11           H        TRP  11 -12.218   0.159   0.159
   63    HA   TRP  11           HA       TRP  11 -10.219   1.288   1.288
   64   1HB   TRP  11          2HB       TRP  11 -10.128   0.055   0.055
   65   2HB   TRP  11          1HB       TRP  11  -8.737  -0.224  -0.224
   66    HD1  TRP  11           HD       TRP  11 -10.946   2.924   2.924
   67    HE1  TRP  11          1HE       TRP  11  -9.397   4.928   4.928
   68    HE3  TRP  11          3HE       TRP  11  -6.430   0.540   0.540
   69    HZ2  TRP  11          2HZ       TRP  11  -6.614   5.452   5.452
   70    HZ3  TRP  11          3HZ       TRP  11  -4.348   1.816   1.816
   71    HH2  TRP  11           HH       TRP  11  -4.433   4.266   4.266
   72    H    GLN  12           H        GLN  12 -11.117  -1.905  -1.905
   73    HA   GLN  12           HA       GLN  12 -10.509  -3.055  -3.055
   74   1HB   GLN  12          2HB       GLN  12  -8.982  -3.510  -3.510
   75   2HB   GLN  12          1HB       GLN  12  -9.831  -5.002  -5.002
   76   1HG   GLN  12          2HG       GLN  12  -8.987  -4.318  -4.318
   77   2HG   GLN  12          1HG       GLN  12  -7.707  -3.568  -3.568
   78    HA   PRO  13           HA       PRO  13 -14.209  -5.367  -5.367
   79   1HB   PRO  13          2HB       PRO  13 -13.651  -7.898  -7.898
   80   2HB   PRO  13          1HB       PRO  13 -13.834  -6.501  -6.501
   81   1HG   PRO  13          2HG       PRO  13 -11.379  -7.941  -7.941
   82   2HG   PRO  13          1HG       PRO  13 -11.703  -6.990  -6.990
   83   1HD   PRO  13          2HD       PRO  13 -10.231  -6.149  -6.149
   84   2HD   PRO  13          1HD       PRO  13 -10.759  -5.128  -5.128
   85    H    LEU  14           H        LEU  14 -11.546  -6.281  -6.281
   86    HA   LEU  14           HA       LEU  14 -12.489  -8.585  -8.585
   87   1HB   LEU  14          2HB       LEU  14 -10.630  -6.364  -6.364
   88   2HB   LEU  14          1HB       LEU  14 -11.026  -7.706  -7.706
   89    HG   LEU  14           HG       LEU  14 -10.136  -8.288  -8.288
   90   1HD1  LEU  14          1HD1      LEU  14  -8.494  -6.675  -6.675
   91   2HD1  LEU  14          3HD1      LEU  14  -8.258  -7.811  -7.811
   92   3HD1  LEU  14          2HD1      LEU  14  -7.808  -8.270  -8.270
   93   1HD2  LEU  14          2HD2      LEU  14 -10.256  -9.666  -9.666
   94   2HD2  LEU  14          1HD2      LEU  14 -10.755 -10.256 -10.256
   95   3HD2  LEU  14          3HD2      LEU  14  -9.043 -10.187 -10.187
   96    H    GLY  15           H        GLY  15 -13.641  -8.860  -8.860
   97   1HA   GLY  15          2HA       GLY  15 -15.262  -6.516  -6.516
   98   2HA   GLY  15          1HA       GLY  15 -15.856  -8.175  -8.175
   99    H    ASP  16           H        ASP  16 -13.080  -6.361  -6.361
  100    HA   ASP  16           HA       ASP  16 -13.690  -7.012  -7.012
  101   1HB   ASP  16          2HB       ASP  16 -12.326  -8.986  -8.986
  102   2HB   ASP  16          1HB       ASP  16 -10.970  -7.916  -7.916
  103    H    ARG  17           H        ARG  17 -11.310  -5.865  -5.865
  104    HA   ARG  17           HA       ARG  17 -10.851  -3.472  -3.472
  105   1HB   ARG  17          2HB       ARG  17  -8.595  -5.012  -5.012
  106   2HB   ARG  17          1HB       ARG  17  -8.453  -3.611  -3.611
  107   1HG   ARG  17          2HG       ARG  17  -9.483  -4.957  -4.957
  108   2HG   ARG  17          1HG       ARG  17  -9.466  -6.362  -6.362
  109   1HD   ARG  17          2HD       ARG  17  -6.907  -5.654  -5.654
  110   2HD   ARG  17          1HD       ARG  17  -7.189  -4.950  -4.950
  111    HE   ARG  17           HE       ARG  17  -7.499  -7.126  -7.126
  112   1HH1  ARG  17          1HH2      ARG  17  -5.536  -7.240  -7.240
  113   2HH1  ARG  17          2HH2      ARG  17  -5.885  -8.867  -8.867
  114   1HH2  ARG  17          1HH1      ARG  17  -8.606  -9.190  -9.190
  115   2HH2  ARG  17          2HH1      ARG  17  -7.624  -9.971  -9.971
  116    H    CYS  18           H        CYS  18  -8.881  -2.374  -2.374
  117    HA   CYS  18           HA       CYS  18 -10.167  -2.288  -2.288
  118   1HB   CYS  18          2HB       CYS  18  -9.904  -0.065  -0.065
  119   2HB   CYS  18          1HB       CYS  18  -9.489   0.317   0.317
  120    H    ILE  19           H        ILE  19  -8.697  -2.270  -2.270
  121    HA   ILE  19           HA       ILE  19  -5.985  -1.336  -1.336
  122    HB   ILE  19           HB       ILE  19  -5.884  -3.660  -3.660
  123   1HD1  ILE  19          2HD1      ILE  19  -4.126  -5.082  -5.082
  124   2HD1  ILE  19          1HD1      ILE  19  -4.182  -5.587  -5.587
  125   3HD1  ILE  19          3HD1      ILE  19  -2.791  -4.690  -4.690
  126    H    TYR  20           H        TYR  20  -4.657  -1.292  -1.292
  127    HA   TYR  20           HA       TYR  20  -6.245  -1.273  -1.273
  128   1HB   TYR  20          2HB       TYR  20  -4.732   0.951   0.951
  129   2HB   TYR  20          1HB       TYR  20  -4.497   0.747   0.747
  130    HD1  TYR  20          2HD       TYR  20  -7.164  -0.188  -0.188
  131    HD2  TYR  20          1HD       TYR  20  -6.115   2.815   2.815
  132    HE1  TYR  20          2HE       TYR  20  -9.303   0.985   0.985
  133    HE2  TYR  20          1HE       TYR  20  -8.256   3.981   3.981
  134    HH   TYR  20           HH       TYR  20 -10.086   3.543   3.543
  135    H    TYR  21           H        TYR  21  -4.561  -0.833  -0.833
  136    HA   TYR  21           HA       TYR  21  -1.943  -1.937  -1.937
  137   1HB   TYR  21          2HB       TYR  21  -3.871  -3.876  -3.876
  138   2HB   TYR  21          1HB       TYR  21  -3.445  -3.689  -3.689
  139    HD1  TYR  21          1HD       TYR  21  -1.990  -4.237  -4.237
  140    HD2  TYR  21          2HD       TYR  21  -1.424  -4.580  -4.580
  141    HE1  TYR  21          1HE       TYR  21   0.094  -5.525  -5.525
  142    HE2  TYR  21          2HE       TYR  21   0.661  -5.869  -5.869
  143    HH   TYR  21           HH       TYR  21   2.408  -5.879  -5.879
  144    H    GLU  22           H        GLU  22  -0.742  -2.015  -2.015
  145    HA   GLU  22           HA       GLU  22  -2.055  -0.636  -0.636
  146   1HB   GLU  22          2HB       GLU  22   0.455   0.263   0.263
  147   2HB   GLU  22          1HB       GLU  22   0.056   0.767   0.767
  148   1HG   GLU  22          2HG       GLU  22  -2.033   1.046   1.046
  149   2HG   GLU  22          1HG       GLU  22  -0.717   2.220   2.220
  150    H    THR  23           H        THR  23  -0.635  -0.628  -0.628
  151    HA   THR  23           HA       THR  23   1.255  -2.882  -2.882
  152    HB   THR  23           HB       THR  23   0.188  -3.626  -3.626
  153    HG1  THR  23          1HG       THR  23  -1.387  -2.474  -2.474
  154    H    THR  24           H        THR  24   1.517   0.038   0.038
  155    HA   THR  24           HA       THR  24   2.844   0.269   0.269
  156    HB   THR  24           HB       THR  24   0.897   1.691   1.691
  157    HG1  THR  24          1HG       THR  24   3.072   3.338   3.338
  158    H    ALA  25           H        ALA  25   4.824   1.377   1.377
  159    HA   ALA  25           HA       ALA  25   6.330   1.126   1.126
  160   1HB   ALA  25          2HB       ALA  25   6.968   1.509   1.509
  161   2HB   ALA  25          1HB       ALA  25   7.376   3.077   3.077
  162   3HB   ALA  25          3HB       ALA  25   8.109   1.608   1.608
  163    H    MET  26           H        MET  26   5.290   2.202   2.202
  164    HA   MET  26           HA       MET  26   5.758   5.108   5.108
  165   1HB   MET  26          2HB       MET  26   3.697   5.296   5.296
  166   2HB   MET  26          1HB       MET  26   3.424   5.135   5.135
  167   1HG   MET  26          2HG       MET  26   2.665   2.935   2.935
  168   2HG   MET  26          1HG       MET  26   3.515   2.667   2.667
  169   1HE   MET  26          3HE       MET  26   0.588   4.410   4.410
  170   2HE   MET  26          2HE       MET  26  -0.190   5.340   5.340
  171   3HE   MET  26          1HE       MET  26   1.439   5.764   5.764
  172    H    THR  27           H        THR  27   7.440   5.063   5.063
  173    HA   THR  27           HA       THR  27   7.739   3.330   3.330
  174    HB   THR  27           HB       THR  27   9.352   5.031   5.031
  175    HG1  THR  27          1HG       THR  27   9.916   2.971   2.971
  176    H    TRP  28           H        TRP  28   8.579   4.423   4.423
  177    HA   TRP  28           HA       TRP  28   6.811   5.194   5.194
  178   1HB   TRP  28          2HB       TRP  28   9.592   5.408   5.408
  179   2HB   TRP  28          1HB       TRP  28   9.079   6.989   6.989
  180    HD1  TRP  28           HD       TRP  28   9.624   3.463   3.463
  181    HE1  TRP  28          1HE       TRP  28   9.163   3.123   3.123
  182    HE3  TRP  28          3HE       TRP  28   7.465   7.940   7.940
  183    HZ2  TRP  28          2HZ       TRP  28   8.022   4.593   4.593
  184    HZ3  TRP  28          3HZ       TRP  28   6.701   8.457   8.457
  185    HH2  TRP  28           HH       TRP  28   6.976   6.791   6.791
  186    H    ALA  29           H        ALA  29   8.538   7.652   7.652
  187    HA   ALA  29           HA       ALA  29   7.188   9.911   9.911
  188   1HB   ALA  29          3HB       ALA  29   8.430   9.357   9.357
  189   2HB   ALA  29          2HB       ALA  29   7.873  10.947  10.947
  190   3HB   ALA  29          1HB       ALA  29   9.189  10.149  10.149
  191    H    LEU  30           H        LEU  30   6.449   7.870   7.870
  192    HA   LEU  30           HA       LEU  30   4.104   9.390   9.390
  193   1HB   LEU  30          2HB       LEU  30   5.224   6.748   6.748
  194   2HB   LEU  30          1HB       LEU  30   3.625   7.287   7.287
  195    HG   LEU  30           HG       LEU  30   6.147   8.937   8.937
  196   1HD1  LEU  30          2HD1      LEU  30   4.773   6.971   6.971
  197   2HD1  LEU  30          1HD1      LEU  30   5.639   8.347   8.347
  198   3HD1  LEU  30          3HD1      LEU  30   6.496   7.171   7.171
  199   1HD2  LEU  30          3HD2      LEU  30   3.248   9.292   9.292
  200   2HD2  LEU  30          2HD2      LEU  30   4.444  10.491  10.491
  201   3HD2  LEU  30          1HD2      LEU  30   4.411   9.915   9.915
  202    H    ALA  31           H        ALA  31   4.735   6.409   6.409
  203    HA   ALA  31           HA       ALA  31   2.018   5.632   5.632
  204   1HB   ALA  31          3HB       ALA  31   4.336   4.372   4.372
  205   2HB   ALA  31          2HB       ALA  31   3.989   4.919   4.919
  206   3HB   ALA  31          1HB       ALA  31   2.830   3.900   3.900
  207    H    GLU  32           H        GLU  32   4.263   6.916   6.916
  208    HA   GLU  32           HA       GLU  32   2.521   7.397   7.397
  209   1HB   GLU  32          2HB       GLU  32   5.045   7.746   7.746
  210   2HB   GLU  32          1HB       GLU  32   4.708   9.348   9.348
  211   1HG   GLU  32          2HG       GLU  32   3.016   9.442   9.442
  212   2HG   GLU  32          1HG       GLU  32   4.144   8.262   8.262
  213    H    THR  33           H        THR  33   3.120   9.512   9.512
  214    HA   THR  33           HA       THR  33   1.661  11.746  11.746
  215    HB   THR  33           HB       THR  33   2.077  10.755  10.755
  216    HG1  THR  33          1HG       THR  33   3.476  12.561  12.561
  217    H    ASN  34           H        ASN  34   0.566   9.320   9.320
  218    HA   ASN  34           HA       ASN  34  -2.149  10.084  10.084
  219   1HB   ASN  34          2HB       ASN  34  -0.800   8.497   8.497
  220   2HB   ASN  34          1HB       ASN  34  -1.448   7.246   7.246
  221   1HD2  ASN  34          1HD2      ASN  34  -2.229   9.413   9.413
  222   2HD2  ASN  34          2HD2      ASN  34  -3.894   9.085   9.085
  223    H    CYS  35           H        CYS  35  -0.302   7.695   7.695
  224    HA   CYS  35           HA       CYS  35  -2.490   6.435   6.435
  225   1HB   CYS  35          2HB       CYS  35   0.076   5.806   5.806
  226   2HB   CYS  35          1HB       CYS  35   0.136   6.716   6.716
  227    H    MET  36           H        MET  36  -0.180   8.800   8.800
  228    HA   MET  36           HA       MET  36  -1.558   9.278   9.278
  229   1HB   MET  36          2HB       MET  36   0.827  10.045  10.045
  230   2HB   MET  36          1HB       MET  36  -0.044  11.506  11.506
  231   1HG   MET  36          2HG       MET  36  -0.427  10.337  10.337
  232   2HG   MET  36          1HG       MET  36   0.969  11.358  11.358
  233   1HE   MET  36          2HE       MET  36  -1.445  11.406  11.406
  234   2HE   MET  36          1HE       MET  36  -0.610  12.933  12.933
  235   3HE   MET  36          3HE       MET  36  -2.349  12.918  12.918
  236    H    LYS  37           H        LYS  37  -1.701  11.044  11.044
  237    HA   LYS  37           HA       LYS  37  -3.469  13.068  13.068
  238   1HB   LYS  37          2HB       LYS  37  -2.173  12.783  12.783
  239   2HB   LYS  37          1HB       LYS  37  -3.579  11.852  11.852
  240   1HG   LYS  37          2HG       LYS  37  -4.073  14.063  14.063
  241   2HG   LYS  37          1HG       LYS  37  -4.974  13.867  13.867
  242   1HD   LYS  37          2HD       LYS  37  -2.636  14.751  14.751
  243   2HD   LYS  37          1HD       LYS  37  -2.578  15.535  15.535
  244   1HE   LYS  37          2HE       LYS  37  -5.159  15.679  15.679
  245   2HE   LYS  37          1HE       LYS  37  -3.826  16.649  16.649
  246   1HZ   LYS  37          3HZ       LYS  37  -3.558  17.324  17.324
  247   2HZ   LYS  37          2HZ       LYS  37  -5.168  16.800  16.800
  248   3HZ   LYS  37          1HZ       LYS  37  -4.775  18.052  18.052
  249    H    LEU  38           H        LEU  38  -4.056   9.705   9.705
  250    HA   LEU  38           HA       LEU  38  -6.943  10.104  10.104
  251   1HB   LEU  38          2HB       LEU  38  -5.379   8.305   8.305
  252   2HB   LEU  38          1HB       LEU  38  -5.759   7.381   7.381
  253    HG   LEU  38           HG       LEU  38  -8.220   8.079   8.079
  254   1HD1  LEU  38          2HD1      LEU  38  -7.392   9.706   9.706
  255   2HD1  LEU  38          1HD1      LEU  38  -7.158   8.273   8.273
  256   3HD1  LEU  38          3HD1      LEU  38  -8.768   8.682   8.682
  257   1HD2  LEU  38          3HD2      LEU  38  -6.525   6.010   6.010
  258   2HD2  LEU  38          2HD2      LEU  38  -7.929   5.812   5.812
  259   3HD2  LEU  38          1HD2      LEU  38  -8.151   6.230   6.230
  260    H    GLY  39           H        GLY  39  -4.545   8.953   8.953
  261   1HA   GLY  39          2HA       GLY  39  -5.054   9.252   9.252
  262   2HA   GLY  39          1HA       GLY  39  -6.685   8.686   8.686
  263    H    GLY  40           H        GLY  40  -3.746   7.794   7.794
  264   1HA   GLY  40          2HA       GLY  40  -4.078   5.366   5.366
  265   2HA   GLY  40          1HA       GLY  40  -3.956   4.969   4.969
  266    H    HIS  41           H        HIS  41  -2.015   4.068   4.068
  267    HA   HIS  41           HA       HIS  41   0.365   5.561   5.561
  268   1HB   HIS  41          2HB       HIS  41   1.542   4.305   4.305
  269   2HB   HIS  41          1HB       HIS  41   0.279   5.390   5.390
  270    HD1  HIS  41          1HD       HIS  41   0.300   3.687   3.687
  271    HD2  HIS  41          2HD       HIS  41  -1.213   2.153   2.153
  272    HE1  HIS  41          1HE       HIS  41  -1.017   1.612   1.612
  273    H    LEU  42           H        LEU  42   2.342   3.884   3.884
  274    HA   LEU  42           HA       LEU  42   2.061   2.282   2.282
  275   1HB   LEU  42          2HB       LEU  42   4.153   2.687   2.687
  276   2HB   LEU  42          1HB       LEU  42   4.253   1.199   1.199
  277    HG   LEU  42           HG       LEU  42   4.111   2.556   2.556
  278   1HD1  LEU  42          1HD1      LEU  42   2.938   4.504   4.504
  279   2HD1  LEU  42          3HD1      LEU  42   4.368   4.885   4.885
  280   3HD1  LEU  42          2HD1      LEU  42   4.431   4.998   4.998
  281   1HD2  LEU  42          2HD2      LEU  42   6.296   1.885   1.885
  282   2HD2  LEU  42          1HD2      LEU  42   6.407   3.382   3.382
  283   3HD2  LEU  42          3HD2      LEU  42   6.336   3.432   3.432
  284    H    ALA  43           H        ALA  43   2.842  -0.130  -0.130
  285    HA   ALA  43           HA       ALA  43   0.744  -1.627  -1.627
  286   1HB   ALA  43          3HB       ALA  43   2.527  -2.174  -2.174
  287   2HB   ALA  43          2HB       ALA  43   3.322  -2.995  -2.995
  288   3HB   ALA  43          1HB       ALA  43   1.679  -3.444  -3.444
  289    H    SER  44           H        SER  44   0.679  -1.042  -1.042
  290    HA   SER  44           HA       SER  44   2.932  -1.954  -1.954
  291   1HB   SER  44          2HB       SER  44   2.100   0.306   0.306
  292   2HB   SER  44          1HB       SER  44   0.478  -0.332  -0.332
  293    HG   SER  44           HG       SER  44   2.829  -0.892  -0.892
  294    H    ILE  45           H        ILE  45   2.470  -4.201  -4.201
  295    HA   ILE  45           HA       ILE  45   0.237  -5.168  -5.168
  296    HB   ILE  45           HB       ILE  45   1.142  -6.565  -6.565
  297   1HD1  ILE  45          1HD1      ILE  45   1.418  -4.475  -4.475
  298   2HD1  ILE  45          3HD1      ILE  45   0.386  -5.312  -5.312
  299   3HD1  ILE  45          2HD1      ILE  45   0.007  -3.659  -3.659
  300    H    HIS  46           H        HIS  46   0.579  -7.391  -7.391
  301    HA   HIS  46           HA       HIS  46   3.461  -7.971  -7.971
  302   1HB   HIS  46          2HB       HIS  46   2.246  -7.159  -7.159
  303   2HB   HIS  46          1HB       HIS  46   1.253  -8.612  -8.612
  304    HD1  HIS  46          1HD       HIS  46   4.971  -8.446  -8.446
  305    HD2  HIS  46          2HD       HIS  46   2.382 -10.041 -10.041
  306    HE1  HIS  46          1HE       HIS  46   6.379  -9.922  -9.922
  307    H    SER  47           H        SER  47   0.249  -9.296  -9.296
  308    HA   SER  47           HA       SER  47   0.851 -12.035 -12.035
  309   1HB   SER  47          2HB       SER  47  -1.094 -10.926 -10.926
  310   2HB   SER  47          1HB       SER  47  -1.177 -12.450 -12.450
  311    HG   SER  47           HG       SER  47  -2.024 -11.436 -11.436
  312    H    GLN  48           H        GLN  48   2.222 -13.232 -13.232
  313    HA   GLN  48           HA       GLN  48   3.645 -12.323 -12.323
  314   1HB   GLN  48          2HB       GLN  48   4.401 -14.679 -14.679
  315   2HB   GLN  48          1HB       GLN  48   4.549 -14.077 -14.077
  316   1HG   GLN  48          2HG       GLN  48   2.037 -15.078 -15.078
  317   2HG   GLN  48          1HG       GLN  48   2.731 -16.154 -16.154
  318    H    GLU  49           H        GLU  49   0.610 -14.038 -14.038
  319    HA   GLU  49           HA       GLU  49   0.427 -15.067 -15.067
  320   1HB   GLU  49          2HB       GLU  49  -1.160 -15.363 -15.363
  321   2HB   GLU  49          1HB       GLU  49  -2.013 -13.999 -13.999
  322   1HG   GLU  49          2HG       GLU  49  -1.231 -16.268 -16.268
  323   2HG   GLU  49          1HG       GLU  49  -2.599 -16.501 -16.501
  324    H    GLU  50           H        GLU  50  -0.130 -11.871 -11.871
  325    HA   GLU  50           HA       GLU  50  -1.411 -10.779 -10.779
  326   1HB   GLU  50          2HB       GLU  50  -0.108  -9.680  -9.680
  327   2HB   GLU  50          1HB       GLU  50  -0.234  -8.603  -8.603
  328   1HG   GLU  50          2HG       GLU  50  -2.678 -10.158 -10.158
  329   2HG   GLU  50          1HG       GLU  50  -2.227  -8.926  -8.926
  330    H    HIS  51           H        HIS  51   1.918 -11.350 -11.350
  331    HA   HIS  51           HA       HIS  51   3.173  -9.776  -9.776
  332   1HB   HIS  51          2HB       HIS  51   4.342 -10.818 -10.818
  333   2HB   HIS  51          1HB       HIS  51   4.208 -12.373 -12.373
  334    HD1  HIS  51          1HD       HIS  51   6.300 -12.927 -12.927
  335    HD2  HIS  51          2HD       HIS  51   5.565  -8.823  -8.823
  336    HE1  HIS  51          1HE       HIS  51   8.190 -11.871 -11.871
  337    H    SER  52           H        SER  52   2.003 -13.115 -13.115
  338    HA   SER  52           HA       SER  52   2.856 -14.036 -14.036
  339   1HB   SER  52          2HB       SER  52   0.763 -14.801 -14.801
  340   2HB   SER  52          1HB       SER  52   0.465 -15.303 -15.303
  341    HG   SER  52           HG       SER  52   2.018 -16.468 -16.468
  342    H    PHE  53           H        PHE  53   0.023 -12.137 -12.137
  343    HA   PHE  53           HA       PHE  53  -1.435 -12.194 -12.194
  344   1HB   PHE  53          2HB       PHE  53  -1.914 -11.056 -11.056
  345   2HB   PHE  53          1HB       PHE  53  -1.232  -9.636  -9.636
  346    HD1  PHE  53          1HD       PHE  53  -3.614 -12.407 -12.407
  347    HD2  PHE  53          2HD       PHE  53  -2.630  -8.258  -8.258
  348    HE1  PHE  53          1HE       PHE  53  -5.770 -11.981 -11.981
  349    HE2  PHE  53          2HE       PHE  53  -4.767  -7.825  -7.825
  350    HZ   PHE  53           HZ       PHE  53  -6.374  -9.682  -9.682
  351    H    ILE  54           H        ILE  54   1.564 -10.595 -10.595
  352    HA   ILE  54           HA       ILE  54   1.403  -8.665  -8.665
  353    HB   ILE  54           HB       ILE  54   3.839  -9.611  -9.611
  354   1HD1  ILE  54          3HD1      ILE  54   4.530  -8.467  -8.467
  355   2HD1  ILE  54          2HD1      ILE  54   4.115  -6.760  -6.760
  356   3HD1  ILE  54          1HD1      ILE  54   3.369  -7.735  -7.735
  357    H    GLN  55           H        GLN  55   3.499 -11.498 -11.498
  358    HA   GLN  55           HA       GLN  55   4.387 -11.521 -11.521
  359   1HB   GLN  55          2HB       GLN  55   4.833 -13.465 -13.465
  360   2HB   GLN  55          1HB       GLN  55   5.590 -13.597 -13.597
  361   1HG   GLN  55          2HG       GLN  55   7.235 -12.375 -12.375
  362   2HG   GLN  55          1HG       GLN  55   6.202 -11.033 -11.033
  363    H    THR  56           H        THR  56   2.360 -13.652 -13.652
  364    HA   THR  56           HA       THR  56   1.834 -15.668 -15.668
  365    HB   THR  56           HB       THR  56  -0.229 -14.528 -14.528
  366    HG1  THR  56          1HG       THR  56   1.774 -16.468 -16.468
  367    H    LEU  57           H        LEU  57   0.653 -12.394 -12.394
  368    HA   LEU  57           HA       LEU  57  -1.333 -12.987 -12.987
  369   1HB   LEU  57          2HB       LEU  57  -0.785 -10.594 -10.594
  370   2HB   LEU  57          1HB       LEU  57  -1.746 -10.430 -10.430
  371    HG   LEU  57           HG       LEU  57  -3.184 -10.825 -10.825
  372   1HD1  LEU  57          2HD1      LEU  57  -3.432 -11.976 -11.976
  373   2HD1  LEU  57          1HD1      LEU  57  -3.383 -13.425 -13.425
  374   3HD1  LEU  57          3HD1      LEU  57  -4.617 -12.198 -12.198
  375   1HD2  LEU  57          2HD2      LEU  57  -1.277 -12.313 -12.313
  376   2HD2  LEU  57          1HD2      LEU  57  -2.967 -12.664 -12.664
  377   3HD2  LEU  57          3HD2      LEU  57  -2.106 -13.621 -13.621
  378    H    ASN  58           H        ASN  58   0.781 -10.158 -10.158
  379    HA   ASN  58           HA       ASN  58   2.687 -10.441 -10.441
  380   1HB   ASN  58          2HB       ASN  58   1.571  -9.170  -9.170
  381   2HB   ASN  58          1HB       ASN  58   1.364 -10.911 -10.911
  382   1HD2  ASN  58          1HD2      ASN  58  -0.436  -8.763  -8.763
  383   2HD2  ASN  58          2HD2      ASN  58  -1.942  -9.022  -9.022
  384    H    ALA  59           H        ALA  59   3.849  -8.890  -8.890
  385    HA   ALA  59           HA       ALA  59   2.998  -6.129  -6.129
  386   1HB   ALA  59          3HB       ALA  59   2.286  -7.230  -7.230
  387   2HB   ALA  59          2HB       ALA  59   3.909  -6.667  -6.667
  388   3HB   ALA  59          1HB       ALA  59   2.700  -5.527  -5.527
  389    H    GLY  60           H        GLY  60   4.689  -4.587  -4.587
  390   1HA   GLY  60          2HA       GLY  60   7.282  -5.521  -5.521
  391   2HA   GLY  60          1HA       GLY  60   6.848  -3.859  -3.859
  392    H    VAL  61           H        VAL  61   7.778  -3.034  -3.034
  393    HA   VAL  61           HA       VAL  61   9.016  -4.913  -4.913
  394    HB   VAL  61           HB       VAL  61  10.033  -2.680  -2.680
  395    H    VAL  62           H        VAL  62   8.943  -3.844  -3.844
  396    HA   VAL  62           HA       VAL  62   6.130  -3.266  -3.266
  397    HB   VAL  62           HB       VAL  62   7.941  -5.094  -5.094
  398    H    TRP  63           H        TRP  63   7.042  -1.071  -1.071
  399    HA   TRP  63           HA       TRP  63   9.130  -0.153  -0.153
  400   1HB   TRP  63          2HB       TRP  63   6.656   1.176   1.176
  401   2HB   TRP  63          1HB       TRP  63   7.761   2.049   2.049
  402    HD1  TRP  63           HD       TRP  63   7.133   1.734   1.734
  403    HE1  TRP  63          1HE       TRP  63   9.229   2.131   2.131
  404    HE3  TRP  63          3HE       TRP  63  10.788   1.203   1.203
  405    HZ2  TRP  63          2HZ       TRP  63  12.087   2.219   2.219
  406    HZ3  TRP  63          3HZ       TRP  63  13.159   1.477   1.477
  407    HH2  TRP  63           HH       TRP  63  13.816   1.970   1.970
  408    H    ILE  64           H        ILE  64   9.273   0.534   0.534
  409    HA   ILE  64           HA       ILE  64   6.921   0.703   0.703
  410    HB   ILE  64           HB       ILE  64   7.348  -1.728  -1.728
  411   1HD1  ILE  64          2HD1      ILE  64   5.490  -1.000  -1.000
  412   2HD1  ILE  64          1HD1      ILE  64   5.864  -2.490  -2.490
  413   3HD1  ILE  64          3HD1      ILE  64   5.511  -1.013  -1.013
  414    H    GLY  65           H        GLY  65  10.473   0.540   0.540
  415   1HA   GLY  65          2HA       GLY  65  11.109   1.748   1.748
  416   2HA   GLY  65          1HA       GLY  65  12.087   1.876   1.876
  417    H    GLY  66           H        GLY  66  11.390   3.807   3.807
  418   1HA   GLY  66          2HA       GLY  66   9.666   5.824   5.824
  419   2HA   GLY  66          1HA       GLY  66  10.930   6.050   6.050
  420    H    SER  67           H        SER  67  12.370   7.560   7.560
  421    HA   SER  67           HA       SER  67  13.625   7.431   7.431
  422   1HB   SER  67          2HB       SER  67  11.510   8.799   8.799
  423   2HB   SER  67          1HB       SER  67  12.221  10.011  10.011
  424    HG   SER  67           HG       SER  67  12.887  10.578  10.578
  425    H    ALA  68           H        ALA  68  15.699   7.638   7.638
  426    HA   ALA  68           HA       ALA  68  16.651   9.894   9.894
  427   1HB   ALA  68          3HB       ALA  68  17.097   7.042   7.042
  428   2HB   ALA  68          2HB       ALA  68  17.934   8.460   8.460
  429   3HB   ALA  68          1HB       ALA  68  16.191   8.300   8.300
  430    H    CYS  69           H        CYS  69  18.473  10.616  10.616
  431    HA   CYS  69           HA       CYS  69  20.557   8.890   8.890
  432   1HB   CYS  69          2HB       CYS  69  18.648  10.113  10.113
  433   2HB   CYS  69          1HB       CYS  69  20.356  10.276  10.276
  434    H    LEU  70           H        LEU  70  20.218  10.973  10.973
  435    HA   LEU  70           HA       LEU  70  22.164  12.935  12.935
  436   1HB   LEU  70          2HB       LEU  70  19.532  13.414  13.414
  437   2HB   LEU  70          1HB       LEU  70  20.803  14.250  14.250
  438    HG   LEU  70           HG       LEU  70  19.914  15.661  15.661
  439   1HD1  LEU  70          3HD1      LEU  70  22.719  14.791  14.791
  440   2HD1  LEU  70          2HD1      LEU  70  22.322  15.559  15.559
  441   3HD1  LEU  70          1HD1      LEU  70  22.042  16.418  16.418
  442   1HD2  LEU  70          2HD2      LEU  70  19.513  13.457  13.457
  443   2HD2  LEU  70          1HD2      LEU  70  19.810  15.003  15.003
  444   3HD2  LEU  70          3HD2      LEU  70  21.121  13.836  13.836
  445    H    GLN  71           H        GLN  71  20.805  11.370  11.370
  446    HA   GLN  71           HA       GLN  71  23.487  11.503  11.503
  447   1HB   GLN  71          2HB       GLN  71  20.813  12.067  12.067
  448   2HB   GLN  71          1HB       GLN  71  22.266  11.692  11.692
  449   1HG   GLN  71          2HG       GLN  71  23.415  13.618  13.618
  450   2HG   GLN  71          1HG       GLN  71  22.152  13.914  13.914
  451    H    ALA  72           H        ALA  72  23.315   9.993   9.993
  452    HA   ALA  72           HA       ALA  72  22.259   7.409   7.409
  453   1HB   ALA  72          3HB       ALA  72  24.777   7.657   7.657
  454   2HB   ALA  72          2HB       ALA  72  24.492   7.770   7.770
  455   3HB   ALA  72          1HB       ALA  72  24.045   6.305   6.305
  456    H    GLY  73           H        GLY  73  20.501   6.775   6.775
  457   1HA   GLY  73          2HA       GLY  73  19.180   6.095   6.095
  458   2HA   GLY  73          1HA       GLY  73  20.422   6.685   6.685
  459    H    ALA  74           H        ALA  74  18.326   8.171   8.171
  460    HA   ALA  74           HA       ALA  74  17.065   9.847   9.847
  461   1HB   ALA  74          2HB       ALA  74  19.065  10.867  10.867
  462   2HB   ALA  74          1HB       ALA  74  17.623  11.846  11.846
  463   3HB   ALA  74          3HB       ALA  74  18.680  11.443  11.443
  464    H    TRP  75           H        TRP  75  15.530   8.167   8.167
  465    HA   TRP  75           HA       TRP  75  13.707   9.550   9.550
  466   1HB   TRP  75          2HB       TRP  75  13.843   8.250   8.250
  467   2HB   TRP  75          1HB       TRP  75  15.367   9.046   9.046
  468    HD1  TRP  75           HD       TRP  75  16.399   6.827   6.827
  469    HE1  TRP  75          1HE       TRP  75  17.325   4.626   4.626
  470    HE3  TRP  75          3HE       TRP  75  14.185   6.874   6.874
  471    HZ2  TRP  75          2HZ       TRP  75  17.157   3.097   3.097
  472    HZ3  TRP  75          3HZ       TRP  75  14.584   5.059   5.059
  473    HH2  TRP  75           HH       TRP  75  16.069   3.175   3.175
  474    H    THR  76           H        THR  76  12.333   7.417   7.417
  475    HA   THR  76           HA       THR  76  11.832   5.544   5.544
  476    HB   THR  76           HB       THR  76   9.270   6.174   6.174
  477    HG1  THR  76          1HG       THR  76   9.052   8.270   8.270
  478    H    TRP  77           H        TRP  77   9.705   4.267   4.267
  479    HA   TRP  77           HA       TRP  77  10.305   2.960   2.960
  480   1HB   TRP  77          2HB       TRP  77   9.971   1.874   1.874
  481   2HB   TRP  77          1HB       TRP  77   8.268   2.000   2.000
  482    HD1  TRP  77           HD       TRP  77   7.524  -0.304  -0.304
  483    HE1  TRP  77          1HE       TRP  77   8.382  -2.131  -2.131
  484    HE3  TRP  77          3HE       TRP  77  11.967   1.779   1.779
  485    HZ2  TRP  77          2HZ       TRP  77  10.635  -2.644  -2.644
  486    HZ3  TRP  77          3HZ       TRP  77  13.440   0.593   0.593
  487    HH2  TRP  77           HH       TRP  77  12.784  -1.616  -1.616
  488    H    SER  78           H        SER  78   7.872   1.877   1.877
  489    HA   SER  78           HA       SER  78   6.536   3.878   3.878
  490   1HB   SER  78          2HB       SER  78   6.015   1.060   1.060
  491   2HB   SER  78          1HB       SER  78   4.557   2.008   2.008
  492    HG   SER  78           HG       SER  78   5.401   1.164   1.164
  493    H    ASP  79           H        ASP  79   6.226   2.918   2.918
  494    HA   ASP  79           HA       ASP  79   4.126   4.957   4.957
  495   1HB   ASP  79          2HB       ASP  79   3.532   2.338   2.338
  496   2HB   ASP  79          1HB       ASP  79   4.093   2.640   2.640
  497    H    GLY  80           H        GLY  80   7.067   3.472   3.472
  498   1HA   GLY  80          2HA       GLY  80   8.573   4.880   4.880
  499   2HA   GLY  80          1HA       GLY  80   7.168   5.506   5.506
  500    H    THR  81           H        THR  81   6.017   4.049   4.049
  501    HA   THR  81           HA       THR  81   7.708   2.723   2.723
  502    HB   THR  81           HB       THR  81   4.910   1.815   1.815
  503    HG1  THR  81          1HG       THR  81   4.093   3.670   3.670
  504    HA   PRO  82           HA       PRO  82   6.243  -1.463  -1.463
  505   1HB   PRO  82          2HB       PRO  82   4.778  -1.532  -1.532
  506   2HB   PRO  82          1HB       PRO  82   4.067  -1.406  -1.406
  507   1HG   PRO  82          2HG       PRO  82   4.355   0.668   0.668
  508   2HG   PRO  82          1HG       PRO  82   3.154   0.529   0.529
  509   1HD   PRO  82          2HD       PRO  82   5.410   2.240   2.240
  510   2HD   PRO  82          1HD       PRO  82   4.375   1.866   1.866
  511    H    MET  83           H        MET  83   8.007  -2.442  -2.442
  512    HA   MET  83           HA       MET  83   8.816  -2.024  -2.024
  513   1HB   MET  83          2HB       MET  83  10.922  -1.744  -1.744
  514   2HB   MET  83          1HB       MET  83  11.051  -1.374  -1.374
  515   1HG   MET  83          2HG       MET  83   9.339   0.445   0.445
  516   2HG   MET  83          1HG       MET  83   9.442   0.141   0.141
  517   1HE   MET  83          2HE       MET  83  11.015   0.517   0.517
  518   2HE   MET  83          1HE       MET  83  12.451   1.530   1.530
  519   3HE   MET  83          3HE       MET  83  10.841   2.254   2.254
  520    H    ASN  84           H        ASN  84   7.955  -4.238  -4.238
  521    HA   ASN  84           HA       ASN  84   9.980  -6.144  -6.144
  522   1HB   ASN  84          2HB       ASN  84   7.867  -7.778  -7.778
  523   2HB   ASN  84          1HB       ASN  84   8.237  -6.859  -6.859
  524   1HD2  ASN  84          1HD2      ASN  84   7.159  -4.519  -4.519
  525   2HD2  ASN  84          2HD2      ASN  84   5.556  -4.474  -4.474
  526    H    PHE  85           H        PHE  85   7.196  -6.844  -6.844
  527    HA   PHE  85           HA       PHE  85   7.092  -7.830  -7.830
  528   1HB   PHE  85          2HB       PHE  85   8.777  -5.492  -5.492
  529   2HB   PHE  85          1HB       PHE  85   9.326  -6.725  -6.725
  530    HD1  PHE  85          1HD       PHE  85   6.409  -4.692  -4.692
  531    HD2  PHE  85          2HD       PHE  85   8.001  -7.361  -7.361
  532    HE1  PHE  85          1HE       PHE  85   4.500  -4.169  -4.169
  533    HE2  PHE  85          2HE       PHE  85   6.094  -6.837  -6.837
  534    HZ   PHE  85           HZ       PHE  85   4.344  -5.241  -5.241
  535    H    ARG  86           H        ARG  86   8.931  -8.623  -8.623
  536    HA   ARG  86           HA       ARG  86  10.094 -10.936 -10.936
  537   1HB   ARG  86          2HB       ARG  86   9.798 -10.032 -10.032
  538   2HB   ARG  86          1HB       ARG  86  10.897 -11.351 -11.351
  539   1HG   ARG  86          2HG       ARG  86   8.031 -11.317 -11.317
  540   2HG   ARG  86          1HG       ARG  86   8.486 -12.006 -12.006
  541   1HD   ARG  86          2HD       ARG  86  10.101 -13.494 -13.494
  542   2HD   ARG  86          1HD       ARG  86   9.577 -12.838 -12.838
  543    HE   ARG  86           HE       ARG  86   7.970 -14.558 -14.558
  544   1HH1  ARG  86          1HH1      ARG  86   7.300 -12.249 -12.249
  545   2HH1  ARG  86          2HH1      ARG  86   6.508 -13.303 -13.303
  546   1HH2  ARG  86          1HH2      ARG  86   7.426 -16.201 -16.201
  547   2HH2  ARG  86          2HH2      ARG  86   6.580 -15.541 -15.541
  548    H    SER  87           H        SER  87  12.114 -11.115 -11.115
  549    HA   SER  87           HA       SER  87  14.083  -9.091  -9.091
  550   1HB   SER  87          2HB       SER  87  15.259 -10.086 -10.086
  551   2HB   SER  87          1HB       SER  87  14.071  -8.790  -8.790
  552    HG   SER  87           HG       SER  87  13.313 -10.276 -10.276
  553    H    TRP  88           H        TRP  88  14.176 -10.636 -10.636
  554    HA   TRP  88           HA       TRP  88  15.294 -13.214 -13.214
  555   1HB   TRP  88          2HB       TRP  88  15.358 -11.178 -11.178
  556   2HB   TRP  88          1HB       TRP  88  16.034 -12.799 -12.799
  557    HD1  TRP  88           HD       TRP  88  12.857 -10.929 -10.929
  558    HE1  TRP  88          1HE       TRP  88  10.876 -12.552 -12.552
  559    HE3  TRP  88          3HE       TRP  88  15.153 -15.341 -15.341
  560    HZ2  TRP  88          2HZ       TRP  88  10.336 -15.353 -15.353
  561    HZ3  TRP  88          3HZ       TRP  88  13.884 -17.469 -17.469
  562    HH2  TRP  88           HH       TRP  88  11.481 -17.481 -17.481
  563    H    CYS  89           H        CYS  89  16.802 -10.030 -10.030
  564    HA   CYS  89           HA       CYS  89  19.275 -11.063 -11.063
  565   1HB   CYS  89          2HB       CYS  89  20.652 -10.114 -10.114
  566   2HB   CYS  89          1HB       CYS  89  19.686 -11.507 -11.507
  567    H    SER  90           H        SER  90  20.903  -9.233  -9.233
  568    HA   SER  90           HA       SER  90  20.054  -6.526  -6.526
  569   1HB   SER  90          2HB       SER  90  19.581  -8.002  -8.002
  570   2HB   SER  90          1HB       SER  90  20.077  -6.313  -6.313
  571    HG   SER  90           HG       SER  90  17.708  -6.933  -6.933
  572    H    THR  91           H        THR  91  22.358  -8.089  -8.089
  573    HA   THR  91           HA       THR  91  24.363  -6.992  -6.992
  574    HB   THR  91           HB       THR  91  24.972  -9.115  -9.115
  575    HG1  THR  91          1HG       THR  91  24.516 -10.597 -10.597
  576    H    LYS  92           H        LYS  92  24.264  -4.920  -4.920
  577    HA   LYS  92           HA       LYS  92  26.045  -4.735  -4.735
  578   1HB   LYS  92          2HB       LYS  92  23.140  -4.074  -4.074
  579   2HB   LYS  92          1HB       LYS  92  24.267  -2.990  -2.990
  580   1HG   LYS  92          2HG       LYS  92  25.240  -4.928  -4.928
  581   2HG   LYS  92          1HG       LYS  92  24.067  -5.987  -5.987
  582   1HD   LYS  92          2HD       LYS  92  22.240  -4.996  -4.996
  583   2HD   LYS  92          1HD       LYS  92  23.185  -3.579  -3.579
  584   1HE   LYS  92          2HE       LYS  92  24.544  -4.931  -4.931
  585   2HE   LYS  92          1HE       LYS  92  23.705  -6.395  -6.395
  586   1HZ   LYS  92          2HZ       LYS  92  22.351  -4.065  -4.065
  587   2HZ   LYS  92          1HZ       LYS  92  22.875  -5.424  -5.424
  588   3HZ   LYS  92          3HZ       LYS  92  21.681  -5.593  -5.593
  589    HA   PRO  93           HA       PRO  93  26.603  -1.310  -1.310
  590   1HB   PRO  93          2HB       PRO  93  29.328  -1.477  -1.477
  591   2HB   PRO  93          1HB       PRO  93  28.239  -2.451  -2.451
  592   1HG   PRO  93          2HG       PRO  93  29.877  -3.260  -3.260
  593   2HG   PRO  93          1HG       PRO  93  29.271  -4.235  -4.235
  594   1HD   PRO  93          2HD       PRO  93  28.190  -4.109  -4.109
  595   2HD   PRO  93          1HD       PRO  93  27.464  -4.910  -4.910
  596    H    ASP  94           H        ASP  94  28.148  -1.978  -1.978
  597    HA   ASP  94           HA       ASP  94  28.998   0.806   0.806
  598   1HB   ASP  94          2HB       ASP  94  30.298  -1.365  -1.365
  599   2HB   ASP  94          1HB       ASP  94  29.252  -1.248  -1.248
  600    H    ASP  95           H        ASP  95  26.329   0.767   0.767
  601    HA   ASP  95           HA       ASP  95  25.455   1.654   1.654
  602   1HB   ASP  95          2HB       ASP  95  24.249  -0.720  -0.720
  603   2HB   ASP  95          1HB       ASP  95  23.278   0.288   0.288
  604    H    VAL  96           H        VAL  96  25.354   3.689   3.689
  605    HA   VAL  96           HA       VAL  96  23.130   3.999   3.999
  606    HB   VAL  96           HB       VAL  96  25.572   5.778   5.778
  607    H    LEU  97           H        LEU  97  25.098   6.096   6.096
  608    HA   LEU  97           HA       LEU  97  22.812   7.725   7.725
  609   1HB   LEU  97          2HB       LEU  97  24.413   8.865   8.865
  610   2HB   LEU  97          1HB       LEU  97  24.950   8.827   8.827
  611    HG   LEU  97           HG       LEU  97  25.800   6.480   6.480
  612   1HD1  LEU  97          1HD1      LEU  97  26.840   9.246   9.246
  613   2HD1  LEU  97          3HD1      LEU  97  27.587   7.733   7.733
  614   3HD1  LEU  97          2HD1      LEU  97  25.976   8.161   8.161
  615   1HD2  LEU  97          2HD2      LEU  97  26.503   7.533   7.533
  616   2HD2  LEU  97          1HD2      LEU  97  27.637   6.604   6.604
  617   3HD2  LEU  97          3HD2      LEU  97  27.677   8.367   8.367
  618    H    ALA  98           H        ALA  98  24.473   5.005   5.005
  619    HA   ALA  98           HA       ALA  98  23.586   5.272   5.272
  620   1HB   ALA  98          3HB       ALA  98  24.276   2.799   2.799
  621   2HB   ALA  98          2HB       ALA  98  24.006   2.818   2.818
  622   3HB   ALA  98          1HB       ALA  98  25.356   3.715   3.715
  623    H    ALA  99           H        ALA  99  21.871   4.452   4.452
  624    HA   ALA  99           HA       ALA  99  19.509   3.792   3.792
  625   1HB   ALA  99          2HB       ALA  99  20.724   2.150   2.150
  626   2HB   ALA  99          1HB       ALA  99  18.969   2.176   2.176
  627   3HB   ALA  99          3HB       ALA  99  19.983   1.627   1.627
  628    H    CYS 100           H        CYS 100  17.649   4.690   4.690
  629    HA   CYS 100           HA       CYS 100  17.774   6.195   6.195
  630   1HB   CYS 100          2HB       CYS 100  16.119   6.951   6.951
  631   2HB   CYS 100          1HB       CYS 100  16.390   7.908   7.908
  632    H    CYS 101           H        CYS 101  16.014   3.874   3.874
  633    HA   CYS 101           HA       CYS 101  13.967   3.809   3.809
  634   1HB   CYS 101          2HB       CYS 101  13.513   3.717   3.717
  635   2HB   CYS 101          1HB       CYS 101  12.313   3.162   3.162
  636    H    MET 102           H        MET 102  13.955   1.894   1.894
  637    HA   MET 102           HA       MET 102  15.288  -0.380  -0.380
  638   1HB   MET 102          2HB       MET 102  13.789  -0.160  -0.160
  639   2HB   MET 102          1HB       MET 102  14.804  -1.514  -1.514
  640   1HG   MET 102          2HG       MET 102  16.618   0.379   0.379
  641   2HG   MET 102          1HG       MET 102  15.602   1.264   1.264
  642   1HE   MET 102          3HE       MET 102  17.893   1.352   1.352
  643   2HE   MET 102          2HE       MET 102  18.620   0.038   0.038
  644   3HE   MET 102          1HE       MET 102  18.783   0.071   0.071
  645    H    GLN 103           H        GLN 103  14.265  -1.636  -1.636
  646    HA   GLN 103           HA       GLN 103  11.442  -2.327  -2.327
  647   1HB   GLN 103          2HB       GLN 103  11.035  -2.245  -2.245
  648   2HB   GLN 103          1HB       GLN 103  11.336  -0.689  -0.689
  649   1HG   GLN 103          2HG       GLN 103  13.538  -0.566  -0.566
  650   2HG   GLN 103          1HG       GLN 103  13.567  -2.286  -2.286
  651    H    MET 104           H        MET 104  10.847  -4.070  -4.070
  652    HA   MET 104           HA       MET 104  12.998  -6.096  -6.096
  653   1HB   MET 104          2HB       MET 104  10.708  -6.418  -6.418
  654   2HB   MET 104          1HB       MET 104  10.142  -6.913  -6.913
  655   1HG   MET 104          2HG       MET 104  12.297  -8.376  -8.376
  656   2HG   MET 104          1HG       MET 104  12.305  -8.142  -8.142
  657   1HE   MET 104          2HE       MET 104  12.181 -10.343 -10.343
  658   2HE   MET 104          1HE       MET 104  11.302 -11.614 -11.614
  659   3HE   MET 104          3HE       MET 104  10.596 -10.844 -10.844
  660    H    THR 105           H        THR 105  13.795  -5.429  -5.429
  661    HA   THR 105           HA       THR 105  12.755  -4.681  -4.681
  662    HB   THR 105           HB       THR 105  14.563  -6.949  -6.949
  663    HG1  THR 105          1HG       THR 105  16.275  -5.771  -5.771
  664    H    ALA 106           H        ALA 106  12.407  -7.946  -7.946
  665    HA   ALA 106           HA       ALA 106  10.857  -9.566  -9.566
  666   1HB   ALA 106          2HB       ALA 106   9.678  -7.248  -7.248
  667   2HB   ALA 106          1HB       ALA 106   9.577  -8.510  -8.510
  668   3HB   ALA 106          3HB       ALA 106   8.895  -8.783  -8.783
  669    H    ALA 107           H        ALA 107  13.543  -9.509  -9.509
  670    HA   ALA 107           HA       ALA 107  13.156 -10.580 -10.580
  671   1HB   ALA 107          1HB       ALA 107  15.054  -9.018  -9.018
  672   2HB   ALA 107          3HB       ALA 107  15.734 -10.325 -10.325
  673   3HB   ALA 107          2HB       ALA 107  15.538 -10.529 -10.529
  674    H    ALA 108           H        ALA 108  13.454 -11.673 -11.673
  675    HA   ALA 108           HA       ALA 108  13.125 -13.841 -13.841
  676   1HB   ALA 108          3HB       ALA 108  12.798 -14.514 -14.514
  677   2HB   ALA 108          2HB       ALA 108  14.393 -15.215 -15.215
  678   3HB   ALA 108          1HB       ALA 108  13.027 -15.714 -15.714
  679    H    ASP 109           H        ASP 109  15.933 -12.765 -12.765
  680    HA   ASP 109           HA       ASP 109  17.641 -13.892 -13.892
  681   1HB   ASP 109          2HB       ASP 109  17.857 -14.626 -14.626
  682   2HB   ASP 109          1HB       ASP 109  18.830 -13.155 -13.155
  683    H    GLN 110           H        GLN 110  16.150 -11.146 -11.146
  684    HA   GLN 110           HA       GLN 110  18.304  -9.325  -9.325
  685   1HB   GLN 110          2HB       GLN 110  15.414  -9.149  -9.149
  686   2HB   GLN 110          1HB       GLN 110  16.104  -7.806  -7.806
  687   1HG   GLN 110          2HG       GLN 110  17.228  -8.740  -8.740
  688   2HG   GLN 110          1HG       GLN 110  16.006  -7.477  -7.477
  689    H    CYS 111           H        CYS 111  16.074 -10.633 -10.633
  690    HA   CYS 111           HA       CYS 111  16.233 -10.784 -10.784
  691   1HB   CYS 111          2HB       CYS 111  18.839 -10.230 -10.230
  692   2HB   CYS 111          1HB       CYS 111  18.410  -8.810  -8.810
  693    H    TRP 112           H        TRP 112  16.139  -9.276  -9.276
  694    HA   TRP 112           HA       TRP 112  14.465  -6.961  -6.961
  695   1HB   TRP 112          2HB       TRP 112  13.341  -8.656  -8.656
  696   2HB   TRP 112          1HB       TRP 112  14.642  -8.634  -8.634
  697    HD1  TRP 112           HD       TRP 112  11.984  -6.223  -6.223
  698    HE1  TRP 112          1HE       TRP 112  11.291  -4.584  -4.584
  699    HE3  TRP 112          3HE       TRP 112  15.166  -7.711  -7.711
  700    HZ2  TRP 112          2HZ       TRP 112  11.998  -3.985  -3.985
  701    HZ3  TRP 112          3HZ       TRP 112  15.137  -6.592  -6.592
  702    HH2  TRP 112           HH       TRP 112  13.559  -4.731  -4.731
  703    H    ASP 113           H        ASP 113  14.567  -5.085  -5.085
  704    HA   ASP 113           HA       ASP 113  15.612  -3.507  -3.507
  705   1HB   ASP 113          2HB       ASP 113  16.759  -5.488  -5.488
  706   2HB   ASP 113          1HB       ASP 113  18.126  -5.163  -5.163
  707    H    ASP 114           H        ASP 114  16.775  -1.721  -1.721
  708    HA   ASP 114           HA       ASP 114  17.890  -0.205  -0.205
  709   1HB   ASP 114          2HB       ASP 114  19.478  -2.710  -2.710
  710   2HB   ASP 114          1HB       ASP 114  19.813  -1.346  -1.346
  711    H    LEU 115           H        LEU 115  18.323   0.446   0.446
  712    HA   LEU 115           HA       LEU 115  18.042  -0.363  -0.363
  713   1HB   LEU 115          2HB       LEU 115  15.411  -0.999  -0.999
  714   2HB   LEU 115          1HB       LEU 115  15.318  -0.128  -0.128
  715    HG   LEU 115           HG       LEU 115  15.322  -2.686  -2.686
  716   1HD1  LEU 115          2HD1      LEU 115  15.858  -1.092  -1.092
  717   2HD1  LEU 115          1HD1      LEU 115  17.565  -1.301  -1.301
  718   3HD1  LEU 115          3HD1      LEU 115  16.611  -2.678  -2.678
  719   1HD2  LEU 115          3HD2      LEU 115  18.105  -2.274  -2.274
  720   2HD2  LEU 115          2HD2      LEU 115  16.969  -3.582  -3.582
  721   3HD2  LEU 115          1HD2      LEU 115  17.836  -3.512  -3.512
  722    HA   PRO 116           HA       PRO 116  17.491   4.019   4.019
  723   1HB   PRO 116          2HB       PRO 116  17.467   4.342   4.342
  724   2HB   PRO 116          1HB       PRO 116  18.927   3.996   3.996
  725   1HG   PRO 116          2HG       PRO 116  17.402   2.230   2.230
  726   2HG   PRO 116          1HG       PRO 116  19.092   2.129   2.129
  727   1HD   PRO 116          2HD       PRO 116  16.894   0.604   0.604
  728   2HD   PRO 116          1HD       PRO 116  18.560   0.597   0.597
  729    H    CYS 117           H        CYS 117  15.654   4.989   4.989
  730    HA   CYS 117           HA       CYS 117  13.077   4.271   4.271
  731   1HB   CYS 117          2HB       CYS 117  14.310   6.461   6.461
  732   2HB   CYS 117          1HB       CYS 117  13.377   7.188   7.188
  733    HA   PRO 118           HA       PRO 118  12.580   6.752   6.752
  734   1HB   PRO 118          2HB       PRO 118  14.792   7.797   7.797
  735   2HB   PRO 118          1HB       PRO 118  13.827   8.659   8.659
  736   1HG   PRO 118          2HG       PRO 118  16.498   7.406   7.406
  737   2HG   PRO 118          1HG       PRO 118  15.794   8.767   8.767
  738   1HD   PRO 118          2HD       PRO 118  16.027   6.110   6.110
  739   2HD   PRO 118          1HD       PRO 118  15.055   7.402   7.402
  740    H    ALA 119           H        ALA 119  12.338   4.385   4.385
  741    HA   ALA 119           HA       ALA 119  13.999   3.698   3.698
  742   1HB   ALA 119          2HB       ALA 119  14.953   2.558   2.558
  743   2HB   ALA 119          1HB       ALA 119  13.443   1.651   1.651
  744   3HB   ALA 119          3HB       ALA 119  14.488   1.482   1.482
  745    H    SER 120           H        SER 120  11.082   4.398   4.398
  746    HA   SER 120           HA       SER 120   8.911   3.626   3.626
  747   1HB   SER 120          2HB       SER 120  10.351   4.331   4.331
  748   2HB   SER 120          1HB       SER 120   9.165   3.096   3.096
  749    HG   SER 120           HG       SER 120   8.824   5.698   5.698
  750    H    HIS 121           H        HIS 121   8.470   1.705   1.705
  751    HA   HIS 121           HA       HIS 121   8.397  -0.589  -0.589
  752   1HB   HIS 121          2HB       HIS 121   9.681  -0.654  -0.654
  753   2HB   HIS 121          1HB       HIS 121   9.243  -2.078  -2.078
  754    HD1  HIS 121          1HD       HIS 121  10.192  -1.614  -1.614
  755    HD2  HIS 121          2HD       HIS 121  12.377  -0.213  -0.213
  756    HE1  HIS 121          1HE       HIS 121  12.568  -1.288  -1.288
  757    H    LYS 122           H        LYS 122   6.194  -0.186  -0.186
  758    HA   LYS 122           HA       LYS 122   3.997  -0.227  -0.227
  759   1HB   LYS 122          2HB       LYS 122   5.350  -2.684  -2.684
  760   2HB   LYS 122          1HB       LYS 122   4.021  -2.352  -2.352
  761   1HG   LYS 122          2HG       LYS 122   2.831  -3.417  -3.417
  762   2HG   LYS 122          1HG       LYS 122   2.770  -1.777  -1.777
  763   1HD   LYS 122          2HD       LYS 122   4.891  -3.820  -3.820
  764   2HD   LYS 122          1HD       LYS 122   3.468  -3.468  -3.468
  765   1HE   LYS 122          2HE       LYS 122   4.418  -0.955  -0.955
  766   2HE   LYS 122          1HE       LYS 122   5.927  -1.865  -1.865
  767   1HZ   LYS 122          2HZ       LYS 122   3.926  -2.377  -2.377
  768   2HZ   LYS 122          1HZ       LYS 122   4.990  -1.061  -1.061
  769   3HZ   LYS 122          3HZ       LYS 122   5.604  -2.637  -2.637
  770    H    SER 123           H        SER 123   2.728  -0.920  -0.920
  771    HA   SER 123           HA       SER 123   3.937   0.428   0.428
  772   1HB   SER 123          2HB       SER 123   1.806   1.719   1.719
  773   2HB   SER 123          1HB       SER 123   1.775   1.939   1.939
  774    HG   SER 123           HG       SER 123   3.040   3.505   3.505
  775    H    VAL 124           H        VAL 124   2.968  -0.097  -0.097
  776    HA   VAL 124           HA       VAL 124   0.533  -1.768  -1.768
  777    HB   VAL 124           HB       VAL 124   2.976  -2.296  -2.296
  778    H    CYS 125           H        CYS 125  -0.974  -0.536  -0.536
  779    HA   CYS 125           HA       CYS 125  -0.263   0.772   0.772
  780   1HB   CYS 125          2HB       CYS 125  -1.875   1.723   1.723
  781   2HB   CYS 125          1HB       CYS 125  -2.410   2.187   2.187
  782    H    ALA 126           H        ALA 126  -1.596   0.459   0.459
  783    HA   ALA 126           HA       ALA 126  -4.030  -1.167  -1.167
  784   1HB   ALA 126          2HB       ALA 126  -1.788  -1.652  -1.652
  785   2HB   ALA 126          1HB       ALA 126  -3.412  -2.286  -2.286
  786   3HB   ALA 126          3HB       ALA 126  -2.497  -2.780  -2.780
  787    H    MET 127           H        MET 127  -5.464  -1.147  -1.147
  788    HA   MET 127           HA       MET 127  -5.215   1.256   1.256
  789   1HB   MET 127          2HB       MET 127  -7.393   0.714   0.714
  790   2HB   MET 127          1HB       MET 127  -7.751   1.612   1.612
  791   1HG   MET 127          2HG       MET 127  -5.303   2.533   2.533
  792   2HG   MET 127          1HG       MET 127  -6.741   2.697   2.697
  793   1HE   MET 127          3HE       MET 127  -4.973   3.219   3.219
  794   2HE   MET 127          2HE       MET 127  -5.638   4.651   4.651
  795   3HE   MET 127          1HE       MET 127  -6.453   3.100   3.100
  796    H    THR 128           H        THR 128  -6.577   1.205   1.205
  797    HA   THR 128           HA       THR 128  -8.081  -1.249  -1.249
  798    HB   THR 128           HB       THR 128  -5.883  -1.918  -1.918
  799    HG1  THR 128          1HG       THR 128  -6.792  -2.664  -2.664
  800    H    PHE 129           H        PHE 129  -9.308  -1.118  -1.118
  801    HA   PHE 129           HA       PHE 129  -9.557   1.505   1.505
  802   1HB   PHE 129          2HB       PHE 129 -12.015   1.605   1.605
  803   2HB   PHE 129          1HB       PHE 129 -11.025   1.815   1.815
  804    HD1  PHE 129          2HD       PHE 129 -13.197  -0.529  -0.529
  805    HD2  PHE 129          1HD       PHE 129 -10.975   0.146   0.146
  806    HE1  PHE 129          2HE       PHE 129 -14.320  -2.473  -2.473
  807    HE2  PHE 129          1HE       PHE 129 -12.099  -1.798  -1.798
  808    HZ   PHE 129           HZ       PHE 129 -13.771  -3.108  -3.108

  Start of MODEL    5
    1   1H    GLN   1          2HT       GLN   1 -11.337   9.049   9.049
    2   2H    GLN   1          1HT       GLN   1 -12.663   8.909   8.909
    3   3H    GLN   1          3HT       GLN   1 -12.232  10.428  10.428
    4    HA   GLN   1           HA       GLN   1 -11.354  10.535  10.535
    5   1HB   GLN   1          2HB       GLN   1 -10.139   8.579   8.579
    6   2HB   GLN   1          1HB       GLN   1 -11.839   8.246   8.246
    7   1HG   GLN   1          2HG       GLN   1 -11.360   6.785   6.785
    8   2HG   GLN   1          1HG       GLN   1  -9.902   7.656   7.656
    9    H    ARG   2           H        ARG   2 -10.374  11.114  11.114
   10    HA   ARG   2           HA       ARG   2  -8.461  11.867  11.867
   11   1HB   ARG   2          2HB       ARG   2  -8.133  12.867  12.867
   12   2HB   ARG   2          1HB       ARG   2  -7.070  11.501  11.501
   13   1HG   ARG   2          2HG       ARG   2  -5.456  12.210  12.210
   14   2HG   ARG   2          1HG       ARG   2  -6.625  13.046  13.046
   15   1HD   ARG   2          2HD       ARG   2  -6.704  14.920  14.920
   16   2HD   ARG   2          1HD       ARG   2  -6.130  14.026  14.026
   17    HE   ARG   2           HE       ARG   2  -4.423  14.893  14.893
   18   1HH1  ARG   2          1HH2      ARG   2  -3.354  12.607  12.607
   19   2HH1  ARG   2          2HH2      ARG   2  -2.403  13.436  13.436
   20   1HH2  ARG   2          1HH1      ARG   2  -3.851  16.526  16.526
   21   2HH2  ARG   2          2HH1      ARG   2  -2.684  15.655  15.655
   22    H    ALA   3           H        ALA   3  -8.252  10.050  10.050
   23    HA   ALA   3           HA       ALA   3  -5.807   8.605   8.605
   24   1HB   ALA   3          3HB       ALA   3  -7.178   7.285   7.285
   25   2HB   ALA   3          2HB       ALA   3  -8.362   7.006   7.006
   26   3HB   ALA   3          1HB       ALA   3  -6.735   6.340   6.340
   27    H    GLY   4           H        GLY   4  -9.001   7.899   7.899
   28   1HA   GLY   4          2HA       GLY   4  -8.219   8.649   8.649
   29   2HA   GLY   4          1HA       GLY   4  -8.169   6.901   6.901
   30    HA   PRO   5           HA       PRO   5 -12.551   8.024   8.024
   31   1HB   PRO   5          2HB       PRO   5 -12.840   6.388   6.388
   32   2HB   PRO   5          1HB       PRO   5 -12.224   8.045   8.045
   33   1HG   PRO   5          2HG       PRO   5 -10.767   5.485   5.485
   34   2HG   PRO   5          1HG       PRO   5 -10.362   7.081   7.081
   35   1HD   PRO   5          2HD       PRO   5  -9.231   5.839   5.839
   36   2HD   PRO   5          1HD       PRO   5  -8.990   7.520   7.520
   37    H    ASN   6           H        ASN   6 -14.396   6.286   6.286
   38    HA   ASN   6           HA       ASN   6 -14.276   4.285   4.285
   39   1HB   ASN   6          2HB       ASN   6 -16.299   5.797   5.797
   40   2HB   ASN   6          1HB       ASN   6 -16.584   4.673   4.673
   41   1HD2  ASN   6          1HD2      ASN   6 -17.268   5.208   5.208
   42   2HD2  ASN   6          2HD2      ASN   6 -17.730   3.630   3.630
   43    H    CYS   7           H        CYS   7 -14.215   4.459   4.459
   44    HA   CYS   7           HA       CYS   7 -13.857   2.872   2.872
   45   1HB   CYS   7          2HB       CYS   7 -12.074   2.298   2.298
   46   2HB   CYS   7          1HB       CYS   7 -12.994   0.796   0.796
   47    HA   PRO   8           HA       PRO   8 -17.643   0.502   0.502
   48   1HB   PRO   8          2HB       PRO   8 -19.549   1.889   1.889
   49   2HB   PRO   8          1HB       PRO   8 -19.045   2.283   2.283
   50   1HG   PRO   8          2HG       PRO   8 -18.474   3.708   3.708
   51   2HG   PRO   8          1HG       PRO   8 -18.475   4.314   4.314
   52   1HD   PRO   8          2HD       PRO   8 -16.193   3.615   3.615
   53   2HD   PRO   8          1HD       PRO   8 -16.219   4.073   4.073
   54    H    ALA   9           H        ALA   9 -18.145   1.992   1.992
   55    HA   ALA   9           HA       ALA   9 -17.576  -0.569  -0.569
   56   1HB   ALA   9          2HB       ALA   9 -20.074  -0.344  -0.344
   57   2HB   ALA   9          1HB       ALA   9 -20.103   0.945   0.945
   58   3HB   ALA   9          3HB       ALA   9 -19.656  -0.694  -0.694
   59    H    GLY  10           H        GLY  10 -16.249   2.048   2.048
   60   1HA   GLY  10          2HA       GLY  10 -16.429   2.789   2.789
   61   2HA   GLY  10          1HA       GLY  10 -16.095   3.961   3.961
   62    H    TRP  11           H        TRP  11 -14.773   0.727   0.727
   63    HA   TRP  11           HA       TRP  11 -12.200   1.611   1.611
   64   1HB   TRP  11          2HB       TRP  11 -12.759   1.472   1.472
   65   2HB   TRP  11          1HB       TRP  11 -11.553   0.259   0.259
   66    HD1  TRP  11           HD       TRP  11 -12.228   4.026   4.026
   67    HE1  TRP  11          1HE       TRP  11  -9.966   5.243   5.243
   68    HE3  TRP  11          3HE       TRP  11  -9.066   0.029   0.029
   69    HZ2  TRP  11          2HZ       TRP  11  -7.179   4.600   4.600
   70    HZ3  TRP  11          3HZ       TRP  11  -6.616   0.354   0.354
   71    HH2  TRP  11           HH       TRP  11  -5.668   2.632   2.632
   72    H    GLN  12           H        GLN  12 -10.779  -0.744  -0.744
   73    HA   GLN  12           HA       GLN  12 -12.346  -2.901  -2.901
   74   1HB   GLN  12          2HB       GLN  12 -10.733  -1.931  -1.931
   75   2HB   GLN  12          1HB       GLN  12  -9.422  -2.404  -2.404
   76   1HG   GLN  12          2HG       GLN  12 -10.396  -4.773  -4.773
   77   2HG   GLN  12          1HG       GLN  12 -11.374  -4.198  -4.198
   78    HA   PRO  13           HA       PRO  13 -10.289  -4.398  -4.398
   79   1HB   PRO  13          2HB       PRO  13 -12.544  -4.872  -4.872
   80   2HB   PRO  13          1HB       PRO  13 -11.699  -3.321  -3.321
   81   1HG   PRO  13          2HG       PRO  13 -14.278  -4.058  -4.058
   82   2HG   PRO  13          1HG       PRO  13 -13.665  -2.463  -2.463
   83   1HD   PRO  13          2HD       PRO  13 -13.747  -3.598  -3.598
   84   2HD   PRO  13          1HD       PRO  13 -13.023  -2.046  -2.046
   85    H    LEU  14           H        LEU  14  -9.674  -6.338  -6.338
   86    HA   LEU  14           HA       LEU  14 -11.448  -8.345  -8.345
   87   1HB   LEU  14          2HB       LEU  14  -8.548  -8.305  -8.305
   88   2HB   LEU  14          1HB       LEU  14  -9.350  -9.846  -9.846
   89    HG   LEU  14           HG       LEU  14 -10.224  -8.582  -8.582
   90   1HD1  LEU  14          2HD1      LEU  14  -7.696  -7.106  -7.106
   91   2HD1  LEU  14          1HD1      LEU  14  -8.357  -7.101  -7.101
   92   3HD1  LEU  14          3HD1      LEU  14  -9.287  -6.412  -6.412
   93   1HD2  LEU  14          1HD2      LEU  14  -8.682 -10.617 -10.617
   94   2HD2  LEU  14          3HD2      LEU  14  -8.474  -9.644  -9.644
   95   3HD2  LEU  14          2HD2      LEU  14  -7.337  -9.483  -9.483
   96    H    GLY  15           H        GLY  15  -9.473  -8.252  -8.252
   97   1HA   GLY  15          2HA       GLY  15 -11.519  -9.058  -9.058
   98   2HA   GLY  15          1HA       GLY  15 -10.612 -10.488 -10.488
   99    H    ASP  16           H        ASP  16  -9.424  -7.211  -7.211
  100    HA   ASP  16           HA       ASP  16  -8.143  -7.802  -7.802
  101   1HB   ASP  16          2HB       ASP  16  -6.695  -7.973  -7.973
  102   2HB   ASP  16          1HB       ASP  16  -5.984  -6.786  -6.786
  103    H    ARG  17           H        ARG  17  -9.865  -6.107  -6.107
  104    HA   ARG  17           HA       ARG  17 -10.392  -3.917  -3.917
  105   1HB   ARG  17          2HB       ARG  17  -7.437  -3.536  -3.536
  106   2HB   ARG  17          1HB       ARG  17  -8.513  -2.230  -2.230
  107   1HG   ARG  17          2HG       ARG  17  -8.406  -4.807  -4.807
  108   2HG   ARG  17          1HG       ARG  17  -7.295  -3.479  -3.479
  109   1HD   ARG  17          2HD       ARG  17  -9.479  -2.028  -2.028
  110   2HD   ARG  17          1HD       ARG  17 -10.281  -3.573  -3.573
  111    HE   ARG  17           HE       ARG  17  -8.774  -2.115  -2.115
  112   1HH1  ARG  17          1HH2      ARG  17 -10.861  -4.515  -4.515
  113   2HH1  ARG  17          2HH2      ARG  17  -9.942  -5.633  -5.633
  114   1HH2  ARG  17          1HH1      ARG  17  -6.955  -3.913  -3.913
  115   2HH2  ARG  17          2HH1      ARG  17  -7.730  -5.292  -5.292
  116    H    CYS  18           H        CYS  18  -7.965  -2.969  -2.969
  117    HA   CYS  18           HA       CYS  18  -9.772  -2.822  -2.822
  118   1HB   CYS  18          2HB       CYS  18  -9.184  -0.409  -0.409
  119   2HB   CYS  18          1HB       CYS  18  -9.182  -0.217  -0.217
  120    H    ILE  19           H        ILE  19  -8.630  -2.607  -2.607
  121    HA   ILE  19           HA       ILE  19  -5.887  -1.705  -1.705
  122    HB   ILE  19           HB       ILE  19  -5.565  -3.981  -3.981
  123   1HD1  ILE  19          1HD1      ILE  19  -3.868  -5.404  -5.404
  124   2HD1  ILE  19          3HD1      ILE  19  -4.203  -5.950  -5.950
  125   3HD1  ILE  19          2HD1      ILE  19  -2.752  -5.007  -5.007
  126    H    TYR  20           H        TYR  20  -4.920  -1.667  -1.667
  127    HA   TYR  20           HA       TYR  20  -6.864  -1.826  -1.826
  128   1HB   TYR  20          2HB       TYR  20  -5.776   0.577   0.577
  129   2HB   TYR  20          1HB       TYR  20  -5.135   0.398   0.398
  130    HD1  TYR  20          2HD       TYR  20  -8.465  -0.380  -0.380
  131    HD2  TYR  20          1HD       TYR  20  -6.337   1.638   1.638
  132    HE1  TYR  20          2HE       TYR  20 -10.611   0.400   0.400
  133    HE2  TYR  20          1HE       TYR  20  -8.488   2.422   2.422
  134    HH   TYR  20           HH       TYR  20 -10.868   1.735   1.735
  135    H    TYR  21           H        TYR  21  -5.228  -0.881  -0.881
  136    HA   TYR  21           HA       TYR  21  -2.626  -2.084  -2.084
  137   1HB   TYR  21          2HB       TYR  21  -3.900  -4.153  -4.153
  138   2HB   TYR  21          1HB       TYR  21  -4.844  -3.480  -3.480
  139    HD1  TYR  21          2HD       TYR  21  -1.210  -3.971  -3.971
  140    HD2  TYR  21          1HD       TYR  21  -4.228  -4.088  -4.088
  141    HE1  TYR  21          2HE       TYR  21   0.467  -4.785  -4.785
  142    HE2  TYR  21          1HE       TYR  21  -2.546  -4.900  -4.900
  143    HH   TYR  21           HH       TYR  21  -0.146  -4.894  -4.894
  144    H    GLU  22           H        GLU  22  -1.478  -1.697  -1.697
  145    HA   GLU  22           HA       GLU  22  -2.823   0.022   0.022
  146   1HB   GLU  22          2HB       GLU  22  -1.267   1.137   1.137
  147   2HB   GLU  22          1HB       GLU  22  -0.073   0.852   0.852
  148   1HG   GLU  22          2HG       GLU  22  -0.821   2.854   2.854
  149   2HG   GLU  22          1HG       GLU  22  -2.123   1.873   1.873
  150    H    THR  23           H        THR  23  -1.093   0.513   0.513
  151    HA   THR  23           HA       THR  23   0.552  -1.880  -1.880
  152    HB   THR  23           HB       THR  23  -0.350  -1.708  -1.708
  153    HG1  THR  23          1HG       THR  23  -1.629   0.045   0.045
  154    H    THR  24           H        THR  24  -0.418   1.343   1.343
  155    HA   THR  24           HA       THR  24   1.772   1.810   1.810
  156    HB   THR  24           HB       THR  24   0.726   4.100   4.100
  157    HG1  THR  24          1HG       THR  24  -0.837   2.658   2.658
  158    H    ALA  25           H        ALA  25   3.861   2.340   2.340
  159    HA   ALA  25           HA       ALA  25   5.047   1.913   1.913
  160   1HB   ALA  25          1HB       ALA  25   6.320   1.760   1.760
  161   2HB   ALA  25          3HB       ALA  25   6.155   3.501   3.501
  162   3HB   ALA  25          2HB       ALA  25   7.086   2.881   2.881
  163    H    MET  26           H        MET  26   5.162   3.060   3.060
  164    HA   MET  26           HA       MET  26   5.553   5.910   5.910
  165   1HB   MET  26          2HB       MET  26   3.585   6.316   6.316
  166   2HB   MET  26          1HB       MET  26   3.183   6.081   6.081
  167   1HG   MET  26          2HG       MET  26   2.847   3.600   3.600
  168   2HG   MET  26          1HG       MET  26   2.869   4.127   4.127
  169   1HE   MET  26          2HE       MET  26   1.720   4.717   4.717
  170   2HE   MET  26          1HE       MET  26  -0.026   4.940   4.940
  171   3HE   MET  26          3HE       MET  26   1.053   6.319   6.319
  172    H    THR  27           H        THR  27   7.228   5.828   5.828
  173    HA   THR  27           HA       THR  27   7.476   3.927   3.927
  174    HB   THR  27           HB       THR  27   9.126   5.856   5.856
  175    HG1  THR  27          1HG       THR  27  10.006   3.818   3.818
  176    H    TRP  28           H        TRP  28   8.120   4.638   4.638
  177    HA   TRP  28           HA       TRP  28   6.449   5.278   5.278
  178   1HB   TRP  28          2HB       TRP  28   9.171   5.484   5.484
  179   2HB   TRP  28          1HB       TRP  28   8.732   7.106   7.106
  180    HD1  TRP  28           HD       TRP  28   9.365   3.703   3.703
  181    HE1  TRP  28          1HE       TRP  28   8.788   3.430   3.430
  182    HE3  TRP  28          3HE       TRP  28   6.808   8.035   8.035
  183    HZ2  TRP  28          2HZ       TRP  28   7.418   4.884   4.884
  184    HZ3  TRP  28          3HZ       TRP  28   5.878   8.577   8.577
  185    HH2  TRP  28           HH       TRP  28   6.179   7.009   7.009
  186    H    ALA  29           H        ALA  29   8.022   7.985   7.985
  187    HA   ALA  29           HA       ALA  29   6.478  10.031  10.031
  188   1HB   ALA  29          3HB       ALA  29   8.690  10.232  10.232
  189   2HB   ALA  29          2HB       ALA  29   7.682  10.229  10.229
  190   3HB   ALA  29          1HB       ALA  29   7.485  11.498  11.498
  191    H    LEU  30           H        LEU  30   6.299   8.773   8.773
  192    HA   LEU  30           HA       LEU  30   3.875  10.086  10.086
  193   1HB   LEU  30          2HB       LEU  30   5.293   7.712   7.712
  194   2HB   LEU  30          1HB       LEU  30   3.735   8.260   8.260
  195    HG   LEU  30           HG       LEU  30   6.117  10.097  10.097
  196   1HD1  LEU  30          3HD1      LEU  30   6.403   8.130   8.130
  197   2HD1  LEU  30          2HD1      LEU  30   5.149   8.923   8.923
  198   3HD1  LEU  30          1HD1      LEU  30   6.667   9.757   9.757
  199   1HD2  LEU  30          1HD2      LEU  30   3.396  10.284  10.284
  200   2HD2  LEU  30          3HD2      LEU  30   4.117  11.366  11.366
  201   3HD2  LEU  30          2HD2      LEU  30   4.713  11.360  11.360
  202    H    ALA  31           H        ALA  31   4.573   6.912   6.912
  203    HA   ALA  31           HA       ALA  31   1.924   5.884   5.884
  204   1HB   ALA  31          1HB       ALA  31   4.339   5.181   5.181
  205   2HB   ALA  31          3HB       ALA  31   2.789   4.374   4.374
  206   3HB   ALA  31          2HB       ALA  31   3.603   4.267   4.267
  207    H    GLU  32           H        GLU  32   3.770   7.106   7.106
  208    HA   GLU  32           HA       GLU  32   1.730   7.139   7.139
  209   1HB   GLU  32          2HB       GLU  32   4.175   7.640   7.640
  210   2HB   GLU  32          1HB       GLU  32   3.865   9.269   9.269
  211   1HG   GLU  32          2HG       GLU  32   1.893   9.224   9.224
  212   2HG   GLU  32          1HG       GLU  32   2.852   7.951   7.951
  213    H    THR  33           H        THR  33   2.347   9.376   9.376
  214    HA   THR  33           HA       THR  33   0.785  11.557  11.557
  215    HB   THR  33           HB       THR  33   1.274  10.581  10.581
  216    HG1  THR  33          1HG       THR  33   3.184  11.331  11.331
  217    H    ASN  34           H        ASN  34  -0.154   9.179   9.179
  218    HA   ASN  34           HA       ASN  34  -2.914   9.770   9.770
  219   1HB   ASN  34          2HB       ASN  34  -3.201   7.586   7.586
  220   2HB   ASN  34          1HB       ASN  34  -2.009   8.645   8.645
  221   1HD2  ASN  34          1HD2      ASN  34  -2.284   5.848   5.848
  222   2HD2  ASN  34          2HD2      ASN  34  -0.741   5.228   5.228
  223    H    CYS  35           H        CYS  35  -0.877   7.540   7.540
  224    HA   CYS  35           HA       CYS  35  -2.915   5.941   5.941
  225   1HB   CYS  35          2HB       CYS  35  -0.301   5.649   5.649
  226   2HB   CYS  35          1HB       CYS  35  -0.393   6.553   6.553
  227    H    MET  36           H        MET  36  -1.010   8.558   8.558
  228    HA   MET  36           HA       MET  36  -2.544   8.771   8.771
  229   1HB   MET  36          2HB       MET  36  -0.268   9.825   9.825
  230   2HB   MET  36          1HB       MET  36  -1.158  11.111  11.111
  231   1HG   MET  36          2HG       MET  36  -2.500  11.429  11.429
  232   2HG   MET  36          1HG       MET  36  -1.435  10.271  10.271
  233   1HE   MET  36          3HE       MET  36  -0.089  11.273  11.273
  234   2HE   MET  36          2HE       MET  36   1.043  10.596  10.596
  235   3HE   MET  36          1HE       MET  36   1.376  12.165  12.165
  236    H    LYS  37           H        LYS  37  -3.056  10.084  10.084
  237    HA   LYS  37           HA       LYS  37  -4.895  12.121  12.121
  238   1HB   LYS  37          2HB       LYS  37  -4.222  10.504  10.504
  239   2HB   LYS  37          1HB       LYS  37  -5.813  11.267  11.267
  240   1HG   LYS  37          2HG       LYS  37  -4.938  13.414  13.414
  241   2HG   LYS  37          1HG       LYS  37  -3.445  12.903  12.903
  242   1HD   LYS  37          2HD       LYS  37  -2.913  13.459  13.459
  243   2HD   LYS  37          1HD       LYS  37  -2.826  11.705  11.705
  244   1HE   LYS  37          2HE       LYS  37  -4.995  11.426  11.426
  245   2HE   LYS  37          1HE       LYS  37  -5.297  13.163  13.163
  246   1HZ   LYS  37          3HZ       LYS  37  -3.088  11.895  11.895
  247   2HZ   LYS  37          2HZ       LYS  37  -4.583  12.332  12.332
  248   3HZ   LYS  37          1HZ       LYS  37  -3.552  13.526  13.526
  249    H    LEU  38           H        LEU  38  -5.261   8.648   8.648
  250    HA   LEU  38           HA       LEU  38  -8.185   8.877   8.877
  251   1HB   LEU  38          2HB       LEU  38  -6.344   6.506   6.506
  252   2HB   LEU  38          1HB       LEU  38  -8.079   6.350   6.350
  253    HG   LEU  38           HG       LEU  38  -6.987   8.083   8.083
  254   1HD1  LEU  38          3HD1      LEU  38  -7.250   5.120   5.120
  255   2HD1  LEU  38          2HD1      LEU  38  -7.832   5.889   5.889
  256   3HD1  LEU  38          1HD1      LEU  38  -6.155   6.102   6.102
  257   1HD2  LEU  38          2HD2      LEU  38  -9.462   7.999   7.999
  258   2HD2  LEU  38          1HD2      LEU  38  -9.183   8.174   8.174
  259   3HD2  LEU  38          3HD2      LEU  38  -9.582   6.594   6.594
  260    H    GLY  39           H        GLY  39  -6.299   9.703   9.703
  261   1HA   GLY  39          2HA       GLY  39  -6.149   9.560   9.560
  262   2HA   GLY  39          1HA       GLY  39  -7.735   8.797   8.797
  263    H    GLY  40           H        GLY  40  -4.293   8.275   8.275
  264   1HA   GLY  40          2HA       GLY  40  -4.215   6.043   6.043
  265   2HA   GLY  40          1HA       GLY  40  -4.474   5.381   5.381
  266    H    HIS  41           H        HIS  41  -2.386   4.358   4.358
  267    HA   HIS  41           HA       HIS  41  -0.243   6.059   6.059
  268   1HB   HIS  41          2HB       HIS  41   0.153   4.421   4.421
  269   2HB   HIS  41          1HB       HIS  41   1.383   5.368   5.368
  270    HD1  HIS  41          1HD       HIS  41   1.251   7.955   7.955
  271    HD2  HIS  41          2HD       HIS  41  -1.712   5.958   5.958
  272    HE1  HIS  41          1HE       HIS  41   0.187   9.676   9.676
  273    H    LEU  42           H        LEU  42   1.858   4.375   4.375
  274    HA   LEU  42           HA       LEU  42   1.306   2.524   2.524
  275   1HB   LEU  42          2HB       LEU  42   3.625   2.735   2.735
  276   2HB   LEU  42          1HB       LEU  42   3.563   1.530   1.530
  277    HG   LEU  42           HG       LEU  42   3.182   4.481   4.481
  278   1HD1  LEU  42          2HD1      LEU  42   5.505   3.518   3.518
  279   2HD1  LEU  42          1HD1      LEU  42   5.778   3.207   3.207
  280   3HD1  LEU  42          3HD1      LEU  42   5.434   4.844   4.844
  281   1HD2  LEU  42          1HD2      LEU  42   2.629   2.367   2.367
  282   2HD2  LEU  42          3HD2      LEU  42   3.229   3.897   3.897
  283   3HD2  LEU  42          2HD2      LEU  42   4.343   2.556   2.556
  284    H    ALA  43           H        ALA  43   1.638   0.146   0.146
  285    HA   ALA  43           HA       ALA  43  -0.232  -1.072  -1.072
  286   1HB   ALA  43          1HB       ALA  43   1.509  -1.888  -1.888
  287   2HB   ALA  43          3HB       ALA  43   1.722  -3.022  -3.022
  288   3HB   ALA  43          2HB       ALA  43   0.116  -2.747  -2.747
  289    H    SER  44           H        SER  44   0.649  -3.233  -3.233
  290    HA   SER  44           HA       SER  44   2.977  -2.937  -2.937
  291   1HB   SER  44          2HB       SER  44   0.343  -2.032  -2.032
  292   2HB   SER  44          1HB       SER  44   1.574  -2.739  -2.739
  293    HG   SER  44           HG       SER  44   3.002  -1.134  -1.134
  294    H    ILE  45           H        ILE  45  -0.323  -4.209  -4.209
  295    HA   ILE  45           HA       ILE  45  -1.238  -6.236  -6.236
  296    HB   ILE  45           HB       ILE  45  -0.238  -8.136  -8.136
  297   1HD1  ILE  45          1HD1      ILE  45   1.452  -9.301  -9.301
  298   2HD1  ILE  45          3HD1      ILE  45   1.903  -8.103  -8.103
  299   3HD1  ILE  45          2HD1      ILE  45   3.116  -8.723  -8.723
  300    H    HIS  46           H        HIS  46  -0.374  -8.658  -8.658
  301    HA   HIS  46           HA       HIS  46   1.456  -8.327  -8.327
  302   1HB   HIS  46          2HB       HIS  46  -1.077  -7.882  -7.882
  303   2HB   HIS  46          1HB       HIS  46  -1.171  -9.643  -9.643
  304    HD1  HIS  46          1HD       HIS  46   0.063 -10.952 -10.952
  305    HD2  HIS  46          2HD       HIS  46   0.618  -6.828  -6.828
  306    HE1  HIS  46          1HE       HIS  46   1.152 -10.520 -10.520
  307    H    SER  47           H        SER  47  -0.895 -10.608 -10.608
  308    HA   SER  47           HA       SER  47   0.647 -12.914 -12.914
  309   1HB   SER  47          2HB       SER  47  -1.530 -12.725 -12.725
  310   2HB   SER  47          1HB       SER  47  -0.974 -14.173 -14.173
  311    HG   SER  47           HG       SER  47  -2.911 -12.639 -12.639
  312    H    GLN  48           H        GLN  48   1.106 -14.533 -14.533
  313    HA   GLN  48           HA       GLN  48   2.986 -13.192 -13.192
  314   1HB   GLN  48          2HB       GLN  48   2.574 -16.049 -16.049
  315   2HB   GLN  48          1HB       GLN  48   3.568 -15.659 -15.659
  316   1HG   GLN  48          2HG       GLN  48   4.844 -14.044 -14.044
  317   2HG   GLN  48          1HG       GLN  48   3.979 -14.748 -14.748
  318    H    GLU  49           H        GLU  49  -0.017 -14.993 -14.993
  319    HA   GLU  49           HA       GLU  49  -0.092 -15.679 -15.679
  320   1HB   GLU  49          2HB       GLU  49  -2.577 -15.621 -15.621
  321   2HB   GLU  49          1HB       GLU  49  -1.773 -16.538 -16.538
  322   1HG   GLU  49          2HG       GLU  49  -2.994 -15.251 -15.251
  323   2HG   GLU  49          1HG       GLU  49  -1.785 -14.013 -14.013
  324    H    GLU  50           H        GLU  50  -0.603 -12.628 -12.628
  325    HA   GLU  50           HA       GLU  50  -1.828 -11.254 -11.254
  326   1HB   GLU  50          2HB       GLU  50  -0.542 -10.495 -10.495
  327   2HB   GLU  50          1HB       GLU  50  -0.482  -9.272  -9.272
  328   1HG   GLU  50          2HG       GLU  50  -2.752  -8.955  -8.955
  329   2HG   GLU  50          1HG       GLU  50  -3.092 -10.644 -10.644
  330    H    HIS  51           H        HIS  51   1.481 -12.033 -12.033
  331    HA   HIS  51           HA       HIS  51   2.812 -10.329 -10.329
  332   1HB   HIS  51          2HB       HIS  51   3.707 -11.989 -11.989
  333   2HB   HIS  51          1HB       HIS  51   3.920 -13.049 -13.049
  334    HD1  HIS  51          1HD       HIS  51   6.342 -12.881 -12.881
  335    HD2  HIS  51          2HD       HIS  51   4.693  -9.140  -9.140
  336    HE1  HIS  51          1HE       HIS  51   8.145 -11.177 -11.177
  337    H    SER  52           H        SER  52   1.540 -13.632 -13.632
  338    HA   SER  52           HA       SER  52   2.336 -14.275 -14.275
  339   1HB   SER  52          2HB       SER  52  -0.329 -15.086 -15.086
  340   2HB   SER  52          1HB       SER  52   0.713 -15.989 -15.989
  341    HG   SER  52           HG       SER  52   2.113 -16.370 -16.370
  342    H    PHE  53           H        PHE  53  -0.427 -12.423 -12.423
  343    HA   PHE  53           HA       PHE  53  -1.896 -12.202 -12.202
  344   1HB   PHE  53          2HB       PHE  53  -2.412 -11.393 -11.393
  345   2HB   PHE  53          1HB       PHE  53  -1.736  -9.874  -9.874
  346    HD1  PHE  53          2HD       PHE  53  -4.107 -12.541 -12.541
  347    HD2  PHE  53          1HD       PHE  53  -3.095  -8.387  -8.387
  348    HE1  PHE  53          2HE       PHE  53  -6.246 -12.001 -12.001
  349    HE2  PHE  53          1HE       PHE  53  -5.219  -7.841  -7.841
  350    HZ   PHE  53           HZ       PHE  53  -6.829  -9.640  -9.640
  351    H    ILE  54           H        ILE  54   0.967 -10.519 -10.519
  352    HA   ILE  54           HA       ILE  54   0.846  -8.434  -8.434
  353    HB   ILE  54           HB       ILE  54   3.261  -9.380  -9.380
  354   1HD1  ILE  54          3HD1      ILE  54   3.802  -7.230  -7.230
  355   2HD1  ILE  54          2HD1      ILE  54   2.560  -6.947  -6.947
  356   3HD1  ILE  54          1HD1      ILE  54   3.291  -8.544  -8.544
  357    H    GLN  55           H        GLN  55   2.707 -11.440 -11.440
  358    HA   GLN  55           HA       GLN  55   4.215 -11.221 -11.221
  359   1HB   GLN  55          2HB       GLN  55   3.435 -13.476 -13.476
  360   2HB   GLN  55          1HB       GLN  55   4.136 -13.854 -13.854
  361   1HG   GLN  55          2HG       GLN  55   6.047 -13.686 -13.686
  362   2HG   GLN  55          1HG       GLN  55   5.925 -12.051 -12.051
  363    H    THR  56           H        THR  56   0.971 -12.400 -12.400
  364    HA   THR  56           HA       THR  56   0.555 -13.704 -13.704
  365    HB   THR  56           HB       THR  56  -1.944 -13.029 -13.029
  366    HG1  THR  56          1HG       THR  56  -1.213 -11.590 -11.590
  367    H    LEU  57           H        LEU  57   0.302 -10.374 -10.374
  368    HA   LEU  57           HA       LEU  57  -1.043  -9.511  -9.511
  369   1HB   LEU  57          2HB       LEU  57  -0.226  -8.280  -8.280
  370   2HB   LEU  57          1HB       LEU  57  -0.161  -7.206  -7.206
  371    HG   LEU  57           HG       LEU  57  -2.371  -7.109  -7.109
  372   1HD1  LEU  57          1HD1      LEU  57  -1.911  -7.197  -7.197
  373   2HD1  LEU  57          3HD1      LEU  57  -2.980  -8.592  -8.592
  374   3HD1  LEU  57          2HD1      LEU  57  -3.531  -7.003  -7.003
  375   1HD2  LEU  57          1HD2      LEU  57  -2.508 -10.057 -10.057
  376   2HD2  LEU  57          3HD2      LEU  57  -2.425  -9.388  -9.388
  377   3HD2  LEU  57          2HD2      LEU  57  -3.849  -9.102  -9.102
  378    H    ASN  58           H        ASN  58   2.204  -9.491  -9.491
  379    HA   ASN  58           HA       ASN  58   4.227  -8.687  -8.687
  380   1HB   ASN  58          2HB       ASN  58   4.648  -9.633  -9.633
  381   2HB   ASN  58          1HB       ASN  58   4.448 -10.743 -10.743
  382   1HD2  ASN  58          1HD2      ASN  58   2.129 -11.580 -11.580
  383   2HD2  ASN  58          2HD2      ASN  58   1.197 -11.841 -11.841
  384    H    ALA  59           H        ALA  59   4.173  -6.490  -6.490
  385    HA   ALA  59           HA       ALA  59   4.006  -5.345  -5.345
  386   1HB   ALA  59          3HB       ALA  59   2.153  -4.596  -4.596
  387   2HB   ALA  59          2HB       ALA  59   2.599  -3.416  -3.416
  388   3HB   ALA  59          1HB       ALA  59   1.769  -4.901  -4.901
  389    H    GLY  60           H        GLY  60   6.006  -5.830  -5.830
  390   1HA   GLY  60          2HA       GLY  60   7.996  -4.274  -4.274
  391   2HA   GLY  60          1HA       GLY  60   6.866  -3.029  -3.029
  392    H    VAL  61           H        VAL  61   8.148  -2.698  -2.698
  393    HA   VAL  61           HA       VAL  61   8.120  -4.990  -4.990
  394    HB   VAL  61           HB       VAL  61   9.309  -2.464  -2.464
  395    H    VAL  62           H        VAL  62   7.983  -3.710  -3.710
  396    HA   VAL  62           HA       VAL  62   5.405  -2.268  -2.268
  397    HB   VAL  62           HB       VAL  62   4.847  -3.457  -3.457
  398    H    TRP  63           H        TRP  63   6.021  -0.291  -0.291
  399    HA   TRP  63           HA       TRP  63   8.242   0.333   0.333
  400   1HB   TRP  63          2HB       TRP  63   5.918   1.947   1.947
  401   2HB   TRP  63          1HB       TRP  63   7.162   2.651   2.651
  402    HD1  TRP  63           HD       TRP  63   6.445   2.397   2.397
  403    HE1  TRP  63          1HE       TRP  63   8.575   2.448   2.448
  404    HE3  TRP  63          3HE       TRP  63   9.979   1.449   1.449
  405    HZ2  TRP  63          2HZ       TRP  63  11.400   2.131   2.131
  406    HZ3  TRP  63          3HZ       TRP  63  12.377   1.326   1.326
  407    HH2  TRP  63           HH       TRP  63  13.093   1.665   1.665
  408    H    ILE  64           H        ILE  64   8.250  -0.462  -0.462
  409    HA   ILE  64           HA       ILE  64   6.165   0.512   0.512
  410    HB   ILE  64           HB       ILE  64   7.396  -2.245  -2.245
  411   1HD1  ILE  64          2HD1      ILE  64   4.395  -0.392  -0.392
  412   2HD1  ILE  64          1HD1      ILE  64   4.172  -0.758  -0.758
  413   3HD1  ILE  64          3HD1      ILE  64   3.405  -1.765  -1.765
  414    H    GLY  65           H        GLY  65   7.701   2.152   2.152
  415   1HA   GLY  65          2HA       GLY  65   9.169   1.777   1.777
  416   2HA   GLY  65          1HA       GLY  65  10.313   1.464   1.464
  417    H    GLY  66           H        GLY  66   9.991   3.666   3.666
  418   1HA   GLY  66          2HA       GLY  66   9.274   6.086   6.086
  419   2HA   GLY  66          1HA       GLY  66  10.362   5.939   5.939
  420    H    SER  67           H        SER  67  12.417   6.501   6.501
  421    HA   SER  67           HA       SER  67  13.973   5.896   5.896
  422   1HB   SER  67          2HB       SER  67  14.238   8.360   8.360
  423   2HB   SER  67          1HB       SER  67  12.830   7.470   7.470
  424    HG   SER  67           HG       SER  67  12.336   9.561   9.561
  425    H    ALA  68           H        ALA  68  16.130   6.633   6.633
  426    HA   ALA  68           HA       ALA  68  16.889   8.379   8.379
  427   1HB   ALA  68          2HB       ALA  68  16.491   5.856   5.856
  428   2HB   ALA  68          1HB       ALA  68  18.142   5.693   5.693
  429   3HB   ALA  68          3HB       ALA  68  17.771   6.873   6.873
  430    H    CYS  69           H        CYS  69  17.864   9.527   9.527
  431    HA   CYS  69           HA       CYS  69  20.544   8.624   8.624
  432   1HB   CYS  69          2HB       CYS  69  20.235   8.959   8.959
  433   2HB   CYS  69          1HB       CYS  69  19.413   7.537   7.537
  434    H    LEU  70           H        LEU  70  19.150  10.854  10.854
  435    HA   LEU  70           HA       LEU  70  20.684  13.016  13.016
  436   1HB   LEU  70          2HB       LEU  70  17.717  12.890  12.890
  437   2HB   LEU  70          1HB       LEU  70  18.420  14.430  14.430
  438    HG   LEU  70           HG       LEU  70  19.205  12.913  12.913
  439   1HD1  LEU  70          3HD1      LEU  70  16.813  14.060  14.060
  440   2HD1  LEU  70          2HD1      LEU  70  17.744  15.521  15.521
  441   3HD1  LEU  70          1HD1      LEU  70  17.722  14.201  14.201
  442   1HD2  LEU  70          2HD2      LEU  70  20.115  15.406  15.406
  443   2HD2  LEU  70          1HD2      LEU  70  21.032  14.264  14.264
  444   3HD2  LEU  70          3HD2      LEU  70  19.990  15.456  15.456
  445    H    GLN  71           H        GLN  71  20.767  11.453  11.453
  446    HA   GLN  71           HA       GLN  71  20.686  13.688  13.688
  447   1HB   GLN  71          2HB       GLN  71  19.063  11.199  11.199
  448   2HB   GLN  71          1HB       GLN  71  19.820  11.769  11.769
  449   1HG   GLN  71          2HG       GLN  71  18.856  14.111  14.111
  450   2HG   GLN  71          1HG       GLN  71  17.702  13.059  13.059
  451    H    ALA  72           H        ALA  72  21.525  12.604  12.604
  452    HA   ALA  72           HA       ALA  72  24.136  11.456  11.456
  453   1HB   ALA  72          1HB       ALA  72  23.117  13.070  13.070
  454   2HB   ALA  72          3HB       ALA  72  24.500  12.006  12.006
  455   3HB   ALA  72          2HB       ALA  72  24.583  13.282  13.282
  456    H    GLY  73           H        GLY  73  21.772   9.798   9.798
  457   1HA   GLY  73          2HA       GLY  73  21.668   7.487   7.487
  458   2HA   GLY  73          1HA       GLY  73  22.667   7.793   7.793
  459    H    ALA  74           H        ALA  74  19.521   7.340   7.340
  460    HA   ALA  74           HA       ALA  74  18.431   7.647   7.647
  461   1HB   ALA  74          1HB       ALA  74  18.207   9.892   9.892
  462   2HB   ALA  74          3HB       ALA  74  16.982   9.051   9.051
  463   3HB   ALA  74          2HB       ALA  74  16.776   9.234   9.234
  464    H    TRP  75           H        TRP  75  17.437   7.293   7.293
  465    HA   TRP  75           HA       TRP  75  16.114   5.747   5.747
  466   1HB   TRP  75          2HB       TRP  75  17.430   4.174   4.174
  467   2HB   TRP  75          1HB       TRP  75  16.055   3.434   3.434
  468    HD1  TRP  75           HD       TRP  75  19.678   3.997   3.997
  469    HE1  TRP  75          1HE       TRP  75  20.470   3.364   3.364
  470    HE3  TRP  75          3HE       TRP  75  15.164   3.572   3.572
  471    HZ2  TRP  75          2HZ       TRP  75  19.341   2.758   2.758
  472    HZ3  TRP  75          3HZ       TRP  75  15.053   2.967   2.967
  473    HH2  TRP  75           HH       TRP  75  17.133   2.560   2.560
  474    H    THR  76           H        THR  76  14.050   6.373   6.373
  475    HA   THR  76           HA       THR  76  12.429   5.670   5.670
  476    HB   THR  76           HB       THR  76  11.016   7.611   7.611
  477    HG1  THR  76          1HG       THR  76  11.106   8.433   8.433
  478    H    TRP  77           H        TRP  77  10.259   5.030   5.030
  479    HA   TRP  77           HA       TRP  77   9.984   3.557   3.557
  480   1HB   TRP  77          2HB       TRP  77   8.653   3.590   3.590
  481   2HB   TRP  77          1HB       TRP  77   7.601   3.207   3.207
  482    HD1  TRP  77           HD       TRP  77  10.188   1.720   1.720
  483    HE1  TRP  77          1HE       TRP  77  10.804  -0.648  -0.648
  484    HE3  TRP  77          3HE       TRP  77   7.928   1.750   1.750
  485    HZ2  TRP  77          2HZ       TRP  77  10.390  -2.307  -2.307
  486    HZ3  TRP  77          3HZ       TRP  77   8.054  -0.223  -0.223
  487    HH2  TRP  77           HH       TRP  77   9.281  -2.254  -2.254
  488    H    SER  78           H        SER  78   7.402   3.603   3.603
  489    HA   SER  78           HA       SER  78   7.075   5.917   5.917
  490   1HB   SER  78          2HB       SER  78   4.762   5.150   5.150
  491   2HB   SER  78          1HB       SER  78   5.902   3.815   3.815
  492    HG   SER  78           HG       SER  78   3.845   3.771   3.771
  493    H    ASP  79           H        ASP  79   5.931   5.094   5.094
  494    HA   ASP  79           HA       ASP  79   5.478   7.887   7.887
  495   1HB   ASP  79          2HB       ASP  79   3.317   7.011   7.011
  496   2HB   ASP  79          1HB       ASP  79   3.141   6.021   6.021
  497    H    GLY  80           H        GLY  80   7.158   5.618   5.618
  498   1HA   GLY  80          2HA       GLY  80   7.976   4.715   4.715
  499   2HA   GLY  80          1HA       GLY  80   7.218   6.087   6.087
  500    H    THR  81           H        THR  81   5.275   3.850   3.850
  501    HA   THR  81           HA       THR  81   4.051   2.957   2.957
  502    HB   THR  81           HB       THR  81   2.428   2.135   2.135
  503    HG1  THR  81          1HG       THR  81   3.303   4.823   4.823
  504    HA   PRO  82           HA       PRO  82   4.611  -1.200  -1.200
  505   1HB   PRO  82          2HB       PRO  82   5.643  -1.339  -1.339
  506   2HB   PRO  82          1HB       PRO  82   3.922  -1.114  -1.114
  507   1HG   PRO  82          2HG       PRO  82   5.892   0.827   0.827
  508   2HG   PRO  82          1HG       PRO  82   4.129   0.821   0.821
  509   1HD   PRO  82          2HD       PRO  82   5.702   2.381   2.381
  510   2HD   PRO  82          1HD       PRO  82   3.929   2.266   2.266
  511    H    MET  83           H        MET  83   6.263  -2.637  -2.637
  512    HA   MET  83           HA       MET  83   9.014  -2.012  -2.012
  513   1HB   MET  83          2HB       MET  83   9.785  -2.175  -2.175
  514   2HB   MET  83          1HB       MET  83   8.796  -0.746  -0.746
  515   1HG   MET  83          2HG       MET  83   6.946  -1.623  -1.623
  516   2HG   MET  83          1HG       MET  83   7.503  -3.287  -3.287
  517   1HE   MET  83          2HE       MET  83   7.087  -0.335  -0.335
  518   2HE   MET  83          1HE       MET  83   8.225  -0.320  -0.320
  519   3HE   MET  83          3HE       MET  83   8.740   0.214   0.214
  520    H    ASN  84           H        ASN  84   7.185  -4.091  -4.091
  521    HA   ASN  84           HA       ASN  84   8.709  -6.393  -6.393
  522   1HB   ASN  84          2HB       ASN  84   6.377  -7.642  -7.642
  523   2HB   ASN  84          1HB       ASN  84   6.892  -6.799  -6.799
  524   1HD2  ASN  84          1HD2      ASN  84   5.668  -5.232  -5.232
  525   2HD2  ASN  84          2HD2      ASN  84   4.288  -4.577  -4.577
  526    H    PHE  85           H        PHE  85   7.714  -8.445  -8.445
  527    HA   PHE  85           HA       PHE  85   7.474  -9.510  -9.510
  528   1HB   PHE  85          2HB       PHE  85   5.843  -7.331  -7.331
  529   2HB   PHE  85          1HB       PHE  85   6.980  -7.087  -7.087
  530    HD1  PHE  85          1HD       PHE  85   7.644  -9.802  -9.802
  531    HD2  PHE  85          2HD       PHE  85   3.872  -8.188  -8.188
  532    HE1  PHE  85          1HE       PHE  85   6.457 -11.526 -11.526
  533    HE2  PHE  85          2HE       PHE  85   2.689  -9.915  -9.915
  534    HZ   PHE  85           HZ       PHE  85   3.980 -11.583 -11.583
  535    H    ARG  86           H        ARG  86   9.977  -8.351  -8.351
  536    HA   ARG  86           HA       ARG  86  11.320  -7.831  -7.831
  537   1HB   ARG  86          2HB       ARG  86  12.306  -7.168  -7.168
  538   2HB   ARG  86          1HB       ARG  86  13.097  -6.749  -6.749
  539   1HG   ARG  86          2HG       ARG  86  10.257  -5.906  -5.906
  540   2HG   ARG  86          1HG       ARG  86  11.452  -5.046  -5.046
  541   1HD   ARG  86          2HD       ARG  86  11.560  -3.785  -3.785
  542   2HD   ARG  86          1HD       ARG  86  12.774  -5.002  -5.002
  543    HE   ARG  86           HE       ARG  86  11.421  -5.549  -5.549
  544   1HH1  ARG  86          1HH2      ARG  86   9.458  -3.899  -3.899
  545   2HH1  ARG  86          2HH2      ARG  86   7.960  -4.407  -4.407
  546   1HH2  ARG  86          1HH1      ARG  86   9.438  -6.442  -6.442
  547   2HH2  ARG  86          2HH1      ARG  86   7.948  -5.838  -5.838
  548    H    SER  87           H        SER  87  11.669  -9.947  -9.947
  549    HA   SER  87           HA       SER  87  13.503 -11.491 -11.491
  550   1HB   SER  87          2HB       SER  87  11.375 -12.517 -12.517
  551   2HB   SER  87          1HB       SER  87  12.581 -13.534 -13.534
  552    HG   SER  87           HG       SER  87  10.282 -12.780 -12.780
  553    H    TRP  88           H        TRP  88  13.826  -9.515  -9.515
  554    HA   TRP  88           HA       TRP  88  14.762 -10.856 -10.856
  555   1HB   TRP  88          2HB       TRP  88  15.981  -8.838  -8.838
  556   2HB   TRP  88          1HB       TRP  88  14.423  -8.392  -8.392
  557    HD1  TRP  88           HD       TRP  88  14.639  -7.987  -7.987
  558    HE1  TRP  88          1HE       TRP  88  16.425  -6.572  -6.572
  559    HE3  TRP  88          3HE       TRP  88  18.218  -7.857  -7.857
  560    HZ2  TRP  88          2HZ       TRP  88  19.032  -5.516  -5.516
  561    HZ3  TRP  88          3HZ       TRP  88  20.342  -6.639  -6.639
  562    HH2  TRP  88           HH       TRP  88  20.754  -5.467  -5.467
  563    H    CYS  89           H        CYS  89  17.180 -10.692 -10.692
  564    HA   CYS  89           HA       CYS  89  18.624 -12.606 -12.606
  565   1HB   CYS  89          2HB       CYS  89  20.569 -11.916 -11.916
  566   2HB   CYS  89          1HB       CYS  89  19.110 -12.277 -12.277
  567    H    SER  90           H        SER  90  19.589 -12.424 -12.424
  568    HA   SER  90           HA       SER  90  20.513  -9.765  -9.765
  569   1HB   SER  90          2HB       SER  90  18.875 -11.001 -11.001
  570   2HB   SER  90          1HB       SER  90  20.091 -12.256 -12.256
  571    HG   SER  90           HG       SER  90  19.962  -9.669  -9.669
  572    H    THR  91           H        THR  91  21.994 -11.509 -11.509
  573    HA   THR  91           HA       THR  91  24.390 -12.007 -12.007
  574    HB   THR  91           HB       THR  91  25.040 -13.616 -13.616
  575    HG1  THR  91          1HG       THR  91  23.417 -14.274 -14.274
  576    H    LYS  92           H        LYS  92  23.452  -9.543  -9.543
  577    HA   LYS  92           HA       LYS  92  25.933  -8.663  -8.663
  578   1HB   LYS  92          2HB       LYS  92  25.107 -10.291 -10.291
  579   2HB   LYS  92          1HB       LYS  92  24.013  -8.972  -8.972
  580   1HG   LYS  92          2HG       LYS  92  26.092  -7.460  -7.460
  581   2HG   LYS  92          1HG       LYS  92  27.033  -8.953  -8.953
  582   1HD   LYS  92          2HD       LYS  92  25.371  -9.554  -9.554
  583   2HD   LYS  92          1HD       LYS  92  25.305  -7.797  -7.797
  584   1HE   LYS  92          2HE       LYS  92  27.986  -9.091  -9.091
  585   2HE   LYS  92          1HE       LYS  92  27.181  -9.190  -9.190
  586   1HZ   LYS  92          2HZ       LYS  92  26.815  -6.671  -6.671
  587   2HZ   LYS  92          1HZ       LYS  92  28.112  -6.815  -6.815
  588   3HZ   LYS  92          3HZ       LYS  92  28.328  -7.224  -7.224
  589    HA   PRO  93           HA       PRO  93  23.287  -5.091  -5.091
  590   1HB   PRO  93          2HB       PRO  93  25.249  -3.192  -3.192
  591   2HB   PRO  93          1HB       PRO  93  24.939  -4.250  -4.250
  592   1HG   PRO  93          2HG       PRO  93  27.168  -4.306  -4.306
  593   2HG   PRO  93          1HG       PRO  93  27.095  -4.929  -4.929
  594   1HD   PRO  93          2HD       PRO  93  26.870  -6.436  -6.436
  595   2HD   PRO  93          1HD       PRO  93  26.632  -7.030  -7.030
  596    H    ASP  94           H        ASP  94  22.866  -2.935  -2.935
  597    HA   ASP  94           HA       ASP  94  23.460  -3.070  -3.070
  598   1HB   ASP  94          2HB       ASP  94  20.943  -2.367  -2.367
  599   2HB   ASP  94          1HB       ASP  94  21.250  -1.689  -1.689
  600    H    ASP  95           H        ASP  95  24.594  -1.504  -1.504
  601    HA   ASP  95           HA       ASP  95  25.579   0.533   0.533
  602   1HB   ASP  95          2HB       ASP  95  25.249   0.501   0.501
  603   2HB   ASP  95          1HB       ASP  95  25.799   1.972   1.972
  604    H    VAL  96           H        VAL  96  24.686   2.129   2.129
  605    HA   VAL  96           HA       VAL  96  21.980   2.853   2.853
  606    HB   VAL  96           HB       VAL  96  22.597   4.785   4.785
  607    H    LEU  97           H        LEU  97  24.861   4.314   4.314
  608    HA   LEU  97           HA       LEU  97  23.414   6.548   6.548
  609   1HB   LEU  97          2HB       LEU  97  26.168   5.758   5.758
  610   2HB   LEU  97          1HB       LEU  97  25.860   6.161   6.161
  611    HG   LEU  97           HG       LEU  97  26.560   8.158   8.158
  612   1HD1  LEU  97          3HD1      LEU  97  24.672   8.131   8.131
  613   2HD1  LEU  97          2HD1      LEU  97  23.615   8.528   8.528
  614   3HD1  LEU  97          1HD1      LEU  97  24.951   9.599   9.599
  615   1HD2  LEU  97          3HD2      LEU  97  25.457   7.189   7.189
  616   2HD2  LEU  97          2HD2      LEU  97  25.466   8.936   8.936
  617   3HD2  LEU  97          1HD2      LEU  97  24.005   8.006   8.006
  618    H    ALA  98           H        ALA  98  24.681   3.469   3.469
  619    HA   ALA  98           HA       ALA  98  23.948   3.878   3.878
  620   1HB   ALA  98          3HB       ALA  98  25.550   2.097   2.097
  621   2HB   ALA  98          2HB       ALA  98  24.094   1.110   1.110
  622   3HB   ALA  98          1HB       ALA  98  24.820   1.803   1.803
  623    H    ALA  99           H        ALA  99  22.023   3.282   3.282
  624    HA   ALA  99           HA       ALA  99  19.786   2.514   2.514
  625   1HB   ALA  99          3HB       ALA  99  20.812   1.035   1.035
  626   2HB   ALA  99          2HB       ALA  99  19.062   1.164   1.164
  627   3HB   ALA  99          1HB       ALA  99  20.023   0.425   0.425
  628    H    CYS 100           H        CYS 100  18.070   3.756   3.756
  629    HA   CYS 100           HA       CYS 100  17.856   5.324   5.324
  630   1HB   CYS 100          2HB       CYS 100  18.431   6.655   6.655
  631   2HB   CYS 100          1HB       CYS 100  16.886   6.159   6.159
  632    H    CYS 101           H        CYS 101  15.803   4.373   4.373
  633    HA   CYS 101           HA       CYS 101  13.467   4.230   4.230
  634   1HB   CYS 101          2HB       CYS 101  13.918   3.673   3.673
  635   2HB   CYS 101          1HB       CYS 101  12.374   3.346   3.346
  636    H    MET 102           H        MET 102  12.067   2.230   2.230
  637    HA   MET 102           HA       MET 102  13.691  -0.237  -0.237
  638   1HB   MET 102          2HB       MET 102  12.066   0.839   0.839
  639   2HB   MET 102          1HB       MET 102  12.226  -0.903  -0.903
  640   1HG   MET 102          2HG       MET 102  14.803  -0.242  -0.242
  641   2HG   MET 102          1HG       MET 102  14.303   1.122   1.122
  642   1HE   MET 102          3HE       MET 102  13.997   1.185   1.185
  643   2HE   MET 102          2HE       MET 102  14.551  -0.067  -0.067
  644   3HE   MET 102          1HE       MET 102  15.660   0.591   0.591
  645    H    GLN 103           H        GLN 103  12.575  -2.139  -2.139
  646    HA   GLN 103           HA       GLN 103   9.709  -1.984  -1.984
  647   1HB   GLN 103          2HB       GLN 103   9.885  -2.681  -2.681
  648   2HB   GLN 103          1HB       GLN 103  10.975  -1.314  -1.314
  649   1HG   GLN 103          2HG       GLN 103  11.810  -4.237  -4.237
  650   2HG   GLN 103          1HG       GLN 103  12.024  -3.127  -3.127
  651    H    MET 104           H        MET 104   9.770  -4.566  -4.566
  652    HA   MET 104           HA       MET 104  11.191  -6.491  -6.491
  653   1HB   MET 104          2HB       MET 104   9.266  -7.458  -7.458
  654   2HB   MET 104          1HB       MET 104   9.955  -5.956  -5.956
  655   1HG   MET 104          2HG       MET 104   8.122  -4.769  -4.769
  656   2HG   MET 104          1HG       MET 104   7.361  -6.355  -6.355
  657   1HE   MET 104          1HE       MET 104   6.006  -7.318  -7.318
  658   2HE   MET 104          3HE       MET 104   5.398  -6.774  -6.774
  659   3HE   MET 104          2HE       MET 104   5.080  -5.824  -5.824
  660    H    THR 105           H        THR 105  10.412  -6.067  -6.067
  661    HA   THR 105           HA       THR 105   9.376  -8.716  -8.716
  662    HB   THR 105           HB       THR 105   7.845  -7.592  -7.592
  663    HG1  THR 105          1HG       THR 105   6.996  -5.656  -5.656
  664    H    ALA 106           H        ALA 106  11.881  -7.075  -7.075
  665    HA   ALA 106           HA       ALA 106  12.947  -8.253  -8.253
  666   1HB   ALA 106          2HB       ALA 106  11.374  -5.817  -5.817
  667   2HB   ALA 106          1HB       ALA 106  12.946  -6.018  -6.018
  668   3HB   ALA 106          3HB       ALA 106  11.706  -7.260  -7.260
  669    H    ALA 107           H        ALA 107  14.248  -7.966  -7.966
  670    HA   ALA 107           HA       ALA 107  15.516  -5.422  -5.422
  671   1HB   ALA 107          3HB       ALA 107  16.200  -8.181  -8.181
  672   2HB   ALA 107          2HB       ALA 107  17.041  -6.711  -6.711
  673   3HB   ALA 107          1HB       ALA 107  15.327  -6.911  -6.911
  674    H    ALA 108           H        ALA 108  17.366  -8.419  -8.419
  675    HA   ALA 108           HA       ALA 108  18.409  -7.853  -7.853
  676   1HB   ALA 108          1HB       ALA 108  19.916  -6.489  -6.489
  677   2HB   ALA 108          3HB       ALA 108  20.734  -6.999  -6.999
  678   3HB   ALA 108          2HB       ALA 108  19.414  -5.831  -5.831
  679    H    ASP 109           H        ASP 109  18.981  -9.173  -9.173
  680    HA   ASP 109           HA       ASP 109  20.507 -11.378 -11.378
  681   1HB   ASP 109          2HB       ASP 109  20.865 -10.001 -10.001
  682   2HB   ASP 109          1HB       ASP 109  21.305 -11.700 -11.700
  683    H    GLN 110           H        GLN 110  17.772 -11.073 -11.073
  684    HA   GLN 110           HA       GLN 110  15.860 -12.145 -12.145
  685   1HB   GLN 110          2HB       GLN 110  17.801 -14.147 -14.147
  686   2HB   GLN 110          1HB       GLN 110  16.058 -14.398 -14.398
  687   1HG   GLN 110          2HG       GLN 110  16.111 -13.890 -13.890
  688   2HG   GLN 110          1HG       GLN 110  17.827 -14.275 -14.275
  689    H    CYS 111           H        CYS 111  16.839 -10.070 -10.070
  690    HA   CYS 111           HA       CYS 111  15.878 -10.914 -10.914
  691   1HB   CYS 111          2HB       CYS 111  17.292  -8.329  -8.329
  692   2HB   CYS 111          1HB       CYS 111  16.989  -8.984  -8.984
  693    H    TRP 112           H        TRP 112  14.710  -8.996  -8.996
  694    HA   TRP 112           HA       TRP 112  12.864  -7.672  -7.672
  695   1HB   TRP 112          2HB       TRP 112  11.883  -8.970  -8.970
  696   2HB   TRP 112          1HB       TRP 112  10.934  -8.357  -8.357
  697    HD1  TRP 112           HD       TRP 112  12.066 -11.486 -11.486
  698    HE1  TRP 112          1HE       TRP 112  12.059 -13.372 -13.372
  699    HE3  TRP 112          3HE       TRP 112  11.636  -8.715  -8.715
  700    HZ2  TRP 112          2HZ       TRP 112  11.892 -13.667 -13.667
  701    HZ3  TRP 112          3HZ       TRP 112  11.556  -9.825  -9.825
  702    HH2  TRP 112           HH       TRP 112  11.683 -12.295 -12.295
  703    H    ASP 113           H        ASP 113  14.337  -5.874  -5.874
  704    HA   ASP 113           HA       ASP 113  13.287  -3.910  -3.910
  705   1HB   ASP 113          2HB       ASP 113  14.552  -5.888  -5.888
  706   2HB   ASP 113          1HB       ASP 113  15.252  -4.283  -4.283
  707    H    ASP 114           H        ASP 114  14.651  -2.098  -2.098
  708    HA   ASP 114           HA       ASP 114  16.376  -0.666  -0.666
  709   1HB   ASP 114          2HB       ASP 114  18.058  -3.090  -3.090
  710   2HB   ASP 114          1HB       ASP 114  18.628  -1.474  -1.474
  711    H    LEU 115           H        LEU 115  16.569   0.600   0.600
  712    HA   LEU 115           HA       LEU 115  17.354  -0.225  -0.225
  713   1HB   LEU 115          2HB       LEU 115  14.490   0.358   0.358
  714   2HB   LEU 115          1HB       LEU 115  15.170   1.146   1.146
  715    HG   LEU 115           HG       LEU 115  15.291  -1.840  -1.840
  716   1HD1  LEU 115          2HD1      LEU 115  13.021  -0.637  -0.637
  717   2HD1  LEU 115          1HD1      LEU 115  13.703  -0.546  -0.546
  718   3HD1  LEU 115          3HD1      LEU 115  13.466  -2.114  -2.114
  719   1HD2  LEU 115          2HD2      LEU 115  16.039  -0.178  -0.178
  720   2HD2  LEU 115          1HD2      LEU 115  17.154  -1.079  -1.079
  721   3HD2  LEU 115          3HD2      LEU 115  15.979  -1.935  -1.935
  722    HA   PRO 116           HA       PRO 116  18.587   4.020   4.020
  723   1HB   PRO 116          2HB       PRO 116  18.634   4.763   4.763
  724   2HB   PRO 116          1HB       PRO 116  19.798   3.649   3.649
  725   1HG   PRO 116          2HG       PRO 116  17.605   3.084   3.084
  726   2HG   PRO 116          1HG       PRO 116  19.055   2.136   2.136
  727   1HD   PRO 116          2HD       PRO 116  16.390   1.689   1.689
  728   2HD   PRO 116          1HD       PRO 116  17.859   0.771   0.771
  729    H    CYS 117           H        CYS 117  15.567   3.428   3.428
  730    HA   CYS 117           HA       CYS 117  13.596   4.688   4.688
  731   1HB   CYS 117          2HB       CYS 117  15.364   7.107   7.107
  732   2HB   CYS 117          1HB       CYS 117  13.611   7.185   7.185
  733    HA   PRO 118           HA       PRO 118  13.566   6.174   6.174
  734   1HB   PRO 118          2HB       PRO 118  15.855   5.995   5.995
  735   2HB   PRO 118          1HB       PRO 118  15.384   7.431   7.431
  736   1HG   PRO 118          2HG       PRO 118  17.482   5.429   5.429
  737   2HG   PRO 118          1HG       PRO 118  17.370   7.123   7.123
  738   1HD   PRO 118          2HD       PRO 118  16.780   4.856   4.856
  739   2HD   PRO 118          1HD       PRO 118  16.421   6.552   6.552
  740    H    ALA 119           H        ALA 119  12.459   4.102   4.102
  741    HA   ALA 119           HA       ALA 119  13.420   2.194   2.194
  742   1HB   ALA 119          1HB       ALA 119  13.862   1.590   1.590
  743   2HB   ALA 119          3HB       ALA 119  12.253   0.912   0.912
  744   3HB   ALA 119          2HB       ALA 119  13.591   0.386   0.386
  745    H    SER 120           H        SER 120  11.575   4.141   4.141
  746    HA   SER 120           HA       SER 120   9.012   4.130   4.130
  747   1HB   SER 120          2HB       SER 120   8.452   4.681   4.681
  748   2HB   SER 120          1HB       SER 120   9.853   5.554   5.554
  749    HG   SER 120           HG       SER 120  10.785   4.745   4.745
  750    H    HIS 121           H        HIS 121   8.243   2.142   2.142
  751    HA   HIS 121           HA       HIS 121   7.490   0.257   0.257
  752   1HB   HIS 121          2HB       HIS 121   8.391  -0.134  -0.134
  753   2HB   HIS 121          1HB       HIS 121   7.207  -1.256  -1.256
  754    HD1  HIS 121          1HD       HIS 121  10.764  -0.722  -0.722
  755    HD2  HIS 121          2HD       HIS 121   8.190  -2.323  -2.323
  756    HE1  HIS 121          1HE       HIS 121  12.203  -2.086  -2.086
  757    H    LYS 122           H        LYS 122   5.545  -1.158  -1.158
  758    HA   LYS 122           HA       LYS 122   3.262   0.438   0.438
  759   1HB   LYS 122          2HB       LYS 122   2.068  -1.497  -1.497
  760   2HB   LYS 122          1HB       LYS 122   3.115  -1.967  -1.967
  761   1HG   LYS 122          2HG       LYS 122   4.681  -2.974  -2.974
  762   2HG   LYS 122          1HG       LYS 122   4.228  -1.982  -1.982
  763   1HD   LYS 122          2HD       LYS 122   2.543  -3.383  -3.383
  764   2HD   LYS 122          1HD       LYS 122   2.075  -3.723  -3.723
  765   1HE   LYS 122          2HE       LYS 122   2.975  -5.775  -5.775
  766   2HE   LYS 122          1HE       LYS 122   4.453  -4.965  -4.965
  767   1HZ   LYS 122          3HZ       LYS 122   4.856  -4.346  -4.346
  768   2HZ   LYS 122          2HZ       LYS 122   3.468  -5.203  -5.203
  769   3HZ   LYS 122          1HZ       LYS 122   4.791  -6.029  -6.029
  770    H    SER 123           H        SER 123   1.586   0.195   0.195
  771    HA   SER 123           HA       SER 123   2.935   1.131   1.131
  772   1HB   SER 123          2HB       SER 123   2.083   3.129   3.129
  773   2HB   SER 123          1HB       SER 123   0.542   2.357   2.357
  774    HG   SER 123           HG       SER 123   1.598   2.759   2.759
  775    H    VAL 124           H        VAL 124   1.930   0.604   0.604
  776    HA   VAL 124           HA       VAL 124  -0.392  -1.217  -1.217
  777    HB   VAL 124           HB       VAL 124   1.965  -1.544  -1.544
  778    H    CYS 125           H        CYS 125  -2.050  -0.392  -0.392
  779    HA   CYS 125           HA       CYS 125  -1.465   1.376   1.376
  780   1HB   CYS 125          2HB       CYS 125  -3.730   1.484   1.484
  781   2HB   CYS 125          1HB       CYS 125  -3.677   2.441   2.441
  782    H    ALA 126           H        ALA 126  -2.428   1.024   1.024
  783    HA   ALA 126           HA       ALA 126  -4.544  -1.038  -1.038
  784   1HB   ALA 126          3HB       ALA 126  -2.331  -1.977  -1.977
  785   2HB   ALA 126          2HB       ALA 126  -2.227  -0.719  -0.719
  786   3HB   ALA 126          1HB       ALA 126  -3.507  -1.927  -1.927
  787    H    MET 127           H        MET 127  -6.192  -0.497  -0.497
  788    HA   MET 127           HA       MET 127  -5.862   1.936   1.936
  789   1HB   MET 127          2HB       MET 127  -8.528   1.396   1.396
  790   2HB   MET 127          1HB       MET 127  -7.820   2.920   2.920
  791   1HG   MET 127          2HG       MET 127  -6.573   1.451   1.451
  792   2HG   MET 127          1HG       MET 127  -8.070   2.331   2.331
  793   1HE   MET 127          2HE       MET 127  -4.852   2.137   2.137
  794   2HE   MET 127          1HE       MET 127  -4.454   3.744   3.744
  795   3HE   MET 127          3HE       MET 127  -3.946   3.248   3.248
  796    H    THR 128           H        THR 128  -7.609   2.150   2.150
  797    HA   THR 128           HA       THR 128  -8.895  -0.354  -0.354
  798    HB   THR 128           HB       THR 128  -6.732  -0.568  -0.568
  799    HG1  THR 128          1HG       THR 128  -7.481  -0.531  -0.531
  800    H    PHE 129           H        PHE 129 -10.119   0.066   0.066
  801    HA   PHE 129           HA       PHE 129 -11.071   2.846   2.846
  802   1HB   PHE 129          2HB       PHE 129 -13.429   2.013   2.013
  803   2HB   PHE 129          1HB       PHE 129 -12.652   1.802   1.802
  804    HD1  PHE 129          1HD       PHE 129 -13.742   0.075   0.075
  805    HD2  PHE 129          2HD       PHE 129 -12.135  -0.389  -0.389
  806    HE1  PHE 129          1HE       PHE 129 -14.164  -2.366  -2.366
  807    HE2  PHE 129          2HE       PHE 129 -12.557  -2.830  -2.830
  808    HZ   PHE 129           HZ       PHE 129 -13.572  -3.819  -3.819