*HEADER   POTASSIUM CHANNEL INHIBITOR             08-MAY-96   1BGK    
*TITLE    SEA ANEMONE TOXIN (BGK) WITH HIGH AFFINITY FOR VOLTAGE      
*TITLE   2 DEPENDENT POTASSIUM CHANNEL, NMR, 15 STRUCTURES            
*COMPND   MOL_ID: 1;                                                  
*COMPND  2 MOLECULE: BGK;                                             
*COMPND  3 CHAIN: NULL;                                               
*COMPND  4 SYNONYM: POTASSIUM CHANNEL TOXIN BGK;                      
*COMPND  5 ENGINEERED: YES                                            
*SOURCE   MOL_ID: 1;                                                  
*SOURCE  2 SYNTHETIC: YES;                                            
*SOURCE  3 ORGANISM_SCIENTIFIC: BUNODOSOMA GRANULIFERA;               
*SOURCE  4 ORGANISM_COMMON: SEA ANEMONE                               
*KEYWDS   NEUROTOXIN, POTASSIUM CHANNEL INHIBITOR                     
*EXPDTA   NMR, 15 STRUCTURES                                          
*AUTHOR   M.DAUPLAIS,A.LECOQ,J.SONG,J.COTTON,N.JAMIN,B.GILQUIN,       
*AUTHOR  2 C.ROUMESTAND,C.VITA,A.HARVEY,A.MENEZ                       
*REVDAT  1   27-JAN-97 1BGK    0                                      


assign (resid   1 and name HB   ) (resid   1 and name HA   )  3.15  0.79  0.78
assign (resid   1 and name HG*  ) (resid   1 and name HA   )  4.01  2.21  1.00
assign (resid   2 and name HB*  ) (resid   2 and name HA   )  2.74  0.94  0.69
assign (resid   2 and name HB3  ) (resid   2 and name HB2  )  1.78  0.44  0.45
assign (resid   2 and name HN   ) (resid   2 and name HB*  )  2.75  0.95  0.69
assign (resid   3 and name HB*  ) (resid   3 and name HA   )  2.37  0.57  0.59
assign (resid   3 and name HB*  ) (resid   3 and name HD*  )  3.21  1.41  0.81
assign (resid   3 and name HG*  ) (resid   3 and name HA   )  3.21  1.41  0.80
assign (resid   3 and name HG*  ) (resid   3 and name HD*  )  2.80  1.00  0.70
assign (resid   3 and name HG*  ) (resid   3 and name HB*  )  3.18  1.38  0.79
assign (resid   3 and name HG3  ) (resid   3 and name HG2  )  2.05  0.51  0.51
assign (resid   3 and name HE   ) (resid   3 and name HB*  )  3.97  2.17  0.99
assign (resid   3 and name HE   ) (resid   3 and name HG*  )  7.86  6.06  1.96
assign (resid   3 and name HN   ) (resid   3 and name HA   )  3.02  0.75  0.76
assign (resid   3 and name HN   ) (resid   3 and name HB*  )  3.45  1.65  0.86
assign (resid   3 and name HN   ) (resid   3 and name HG*  )  3.03  1.23  0.76
assign (resid   3 and name HN   ) (resid   3 and name HD*  )  4.54  2.74  1.13
assign (resid   4 and name HB*  ) (resid   4 and name HA   )  3.19  1.39  0.80
assign (resid   4 and name HB3  ) (resid   4 and name HB2  )  2.07  0.52  0.52
assign (resid   4 and name HN   ) (resid   4 and name HB*  )  2.71  0.91  0.68
assign (resid   5 and name HB3  ) (resid   5 and name HA   )  2.73  0.68  0.68
assign (resid   5 and name HB2  ) (resid   5 and name HA   )  2.86  0.71  0.72
assign (resid   5 and name HB2  ) (resid   5 and name HB3  )  1.96  0.49  0.49
assign (resid   5 and name HD1  ) (resid   5 and name HA   )  3.69  0.92  0.93
assign (resid   5 and name HD1  ) (resid   5 and name HB3  )  3.18  0.79  0.80
assign (resid   5 and name HD1  ) (resid   5 and name HB2  )  3.00  0.75  0.75
assign (resid   5 and name HE1  ) (resid   5 and name HB3  )  5.07  1.26  1.27
assign (resid   5 and name HE1  ) (resid   5 and name HB2  )  4.75  1.18  1.19
assign (resid   5 and name HE1  ) (resid   5 and name HD1  )  2.70  0.67  0.68
assign (resid   5 and name HE1  ) (resid   5 and name HZ2  )  2.99  0.75  0.75
assign (resid   5 and name HE3  ) (resid   5 and name HA   )  2.77  0.70  0.69
assign (resid   5 and name HE3  ) (resid   5 and name HB3  )  3.00  0.75  0.75
assign (resid   5 and name HE3  ) (resid   5 and name HB2  )  3.37  0.85  0.84
assign (resid   5 and name HE3  ) (resid   5 and name HZ3  )  2.70  0.68  0.67
assign (resid   5 and name HE3  ) (resid   5 and name HH2  )  3.84  0.96  0.96
assign (resid   5 and name HZ2  ) (resid   5 and name HH2  )  2.75  0.69  0.69
assign (resid   5 and name HZ3  ) (resid   5 and name HA   )  4.11  1.02  1.03
assign (resid   5 and name HN   ) (resid   5 and name HA   )  3.87  0.97  0.96
assign (resid   5 and name HN   ) (resid   5 and name HB3  )  3.11  0.78  0.77
assign (resid   5 and name HN   ) (resid   5 and name HB2  )  2.69  0.67  0.67
assign (resid   6 and name HB3  ) (resid   6 and name HA   )  2.63  0.66  0.66
assign (resid   6 and name HB2  ) (resid   6 and name HA   )  2.81  0.70  0.70
assign (resid   6 and name HB2  ) (resid   6 and name HB3  )  1.81  0.46  0.45
assign (resid   6 and name HD*  ) (resid   6 and name HA   )  2.54  0.74  0.64
assign (resid   6 and name HD*  ) (resid   6 and name HB3  )  2.78  0.98  0.69
assign (resid   6 and name HD*  ) (resid   6 and name HB2  )  2.81  1.01  0.70
assign (resid   6 and name HD*  ) (resid   6 and name HE*  )  2.74  0.94  0.68
assign (resid   6 and name HD*  ) (resid   6 and name HZ   )  3.23  1.43  0.81
assign (resid   6 and name HE*  ) (resid   6 and name HA   )  3.81  2.01  0.95
!assign (resid   6 and name HE*  ) (resid   6 and name HB3  )  3.55  1.75  0.89
!assign (resid   6 and name HE*  ) (resid   6 and name HB2  )  3.63  1.83  0.90
assign (resid   6 and name HN   ) (resid   6 and name HA   )  3.18  0.79  0.80
assign (resid   6 and name HN   ) (resid   6 and name HB3  )  2.79  0.70  0.70
assign (resid   6 and name HN   ) (resid   6 and name HB2  )  2.60  0.65  0.64
assign (resid   6 and name HN   ) (resid   6 and name HD*  )  3.72  1.92  0.93
assign (resid   7 and name HB*  ) (resid   7 and name HA   )  2.56  0.76  0.64
assign (resid   7 and name HB3  ) (resid   7 and name HB2  )  1.96  0.49  0.49
assign (resid   7 and name HG*  ) (resid   7 and name HA   )  3.19  1.39  0.79
assign (resid   7 and name HG*  ) (resid   7 and name HB*  )  3.17  1.37  0.80
assign (resid   7 and name HD*  ) (resid   7 and name HA   )  2.82  1.02  0.70
assign (resid   7 and name HD*  ) (resid   7 and name HB*  )  3.97  2.17  0.99
assign (resid   7 and name HN   ) (resid   7 and name HA   )  2.89  0.72  0.72
assign (resid   7 and name HN   ) (resid   7 and name HB*  )  2.95  1.15  0.73
assign (resid   8 and name HB*  ) (resid   8 and name HA   )  2.66  0.86  0.67
assign (resid   8 and name HB*  ) (resid   8 and name HG*  )  2.69  0.89  0.68
assign (resid   8 and name HB3  ) (resid   8 and name HB2  )  1.94  0.48  0.49
assign (resid   8 and name HG*  ) (resid   8 and name HA   )  3.07  1.27  0.76
assign (resid   8 and name HN   ) (resid   8 and name HA   )  2.71  0.68  0.68
assign (resid   8 and name HN   ) (resid   8 and name HB*  )  2.54  0.74  0.64
assign (resid   8 and name HN   ) (resid   8 and name HG*  )  3.31  1.51  0.82
assign (resid   9 and name HA   ) (resid   9 and name HB   )  2.53  0.63  0.63
assign (resid   9 and name HG2* ) (resid   9 and name HA   )  3.17  1.37  0.79
assign (resid   9 and name HG2* ) (resid   9 and name HB   )  2.88  1.08  0.71
assign (resid   9 and name HN   ) (resid   9 and name HA   )  2.74  0.69  0.68
assign (resid   9 and name HN   ) (resid   9 and name HB   )  2.87  0.71  0.72
assign (resid   9 and name HN   ) (resid   9 and name HG2* )  3.23  1.43  0.81
assign (resid  10 and name HB*  ) (resid  10 and name HA   )  2.64  0.84  0.66
assign (resid  10 and name HN   ) (resid  10 and name HA   )  2.73  0.68  0.68
assign (resid  10 and name HN   ) (resid  10 and name HB*  )  2.73  0.93  0.68
assign (resid  11 and name HB*  ) (resid  11 and name HA   )  3.69  1.89  0.92
assign (resid  11 and name HB3  ) (resid  11 and name HB2  )  1.97  0.50  0.49
assign (resid  11 and name HN   ) (resid  11 and name HB*  )  2.78  0.98  0.70
assign (resid  12 and name HB*  ) (resid  12 and name HA   )  2.42  0.62  0.60
assign (resid  12 and name HG*  ) (resid  12 and name HA   )  2.58  0.78  0.64
assign (resid  12 and name HG*  ) (resid  12 and name HB*  )  2.30  0.50  0.58
assign (resid  12 and name HN   ) (resid  12 and name HA   )  2.67  0.66  0.67
assign (resid  12 and name HN   ) (resid  12 and name HB*  )  2.52  0.72  0.63
assign (resid  12 and name HN   ) (resid  12 and name HG*  )  3.39  1.59  0.84
assign (resid  12 and name HN   ) (resid  12 and name HD*  )  4.15  2.35  1.04
assign (resid  13 and name HB*  ) (resid  13 and name HA   )  2.74  0.94  0.69
assign (resid  13 and name HD2  ) (resid  13 and name HA   )  3.22  0.81  0.80
assign (resid  13 and name HD2  ) (resid  13 and name HB*  )  3.21  1.41  0.80
assign (resid  13 and name HE1  ) (resid  13 and name HB*  )  5.43  3.63  1.35
assign (resid  13 and name HN   ) (resid  13 and name HA   )  2.81  0.71  0.70
assign (resid  13 and name HN   ) (resid  13 and name HB*  )  2.56  0.76  0.64
assign (resid  14 and name HB*  ) (resid  14 and name HA   )  2.80  1.00  0.70
assign (resid  14 and name HN   ) (resid  14 and name HA   )  2.84  0.71  0.71
assign (resid  14 and name HN   ) (resid  14 and name HB*  )  2.93  1.13  0.73
assign (resid  15 and name HB*  ) (resid  15 and name HA   )  2.64  0.84  0.65
assign (resid  15 and name HB3  ) (resid  15 and name HB2  )  1.92  0.48  0.48
assign (resid  15 and name HG*  ) (resid  15 and name HA   )  2.84  1.04  0.71
assign (resid  15 and name HG*  ) (resid  15 and name HB*  )  2.87  1.07  0.72
assign (resid  15 and name HG*  ) (resid  15 and name HE*  )  3.00  1.20  0.76
assign (resid  15 and name HD*  ) (resid  15 and name HE*  )  2.74  0.94  0.69
assign (resid  15 and name HN   ) (resid  15 and name HA   )  2.92  0.73  0.73
assign (resid  15 and name HN   ) (resid  15 and name HB*  )  2.37  0.57  0.59
assign (resid  15 and name HN   ) (resid  15 and name HG*  )  3.28  1.48  0.82
assign (resid  16 and name HB*  ) (resid  16 and name HA   )  2.45  0.65  0.62
assign (resid  16 and name HN   ) (resid  16 and name HA   )  2.88  0.72  0.72
assign (resid  16 and name HN   ) (resid  16 and name HB*  )  2.78  0.98  0.69
assign (resid  17 and name HB*  ) (resid  17 and name HA   )  2.72  0.92  0.68
assign (resid  17 and name HG   ) (resid  17 and name HA   )  2.89  0.72  0.73
assign (resid  17 and name HD*  ) (resid  17 and name HA   )  3.23  1.43  0.81
assign (resid  17 and name HD*  ) (resid  17 and name HB*  )  3.43  1.63  0.86
assign (resid  17 and name HD*  ) (resid  17 and name HG   )  2.80  1.00  0.70
assign (resid  17 and name HN   ) (resid  17 and name HA   )  2.86  0.72  0.71
assign (resid  17 and name HN   ) (resid  17 and name HB*  )  2.85  1.05  0.71
assign (resid  17 and name HN   ) (resid  17 and name HG   )  2.39  0.60  0.60
assign (resid  17 and name HN   ) (resid  17 and name HD*  )  3.94  2.14  0.98
assign (resid  18 and name HA1  ) (resid  18 and name HA2  )  1.93  0.48  0.48
assign (resid  18 and name HN   ) (resid  18 and name HA*  )  2.64  0.84  0.66
assign (resid  19 and name HB2  ) (resid  19 and name HA   )  2.59  0.65  0.65
assign (resid  19 and name HB3  ) (resid  19 and name HA   )  2.91  0.73  0.73
assign (resid  19 and name HB3  ) (resid  19 and name HB2  )  2.01  0.50  0.51
assign (resid  19 and name HD2* ) (resid  19 and name HB2  )  3.72  1.92  0.93
assign (resid  19 and name HD2* ) (resid  19 and name HB3  )  3.35  1.55  0.84
assign (resid  19 and name HD21 ) (resid  19 and name HD22 )  2.05  0.51  0.51
assign (resid  19 and name HN   ) (resid  19 and name HA   )  3.38  0.84  0.85
assign (resid  19 and name HN   ) (resid  19 and name HB2  )  2.92  0.73  0.73
assign (resid  19 and name HN   ) (resid  19 and name HB3  )  2.66  0.67  0.66
assign (resid  19 and name HN   ) (resid  19 and name HD2* )  3.98  2.18  0.99
assign (resid  20 and name HB*  ) (resid  20 and name HA   )  2.51  0.71  0.62
assign (resid  20 and name HN   ) (resid  20 and name HA   )  2.84  0.71  0.71
assign (resid  20 and name HN   ) (resid  20 and name HB*  )  2.73  0.93  0.68
assign (resid  21 and name HB*  ) (resid  21 and name HA   )  2.49  0.69  0.62
assign (resid  21 and name HG*  ) (resid  21 and name HA   )  3.19  1.39  0.80
assign (resid  21 and name HG*  ) (resid  21 and name HB*  )  3.58  1.78  0.90
assign (resid  21 and name HN   ) (resid  21 and name HB*  )  2.74  0.94  0.69
assign (resid  21 and name HN   ) (resid  21 and name HG*  )  4.02  2.22  1.01
assign (resid  22 and name HN   ) (resid  22 and name HG2* )  3.39  1.59  0.85
assign (resid  23 and name HB*  ) (resid  23 and name HA   )  2.50  0.70  0.63
assign (resid  23 and name HB3  ) (resid  23 and name HB2  )  2.09  0.52  0.53
assign (resid  23 and name HN   ) (resid  23 and name HA   )  3.61  0.90  0.90
assign (resid  23 and name HN   ) (resid  23 and name HB*  )  2.82  1.02  0.70
assign (resid  24 and name HB*  ) (resid  24 and name HA   )  2.76  0.96  0.69
assign (resid  24 and name HB*  ) (resid  24 and name HG*  )  2.51  0.71  0.63
assign (resid  24 and name HG*  ) (resid  24 and name HA   )  3.64  1.84  0.91
assign (resid  24 and name HE2* ) (resid  24 and name HG*  )  4.59  2.79  1.15
assign (resid  24 and name HE21 ) (resid  24 and name HE22 )  2.01  0.50  0.50
assign (resid  24 and name HN   ) (resid  24 and name HA   )  2.82  0.71  0.70
assign (resid  24 and name HN   ) (resid  24 and name HB*  )  2.67  0.87  0.67
assign (resid  24 and name HN   ) (resid  24 and name HG*  )  3.39  1.59  0.85
assign (resid  25 and name HB*  ) (resid  25 and name HA   )  2.71  0.91  0.67
assign (resid  25 and name HB3  ) (resid  25 and name HB2  )  1.96  0.49  0.49
assign (resid  25 and name HG*  ) (resid  25 and name HA   )  3.27  1.47  0.82
assign (resid  25 and name HG*  ) (resid  25 and name HB*  )  2.95  1.15  0.73
assign (resid  25 and name HG3  ) (resid  25 and name HG2  )  2.18  0.54  0.55
assign (resid  25 and name HN   ) (resid  25 and name HA   )  2.67  0.67  0.66
assign (resid  25 and name HN   ) (resid  25 and name HB*  )  2.58  0.78  0.65
assign (resid  25 and name HN   ) (resid  25 and name HG*  )  3.36  1.56  0.83
assign (resid  25 and name HN   ) (resid  25 and name HD*  )  4.28  2.48  1.07
assign (resid  26 and name HB*  ) (resid  26 and name HA   )  2.82  1.02  0.70
assign (resid  26 and name HD*  ) (resid  26 and name HA   )  2.85  1.05  0.71
assign (resid  26 and name HD*  ) (resid  26 and name HB*  )  2.70  0.90  0.67
assign (resid  26 and name HD*  ) (resid  26 and name HE*  )  3.12  1.32  0.79
assign (resid  26 and name HE*  ) (resid  26 and name HA   )  3.43  1.63  0.86
!assign (resid  26 and name HE*  ) (resid  26 and name HB*  )  3.54  1.74  0.88
assign (resid  26 and name HN   ) (resid  26 and name HA   )  3.14  0.78  0.79
assign (resid  26 and name HN   ) (resid  26 and name HB*  )  2.79  0.99  0.70
assign (resid  26 and name HN   ) (resid  26 and name HD*  )  3.41  1.61  0.85
assign (resid  27 and name HB*  ) (resid  27 and name HA   )  2.76  0.96  0.69
assign (resid  27 and name HB*  ) (resid  27 and name HG*  )  2.85  1.05  0.71
assign (resid  27 and name HG*  ) (resid  27 and name HA   )  3.18  1.38  0.79
assign (resid  27 and name HG*  ) (resid  27 and name HD*  )  3.04  1.24  0.76
assign (resid  27 and name HE   ) (resid  27 and name HB*  )  2.90  1.10  0.73
assign (resid  27 and name HE   ) (resid  27 and name HG*  )  3.32  1.52  0.83
assign (resid  27 and name HE   ) (resid  27 and name HD*  )  2.61  0.81  0.66
assign (resid  27 and name HE   ) (resid  27 and name HH2* )  3.12  1.32  0.78
assign (resid  27 and name HH2* ) (resid  27 and name HB*  )  3.72  1.92  0.94
assign (resid  27 and name HH2* ) (resid  27 and name HG*  )  4.31  2.51  1.08
assign (resid  27 and name HH2* ) (resid  27 and name HD*  )  3.15  1.35  0.78
assign (resid  27 and name HH21 ) (resid  27 and name HH22 )  2.01  0.51  0.50
assign (resid  27 and name HN   ) (resid  27 and name HA   )  2.84  0.71  0.71
assign (resid  27 and name HN   ) (resid  27 and name HB*  )  2.54  0.74  0.64
assign (resid  27 and name HN   ) (resid  27 and name HG*  )  2.97  1.17  0.74
assign (resid  27 and name HN   ) (resid  27 and name HD*  )  3.67  1.87  0.92
assign (resid  28 and name HB*  ) (resid  28 and name HA   )  2.72  0.92  0.69
assign (resid  28 and name HN   ) (resid  28 and name HA   )  2.77  0.69  0.69
assign (resid  28 and name HN   ) (resid  28 and name HB*  )  2.89  1.09  0.72
assign (resid  29 and name HB*  ) (resid  29 and name HA   )  3.40  1.60  0.86
assign (resid  29 and name HB3  ) (resid  29 and name HB2  )  2.04  0.51  0.51
assign (resid  29 and name HD2* ) (resid  29 and name HB*  )  2.89  1.09  0.72
assign (resid  29 and name HN   ) (resid  29 and name HB*  )  3.15  1.35  0.79
assign (resid  30 and name HB*  ) (resid  30 and name HA   )  2.66  0.86  0.66
assign (resid  30 and name HB3  ) (resid  30 and name HB2  )  1.94  0.48  0.49
assign (resid  30 and name HN   ) (resid  30 and name HA   )  3.21  0.80  0.81
assign (resid  30 and name HN   ) (resid  30 and name HB*  )  2.50  0.70  0.62
assign (resid  31 and name HB*  ) (resid  31 and name HA   )  2.70  0.90  0.68
assign (resid  31 and name HN   ) (resid  31 and name HA   )  2.87  0.72  0.71
assign (resid  31 and name HN   ) (resid  31 and name HB*  )  2.97  1.17  0.74
assign (resid  32 and name HB*  ) (resid  32 and name HA   )  2.36  0.56  0.59
assign (resid  32 and name HB3  ) (resid  32 and name HB2  )  1.90  0.47  0.48
assign (resid  32 and name HB*  ) (resid  32 and name HG*  )  3.17  1.37  0.79
assign (resid  32 and name HB*  ) (resid  32 and name HE*  )  3.39  1.59  0.85
assign (resid  32 and name HG*  ) (resid  32 and name HE*  )  3.58  1.78  0.90
assign (resid  32 and name HD*  ) (resid  32 and name HE*  )  3.32  1.52  0.83
assign (resid  32 and name HN   ) (resid  32 and name HA   )  2.92  0.73  0.73
assign (resid  32 and name HN   ) (resid  32 and name HB*  )  2.55  0.75  0.63
assign (resid  33 and name HA   ) (resid  33 and name HB   )  2.60  0.65  0.65
assign (resid  33 and name HG2* ) (resid  33 and name HA   )  2.85  1.05  0.71
assign (resid  33 and name HG2* ) (resid  33 and name HB   )  2.92  1.12  0.73
assign (resid  33 and name HN   ) (resid  33 and name HA   )  2.92  0.73  0.73
assign (resid  33 and name HN   ) (resid  33 and name HB   )  2.71  0.67  0.68
assign (resid  33 and name HN   ) (resid  33 and name HG2* )  3.80  2.00  0.95
assign (resid  34 and name HB2  ) (resid  34 and name HA   )  2.63  0.66  0.65
assign (resid  34 and name HB3  ) (resid  34 and name HA   )  2.81  0.70  0.70
assign (resid  34 and name HB3  ) (resid  34 and name HB2  )  1.97  0.49  0.50
assign (resid  34 and name HN   ) (resid  34 and name HA   )  3.08  0.77  0.76
assign (resid  34 and name HN   ) (resid  34 and name HB2  )  2.74  0.68  0.69
assign (resid  34 and name HN   ) (resid  34 and name HB3  )  2.53  0.63  0.63
assign (resid  35 and name HB*  ) (resid  35 and name HA   )  2.61  0.81  0.66
assign (resid  35 and name HG*  ) (resid  35 and name HA   )  2.62  0.82  0.66
assign (resid  35 and name HN   ) (resid  35 and name HA   )  2.26  0.57  0.56
assign (resid  35 and name HN   ) (resid  35 and name HB*  )  3.30  1.50  0.83
assign (resid  35 and name HN   ) (resid  35 and name HG*  )  2.97  1.17  0.74
assign (resid  36 and name HB3  ) (resid  36 and name HA   )  2.32  0.58  0.58
assign (resid  36 and name HB2  ) (resid  36 and name HA   )  2.30  0.57  0.58
assign (resid  36 and name HG   ) (resid  36 and name HA   )  2.68  0.67  0.68
assign (resid  36 and name HD*  ) (resid  36 and name HA   )  3.11  1.31  0.78
assign (resid  36 and name HD*  ) (resid  36 and name HB3  )  3.02  1.22  0.76
assign (resid  36 and name HD*  ) (resid  36 and name HB2  )  3.11  1.31  0.77
assign (resid  36 and name HD*  ) (resid  36 and name HG   )  2.94  1.14  0.74
assign (resid  36 and name HN   ) (resid  36 and name HA   )  3.06  0.77  0.76
assign (resid  36 and name HN   ) (resid  36 and name HB3  )  3.03  0.76  0.75
assign (resid  36 and name HN   ) (resid  36 and name HB2  )  2.60  0.65  0.65
assign (resid  36 and name HN   ) (resid  36 and name HG   )  2.65  0.66  0.67
assign (resid  36 and name HN   ) (resid  36 and name HD*  )  4.03  2.23  1.01
assign (resid  37 and name HB*  ) (resid  37 and name HA   )  2.60  0.80  0.65
assign (resid  37 and name HB3  ) (resid  37 and name HB2  )  2.00  0.50  0.50
assign (resid  37 and name HN   ) (resid  37 and name HA   )  3.16  0.79  0.79
assign (resid  37 and name HN   ) (resid  37 and name HB*  )  3.19  1.39  0.79
assign (resid   2 and name HN   ) (resid   1 and name HA   )  2.44  0.61  0.61
assign (resid   2 and name HN   ) (resid   1 and name HB   )  3.49  0.87  0.87
assign (resid   2 and name HN   ) (resid   1 and name HG*  )  5.03  3.23  1.26
assign (resid   3 and name HN   ) (resid   2 and name HA   )  3.45  0.86  0.86
assign (resid   3 and name HN   ) (resid   2 and name HB*  )  4.16  2.36  1.04
assign (resid   2 and name HN   ) (resid   3 and name HN   )  6.02  1.50  1.51
assign (resid   4 and name HN   ) (resid   3 and name HA   )  2.43  0.61  0.60
assign (resid   4 and name HN   ) (resid   3 and name HB*  )  2.71  0.91  0.68
assign (resid   4 and name HN   ) (resid   3 and name HG*  )  3.72  1.92  0.93
assign (resid   4 and name HN   ) (resid   3 and name HE   )  3.98  0.99  1.00
assign (resid   4 and name HN   ) (resid   3 and name HN   )  4.99  1.25  1.25
assign (resid   5 and name HD1  ) (resid   4 and name HA   )  3.33  0.83  0.84
assign (resid   6 and name HN   ) (resid   5 and name HA   )  5.02  1.25  1.26
assign (resid   6 and name HN   ) (resid   5 and name HB2  )  2.67  0.67  0.66
assign (resid   5 and name HN   ) (resid   6 and name HN   )  2.44  0.61  0.61
assign (resid   7 and name HN   ) (resid   6 and name HA   )  2.56  0.64  0.64
assign (resid   7 and name HN   ) (resid   6 and name HB3  )  2.58  0.65  0.64
assign (resid   7 and name HN   ) (resid   6 and name HB2  )  2.74  0.69  0.68
assign (resid   7 and name HN   ) (resid   6 and name HD*  )  3.53  1.73  0.89
assign (resid   7 and name HN   ) (resid   6 and name HN   )  4.70  1.17  1.18
assign (resid   8 and name HN   ) (resid   7 and name HA   )  2.31  0.58  0.57
assign (resid   8 and name HN   ) (resid   7 and name HB*  )  3.48  1.68  0.87
assign (resid   8 and name HN   ) (resid   7 and name HN   )  4.23  1.05  1.06
assign (resid   9 and name HN   ) (resid   8 and name HA   )  3.23  0.81  0.81
assign (resid   9 and name HN   ) (resid   8 and name HB*  )  2.88  1.08  0.72
assign (resid   9 and name HN   ) (resid   8 and name HG*  )  4.17  2.37  1.04
assign (resid   8 and name HN   ) (resid   9 and name HG2* )  4.78  2.98  1.19
assign (resid   8 and name HN   ) (resid   9 and name HN   )  3.12  0.78  0.78
assign (resid  10 and name HN   ) (resid   9 and name HA   )  3.26  0.82  0.81
assign (resid  10 and name HN   ) (resid   9 and name HB   )  3.06  0.77  0.76
assign (resid   9 and name HN   ) (resid  10 and name HA   )  4.01  1.00  1.00
assign (resid   9 and name HN   ) (resid  10 and name HN   )  2.81  0.70  0.70
assign (resid  11 and name HN   ) (resid  10 and name HA   )  3.61  0.90  0.90
assign (resid  11 and name HN   ) (resid  10 and name HB*  )  3.20  1.40  0.80
assign (resid  10 and name HN   ) (resid  11 and name HB*  )  4.42  2.62  1.10
assign (resid  11 and name HN   ) (resid  10 and name HN   )  2.56  0.64  0.64
assign (resid  12 and name HN   ) (resid  11 and name HB*  )  3.16  1.36  0.79
assign (resid  12 and name HN   ) (resid  11 and name HN   )  2.88  0.72  0.73
assign (resid  13 and name HN   ) (resid  12 and name HA   )  2.89  0.72  0.72
assign (resid  13 and name HN   ) (resid  12 and name HB*  )  2.80  1.00  0.70
assign (resid  12 and name HN   ) (resid  13 and name HB*  )  4.26  2.46  1.07
assign (resid  12 and name HN   ) (resid  13 and name HN   )  2.82  0.71  0.70
assign (resid  14 and name HN   ) (resid  13 and name HA   )  3.55  0.89  0.88
assign (resid  14 and name HB*  ) (resid  13 and name HB*  )  5.72  3.92  1.43
assign (resid  14 and name HN   ) (resid  13 and name HB*  )  2.84  1.04  0.71
assign (resid  14 and name HN   ) (resid  13 and name HD2  )  4.33  1.08  1.08
assign (resid  13 and name HN   ) (resid  14 and name HA   )  4.25  1.06  1.06
assign (resid  13 and name HN   ) (resid  14 and name HB*  )  4.59  2.79  1.15
assign (resid  14 and name HN   ) (resid  13 and name HN   )  2.83  0.71  0.71
assign (resid  15 and name HN   ) (resid  14 and name HA   )  3.55  0.88  0.89
assign (resid  14 and name HB*  ) (resid  15 and name HA   )  4.58  2.78  1.15
assign (resid  14 and name HB*  ) (resid  15 and name HB*  )  5.81  4.01  1.45
assign (resid  15 and name HN   ) (resid  14 and name HB*  )  3.34  1.54  0.84
assign (resid  15 and name HN   ) (resid  14 and name HN   )  2.91  0.73  0.72
assign (resid  16 and name HN   ) (resid  15 and name HA   )  5.09  1.27  1.27
assign (resid  16 and name HN   ) (resid  15 and name HB*  )  3.16  1.36  0.79
assign (resid  16 and name HN   ) (resid  15 and name HG*  )  4.13  2.33  1.04
assign (resid  15 and name HN   ) (resid  16 and name HB*  )  4.34  2.54  1.08
assign (resid  15 and name HN   ) (resid  16 and name HN   )  2.87  0.72  0.72
assign (resid  17 and name HN   ) (resid  16 and name HA   )  3.44  0.86  0.86
assign (resid  17 and name HD*  ) (resid  16 and name HB*  )  5.47  3.67  1.37
assign (resid  17 and name HN   ) (resid  16 and name HB*  )  3.12  1.32  0.78
assign (resid  16 and name HN   ) (resid  17 and name HD*  )  5.33  3.53  1.33
assign (resid  16 and name HN   ) (resid  17 and name HN   )  2.99  0.74  0.75
assign (resid  18 and name HN   ) (resid  17 and name HA   )  3.29  0.82  0.82
assign (resid  18 and name HN   ) (resid  17 and name HB*  )  4.03  2.23  1.01
assign (resid  17 and name HD*  ) (resid  18 and name HA*  )  4.59  2.79  1.15
assign (resid  18 and name HN   ) (resid  17 and name HD*  )  6.37  4.57  1.59
assign (resid  18 and name HN   ) (resid  17 and name HN   )  2.87  0.71  0.72
assign (resid  19 and name HN   ) (resid  18 and name HA*  )  3.60  1.80  0.90
assign (resid  18 and name HN   ) (resid  19 and name HB3  )  4.30  1.07  1.08
assign (resid  19 and name HN   ) (resid  18 and name HN   )  2.45  0.61  0.61
assign (resid  20 and name HN   ) (resid  19 and name HA   )  3.91  0.97  0.98
assign (resid  20 and name HN   ) (resid  19 and name HB2  )  3.11  0.78  0.77
assign (resid  20 and name HN   ) (resid  19 and name HB3  )  3.51  0.88  0.88
assign (resid  20 and name HN   ) (resid  19 and name HN   )  2.66  0.67  0.66
assign (resid  21 and name HN   ) (resid  20 and name HB*  )  3.32  1.52  0.83
!assign (resid  20 and name HN   ) (resid  21 and name HB*  )  3.89  2.09  0.98
assign (resid  20 and name HN   ) (resid  21 and name HN   )  2.69  0.67  0.67
assign (resid  22 and name HN   ) (resid  21 and name HA   )  2.92  0.73  0.73
assign (resid  22 and name HN   ) (resid  21 and name HB*  )  2.89  1.09  0.72
assign (resid  22 and name HG2* ) (resid  21 and name HB*  )  3.83  2.03  0.96
assign (resid  21 and name HN   ) (resid  22 and name HG2* )  4.04  2.24  1.01
assign (resid  21 and name HN   ) (resid  22 and name HN   )  2.89  0.72  0.73
assign (resid  23 and name HN   ) (resid  22 and name HG2* )  4.34  2.54  1.08
assign (resid  22 and name HN   ) (resid  23 and name HB*  )  3.47  1.67  0.86
assign (resid  23 and name HN   ) (resid  22 and name HN   )  2.65  0.66  0.66
assign (resid  24 and name HN   ) (resid  23 and name HA   )  2.65  0.66  0.66
assign (resid  24 and name HN   ) (resid  23 and name HB*  )  3.95  2.15  0.99
assign (resid  24 and name HN   ) (resid  23 and name HN   )  4.18  1.05  1.04
assign (resid  25 and name HN   ) (resid  24 and name HB*  )  3.16  1.36  0.80
assign (resid  25 and name HN   ) (resid  24 and name HG*  )  4.55  2.75  1.14
assign (resid  24 and name HN   ) (resid  25 and name HB*  )  4.27  2.47  1.07
assign (resid  24 and name HN   ) (resid  25 and name HN   )  2.87  0.72  0.72
assign (resid  26 and name HN   ) (resid  25 and name HA   )  3.26  0.82  0.81
assign (resid  26 and name HN   ) (resid  25 and name HB*  )  3.04  1.24  0.75
assign (resid  26 and name HD*  ) (resid  25 and name HB*  )  4.44  2.64  1.11
assign (resid  26 and name HN   ) (resid  25 and name HG*  )  3.66  1.86  0.92
assign (resid  26 and name HD*  ) (resid  25 and name HG*  )  4.41  2.61  1.10
assign (resid  26 and name HD*  ) (resid  25 and name HD*  )  5.41  3.61  1.35
assign (resid  25 and name HN   ) (resid  26 and name HB*  )  5.22  3.42  1.30
assign (resid  25 and name HN   ) (resid  26 and name HD*  )  5.17  3.37  1.30
assign (resid  25 and name HN   ) (resid  26 and name HN   )  3.02  0.75  0.76
assign (resid  27 and name HN   ) (resid  26 and name HB*  )  3.42  1.62  0.85
!assign (resid  26 and name HD*  ) (resid  27 and name HA   )  4.25  2.45  1.06
assign (resid  27 and name HN   ) (resid  26 and name HD*  )  4.62  2.82  1.16
!assign (resid  26 and name HE*  ) (resid  27 and name HA   )  4.39  2.59  1.10
assign (resid  27 and name HN   ) (resid  26 and name HN   )  2.90  0.72  0.73
assign (resid  28 and name HN   ) (resid  27 and name HA   )  3.52  0.88  0.88
assign (resid  28 and name HN   ) (resid  27 and name HB*  )  2.89  1.09  0.73
assign (resid  27 and name HN   ) (resid  28 and name HN   )  2.81  0.71  0.70
assign (resid  29 and name HN   ) (resid  28 and name HA   )  3.14  0.78  0.79
assign (resid  29 and name HD2* ) (resid  28 and name HB*  )  3.44  1.64  0.86
assign (resid  29 and name HN   ) (resid  28 and name HB*  )  3.06  1.26  0.76
assign (resid  28 and name HN   ) (resid  29 and name HD2* )  5.20  3.40  1.30
assign (resid  28 and name HN   ) (resid  29 and name HN   )  2.91  0.73  0.73
assign (resid  30 and name HA   ) (resid  29 and name HB*  )  4.80  3.00  1.20
assign (resid  30 and name HN   ) (resid  29 and name HD2* )  4.69  2.89  1.17
assign (resid  30 and name HN   ) (resid  29 and name HN   )  2.46  0.62  0.61
assign (resid  30 and name HA   ) (resid  31 and name HB*  )  4.65  2.85  1.16
assign (resid  31 and name HN   ) (resid  30 and name HA   )  3.02  0.76  0.75
assign (resid  31 and name HN   ) (resid  30 and name HB*  )  3.84  2.04  0.96
assign (resid  31 and name HN   ) (resid  30 and name HN   )  2.97  0.74  0.74
assign (resid  32 and name HN   ) (resid  31 and name HA   )  3.30  0.82  0.83
assign (resid  32 and name HN   ) (resid  31 and name HB*  )  3.68  1.88  0.92
assign (resid  31 and name HN   ) (resid  32 and name HB*  )  3.94  2.14  0.99
assign (resid  31 and name HN   ) (resid  32 and name HN   )  3.04  0.76  0.76
assign (resid  33 and name HN   ) (resid  32 and name HA   )  3.56  0.89  0.89
assign (resid  33 and name HN   ) (resid  32 and name HB*  )  2.74  0.94  0.68
assign (resid  32 and name HN   ) (resid  33 and name HB   )  3.97  1.00  0.99
assign (resid  33 and name HN   ) (resid  32 and name HN   )  2.71  0.67  0.68
assign (resid  34 and name HN   ) (resid  33 and name HA   )  2.98  0.74  0.75
assign (resid  34 and name HN   ) (resid  33 and name HB   )  3.04  0.76  0.76
assign (resid  33 and name HG2* ) (resid  34 and name HA   )  4.38  2.58  1.09
assign (resid  34 and name HN   ) (resid  33 and name HG2* )  4.07  2.27  1.01
assign (resid  33 and name HN   ) (resid  34 and name HN   )  2.97  0.74  0.74
assign (resid  35 and name HN   ) (resid  34 and name HA   )  3.57  0.89  0.89
assign (resid  35 and name HN   ) (resid  34 and name HB3  )  3.60  0.90  0.90
assign (resid  34 and name HN   ) (resid  35 and name HA   )  3.68  0.92  0.91
assign (resid  34 and name HN   ) (resid  35 and name HB*  )  4.68  2.88  1.17
assign (resid  34 and name HN   ) (resid  35 and name HG*  )  3.56  1.76  0.89
assign (resid  34 and name HN   ) (resid  35 and name HN   )  2.87  0.72  0.72
assign (resid  36 and name HN   ) (resid  35 and name HA   )  2.67  0.66  0.67
assign (resid  36 and name HN   ) (resid  35 and name HB*  )  3.97  2.17  0.99
assign (resid  36 and name HN   ) (resid  35 and name HG*  )  4.14  2.34  1.04
assign (resid  35 and name HN   ) (resid  36 and name HB3  )  4.77  1.19  1.20
assign (resid  35 and name HN   ) (resid  36 and name HB2  )  7.00  5.20  1.75
assign (resid  35 and name HN   ) (resid  36 and name HD*  )  6.53  4.73  1.64
assign (resid  36 and name HN   ) (resid  35 and name HN   )  2.83  0.71  0.70
assign (resid  37 and name HN   ) (resid  36 and name HA   )  3.03  0.76  0.76
assign (resid  37 and name HN   ) (resid  36 and name HB3  )  3.89  0.97  0.97
assign (resid  37 and name HN   ) (resid  36 and name HB2  )  3.91  0.98  0.98
assign (resid  37 and name HN   ) (resid  36 and name HG   )  3.51  0.88  0.88
assign (resid  37 and name HN   ) (resid  36 and name HD*  )  5.20  3.40  1.30
assign (resid  36 and name HN   ) (resid  37 and name HN   )  2.56  0.64  0.63
assign (resid   1 and name HG*  ) (resid   3 and name HD*  )  5.62  3.82  1.40
assign (resid   1 and name HG*  ) (resid  37 and name HB*  )  7.47  5.67  1.87
assign (resid   2 and name HB*  ) (resid  37 and name HB*  )  4.19  2.39  1.05
assign (resid   3 and name HB*  ) (resid  32 and name HA   )  4.85  3.05  1.21
assign (resid   3 and name HN   ) (resid   1 and name HG*  )  5.46  3.66  1.36
assign (resid   3 and name HN   ) (resid  31 and name HB*  )  4.61  2.81  1.15
assign (resid   3 and name HN   ) (resid  32 and name HN   )  4.42  1.11  1.10
assign (resid   4 and name HB*  ) (resid  30 and name HA   )  4.70  2.90  1.18
assign (resid   4 and name HN   ) (resid  32 and name HB*  )  3.30  1.50  0.83
assign (resid   4 and name HN   ) (resid  32 and name HN   )  4.04  1.01  1.01
assign (resid   5 and name HD1  ) (resid   3 and name HG*  )  4.46  2.66  1.12
assign (resid   5 and name HD1  ) (resid   3 and name HD*  )  4.77  2.97  1.19
assign (resid   5 and name HD1  ) (resid  25 and name HG*  )  4.14  2.34  1.03
assign (resid   5 and name HD1  ) (resid  28 and name HA   )  5.28  1.32  1.33
assign (resid   5 and name HD1  ) (resid  28 and name HB*  )  4.98  3.18  1.24
assign (resid   5 and name HD1  ) (resid  31 and name HB*  )  4.77  2.97  1.19
assign (resid   5 and name HE1  ) (resid   3 and name HG*  )  3.85  2.05  0.97
assign (resid   5 and name HE1  ) (resid   3 and name HD*  )  4.39  2.59  1.09
assign (resid   5 and name HE3  ) (resid   3 and name HD*  )  5.22  3.42  1.30
assign (resid   5 and name HZ2  ) (resid   3 and name HG*  )  4.36  2.56  1.09
assign (resid   5 and name HZ2  ) (resid   3 and name HD*  )  3.63  1.83  0.91
assign (resid   5 and name HZ2  ) (resid   1 and name HG*  )  5.49  3.69  1.37
assign (resid   5 and name HZ3  ) (resid   3 and name HD*  )  4.20  2.40  1.05
assign (resid   5 and name HH2  ) (resid   3 and name HD*  )  3.86  2.06  0.96
assign (resid   5 and name HN   ) (resid  10 and name HB*  )  4.59  2.79  1.14
assign (resid   5 and name HN   ) (resid  29 and name HB*  )  3.57  1.77  0.90
assign (resid   5 and name HN   ) (resid  30 and name HA   )  3.88  0.97  0.97
assign (resid   6 and name HA   ) (resid  10 and name HB*  )  3.98  2.18  0.99
assign (resid   6 and name HA   ) (resid  29 and name HB*  )  4.77  2.97  1.19
assign (resid   6 and name HD*  ) (resid  10 and name HB*  )  4.09  2.29  1.02
assign (resid   6 and name HD*  ) (resid  14 and name HB*  )  6.54  4.74  1.64
assign (resid   6 and name HD*  ) (resid  25 and name HG*  )  5.21  3.41  1.30
assign (resid   6 and name HD*  ) (resid  25 and name HD*  )  5.40  3.60  1.35
assign (resid   6 and name HD*  ) (resid  26 and name HA   )  4.23  2.43  1.05
assign (resid   6 and name HD*  ) (resid  29 and name HB*  )  3.84  2.04  0.96
assign (resid   6 and name HE*  ) (resid  10 and name HB*  )  3.96  2.16  0.99
assign (resid   6 and name HE*  ) (resid  25 and name HA   )  4.93  3.13  1.23
assign (resid   6 and name HE*  ) (resid  25 and name HB*  )  3.72  1.92  0.93
assign (resid   6 and name HE*  ) (resid  25 and name HG*  )  3.17  1.37  0.80
assign (resid   6 and name HE*  ) (resid  29 and name HA   )  5.06  3.26  1.27
assign (resid   6 and name HE*  ) (resid  29 and name HB*  )  3.52  1.72  0.88
assign (resid   6 and name HZ   ) (resid  25 and name HB*  )  4.72  2.92  1.18
assign (resid   6 and name HZ   ) (resid  25 and name HG*  )  3.36  1.56  0.84
assign (resid   6 and name HZ   ) (resid  25 and name HD*  )  3.36  1.56  0.84
assign (resid   6 and name HZ   ) (resid  26 and name HA   )  4.06  1.01  1.02
assign (resid   6 and name HZ   ) (resid  29 and name HB*  )  3.09  1.29  0.78
assign (resid   6 and name HN   ) (resid  29 and name HB*  )  3.53  1.73  0.88
assign (resid   8 and name HN   ) (resid  10 and name HN   )  4.10  1.03  1.02
assign (resid   9 and name HG2* ) (resid  32 and name HE*  )  4.42  2.62  1.11
assign (resid   9 and name HN   ) (resid   7 and name HA   )  4.21  1.05  1.05
assign (resid  10 and name HB*  ) (resid   6 and name HB3  )  3.45  1.65  0.87
assign (resid  10 and name HB*  ) (resid   6 and name HB2  )  3.47  1.67  0.87
assign (resid  10 and name HN   ) (resid   7 and name HB*  )  3.17  1.37  0.80
assign (resid  11 and name HB*  ) (resid   8 and name HA   )  2.73  0.93  0.68
assign (resid  11 and name HB*  ) (resid  33 and name HB   )  2.65  0.85  0.66
assign (resid  11 and name HB*  ) (resid  30 and name HA   )  4.37  2.57  1.09
assign (resid  11 and name HB*  ) (resid  30 and name HB*  )  4.13  2.33  1.03
assign (resid  11 and name HN   ) (resid   9 and name HA   )  3.64  0.91  0.91
assign (resid  11 and name HN   ) (resid  13 and name HN   )  3.70  0.92  0.93
assign (resid  11 and name HN   ) (resid   8 and name HA   )  3.18  0.79  0.80
assign (resid  11 and name HN   ) (resid  33 and name HG2* )  4.89  3.09  1.22
assign (resid  12 and name HN   ) (resid  10 and name HA   )  4.78  1.19  1.20
assign (resid  12 and name HN   ) (resid  14 and name HB*  )  4.83  3.03  1.21
assign (resid  12 and name HN   ) (resid  10 and name HN   )  3.90  0.98  0.97
assign (resid  12 and name HN   ) (resid  14 and name HN   )  4.22  1.05  1.06
assign (resid  12 and name HN   ) (resid   9 and name HG2* )  4.99  3.19  1.25
assign (resid  12 and name HN   ) (resid   8 and name HA   )  3.81  0.95  0.96
assign (resid  12 and name HN   ) (resid  33 and name HG2* )  4.06  2.26  1.01
assign (resid  13 and name HB*  ) (resid  10 and name HA   )  2.79  0.99  0.70
assign (resid  13 and name HD2  ) (resid  17 and name HD*  )  4.06  2.26  1.02
assign (resid  13 and name HE1  ) (resid  17 and name HG   )  4.50  1.13  1.12
assign (resid  13 and name HE1  ) (resid  17 and name HD*  )  4.20  2.40  1.05
assign (resid  13 and name HN   ) (resid  10 and name HA   )  3.47  0.87  0.87
assign (resid  14 and name HB*  ) (resid  11 and name HA   )  4.03  2.23  1.01
assign (resid  14 and name HB*  ) (resid  11 and name HB*  )  5.17  3.37  1.29
assign (resid  14 and name HB*  ) (resid  19 and name HB2  )  3.17  1.37  0.80
assign (resid  14 and name HB*  ) (resid  19 and name HB3  )  3.24  1.44  0.82
assign (resid  14 and name HB*  ) (resid  26 and name HA   )  5.24  3.44  1.31
assign (resid  14 and name HB*  ) (resid  30 and name HB*  )  5.63  3.83  1.41
assign (resid  14 and name HN   ) (resid  12 and name HA   )  4.88  1.22  1.22
assign (resid  14 and name HN   ) (resid  17 and name HD*  )  4.63  2.83  1.16
assign (resid  14 and name HN   ) (resid  10 and name HA   )  3.79  0.95  0.95
assign (resid  14 and name HN   ) (resid  10 and name HB*  )  4.72  2.92  1.18
assign (resid  14 and name HN   ) (resid  26 and name HE*  )  5.42  3.62  1.35
assign (resid  15 and name HB*  ) (resid  33 and name HA   )  2.99  1.19  0.75
assign (resid  15 and name HB*  ) (resid  34 and name HA   )  3.11  1.31  0.78
assign (resid  15 and name HB*  ) (resid  34 and name HB2  )  2.92  1.12  0.73
assign (resid  15 and name HG*  ) (resid  34 and name HA   )  3.69  1.89  0.92
assign (resid  15 and name HN   ) (resid  12 and name HA   )  3.20  0.80  0.80
assign (resid  15 and name HN   ) (resid  33 and name HG2* )  4.16  2.36  1.04
assign (resid  16 and name HN   ) (resid  12 and name HG*  )  3.25  1.45  0.81
assign (resid  16 and name HN   ) (resid  33 and name HG2* )  4.83  3.03  1.21
assign (resid  17 and name HB*  ) (resid  14 and name HA   )  2.97  1.17  0.74
assign (resid  17 and name HD*  ) (resid  14 and name HA   )  4.00  2.20  1.00
assign (resid  17 and name HD*  ) (resid  13 and name HB*  )  5.72  3.92  1.43
assign (resid  17 and name HN   ) (resid  14 and name HA   )  3.19  0.80  0.80
assign (resid  17 and name HN   ) (resid  14 and name HB*  )  4.90  3.10  1.23
assign (resid  18 and name HN   ) (resid  16 and name HA   )  3.86  0.96  0.97
assign (resid  18 and name HN   ) (resid  15 and name HA   )  6.07  1.52  1.52
assign (resid  19 and name HB2  ) (resid  23 and name HB*  )  2.47  0.67  0.62
assign (resid  19 and name HB2  ) (resid  14 and name HA   )  3.85  0.96  0.96
assign (resid  19 and name HB3  ) (resid  23 and name HB*  )  3.22  1.42  0.80
assign (resid  19 and name HB3  ) (resid  14 and name HA   )  3.33  0.83  0.83
assign (resid  19 and name HD2* ) (resid  17 and name HD*  )  4.58  2.78  1.14
assign (resid  19 and name HD2* ) (resid  14 and name HA   )  3.47  1.67  0.86
assign (resid  19 and name HD2* ) (resid  14 and name HB*  )  4.18  2.38  1.05
assign (resid  19 and name HD2* ) (resid  26 and name HA   )  4.30  2.50  1.07
assign (resid  19 and name HD2* ) (resid  17 and name HB*  )  4.04  2.24  1.01
assign (resid  19 and name HN   ) (resid  17 and name HB*  )  3.75  1.95  0.94
assign (resid  19 and name HN   ) (resid  17 and name HD*  )  5.27  3.47  1.32
assign (resid  19 and name HN   ) (resid  17 and name HN   )  3.92  0.98  0.98
assign (resid  19 and name HN   ) (resid  23 and name HB*  )  4.96  3.16  1.24
assign (resid  19 and name HN   ) (resid  14 and name HA   )  4.19  1.05  1.05
assign (resid  19 and name HN   ) (resid  14 and name HB*  )  4.41  2.61  1.11
assign (resid  20 and name HB*  ) (resid  34 and name HA   )  3.59  1.79  0.90
assign (resid  20 and name HN   ) (resid  22 and name HN   )  3.41  0.85  0.86
assign (resid  20 and name HN   ) (resid  17 and name HD*  )  4.23  2.43  1.06
assign (resid  20 and name HN   ) (resid  15 and name HA   )  3.21  0.80  0.80
assign (resid  20 and name HN   ) (resid  14 and name HB*  )  5.10  3.30  1.28
assign (resid  21 and name HG*  ) (resid  27 and name HB*  )  2.53  0.73  0.63
assign (resid  21 and name HN   ) (resid  19 and name HA   )  4.43  1.10  1.11
assign (resid  21 and name HN   ) (resid  36 and name HD*  )  4.41  2.61  1.10
assign (resid  22 and name HG2* ) (resid  19 and name HA   )  4.35  2.55  1.09
assign (resid  22 and name HN   ) (resid  19 and name HA   )  3.50  0.88  0.87
assign (resid  22 and name HN   ) (resid  27 and name HB*  )  4.20  2.40  1.05
!assign (resid  23 and name HN   ) (resid  20 and name HB*  )  4.27  2.47  1.07
assign (resid  23 and name HN   ) (resid  19 and name HA   )  3.78  0.95  0.94
assign (resid  23 and name HN   ) (resid  19 and name HB2  )  3.21  0.81  0.80
assign (resid  23 and name HN   ) (resid  27 and name HG*  )  3.94  2.14  0.99
assign (resid  24 and name HN   ) (resid  26 and name HN   )  4.48  1.12  1.12
!assign (resid  25 and name HG*  ) (resid  27 and name HD*  )  4.40  2.60  1.10
assign (resid  25 and name HG*  ) (resid   5 and name HB3  )  3.82  2.02  0.96
assign (resid  25 and name HG*  ) (resid   5 and name HB2  )  3.49  1.69  0.87
assign (resid  25 and name HN   ) (resid  23 and name HA   )  4.14  1.04  1.03
assign (resid  26 and name HB*  ) (resid  23 and name HA   )  4.00  2.20  1.00
!assign (resid  26 and name HD*  ) (resid  29 and name HA   )  4.26  2.46  1.06
assign (resid  26 and name HD*  ) (resid  23 and name HA   )  4.30  2.50  1.07
assign (resid  26 and name HD*  ) (resid  29 and name HB*  )  4.17  2.37  1.04
assign (resid  26 and name HD*  ) (resid  23 and name HB*  )  3.19  1.39  0.79
assign (resid  26 and name HD*  ) (resid  30 and name HB*  )  4.25  2.45  1.06
assign (resid  26 and name HD*  ) (resid  19 and name HB3  )  3.66  1.86  0.91
assign (resid  26 and name HD*  ) (resid  19 and name HD2* )  5.29  3.49  1.32
assign (resid  26 and name HD*  ) (resid  17 and name HD*  )  5.10  3.30  1.27
assign (resid  26 and name HD*  ) (resid  14 and name HB*  )  3.63  1.83  0.91
assign (resid  26 and name HE*  ) (resid  23 and name HB*  )  4.13  2.33  1.04
assign (resid  26 and name HE*  ) (resid  19 and name HB3  )  4.91  3.11  1.22
assign (resid  26 and name HE*  ) (resid  17 and name HD*  )  3.86  2.06  0.96
assign (resid  26 and name HE*  ) (resid  14 and name HB*  )  3.75  1.95  0.93
assign (resid  26 and name HN   ) (resid  24 and name HB*  )  5.94  4.14  1.49
assign (resid  26 and name HN   ) (resid  23 and name HB*  )  3.95  2.15  0.99
assign (resid  26 and name HN   ) (resid  14 and name HB*  )  5.51  3.71  1.38
assign (resid  27 and name HB*  ) (resid  24 and name HA   )  3.33  1.53  0.84
assign (resid  27 and name HG*  ) (resid  24 and name HA   )  3.59  1.79  0.90
assign (resid  27 and name HD*  ) (resid  24 and name HA   )  3.43  1.63  0.86
assign (resid  27 and name HE   ) (resid  36 and name HD*  )  4.14  2.34  1.03
assign (resid  27 and name HH2* ) (resid  21 and name HA   )  3.62  1.82  0.91
assign (resid  27 and name HH2* ) (resid  36 and name HD*  )  4.17  2.37  1.04
assign (resid  27 and name HN   ) (resid  29 and name HN   )  4.64  1.16  1.16
assign (resid  27 and name HN   ) (resid  24 and name HA   )  3.22  0.80  0.81
assign (resid  27 and name HN   ) (resid  23 and name HB*  )  4.71  2.91  1.18
assign (resid  27 and name HN   ) (resid  36 and name HD*  )  4.22  2.42  1.05
assign (resid  28 and name HB*  ) (resid  25 and name HA   )  3.62  1.82  0.90
assign (resid  28 and name HN   ) (resid  25 and name HA   )  3.21  0.80  0.80
assign (resid  29 and name HB*  ) (resid  26 and name HA   )  3.87  2.07  0.96
assign (resid  29 and name HB*  ) (resid   5 and name HB2  )  3.97  2.17  1.00
assign (resid  29 and name HD2* ) (resid  25 and name HA   )  3.42  1.62  0.85
assign (resid  29 and name HD2* ) (resid  25 and name HG*  )  3.42  1.62  0.86
assign (resid  29 and name HD2* ) (resid  25 and name HD*  )  3.80  2.00  0.95
assign (resid  30 and name HA   ) (resid  33 and name HG2* )  4.70  2.90  1.17
assign (resid  30 and name HB*  ) (resid  33 and name HB   )  2.70  0.90  0.67
assign (resid  30 and name HN   ) (resid  28 and name HN   )  4.16  1.04  1.04
assign (resid  30 and name HN   ) (resid  26 and name HB*  )  4.71  2.91  1.18
assign (resid  31 and name HB*  ) (resid  28 and name HA   )  3.65  1.85  0.91
assign (resid  31 and name HN   ) (resid  29 and name HN   )  4.13  1.03  1.03
assign (resid  31 and name HN   ) (resid  34 and name HB3  )  4.76  1.19  1.19
assign (resid  31 and name HN   ) (resid  36 and name HD*  )  4.81  3.01  1.20
assign (resid  32 and name HG*  ) (resid   4 and name HB*  )  3.28  1.48  0.82
assign (resid  32 and name HN   ) (resid  30 and name HA   )  3.99  1.00  1.00
assign (resid  32 and name HN   ) (resid   4 and name HB*  )  3.28  1.48  0.82
assign (resid  32 and name HN   ) (resid   3 and name HA   )  3.75  0.94  0.94
assign (resid  33 and name HB   ) (resid  30 and name HA   )  3.49  0.87  0.88
assign (resid  33 and name HG2* ) (resid  30 and name HB*  )  3.92  2.12  0.98
assign (resid  33 and name HG2* ) (resid  15 and name HA   )  4.35  2.55  1.08
assign (resid  33 and name HG2* ) (resid  15 and name HB*  )  3.12  1.32  0.78
assign (resid  33 and name HG2* ) (resid  15 and name HG*  )  4.32  2.52  1.08
assign (resid  33 and name HG2* ) (resid  12 and name HB*  )  3.96  2.16  0.99
assign (resid  33 and name HG2* ) (resid  11 and name HB*  )  3.45  1.65  0.87
assign (resid  33 and name HN   ) (resid  35 and name HN   )  4.05  1.01  1.02
assign (resid  33 and name HN   ) (resid  30 and name HA   )  4.21  1.06  1.05
assign (resid  33 and name HN   ) (resid  30 and name HB*  )  3.74  1.94  0.93
assign (resid  33 and name HN   ) (resid  11 and name HB*  )  3.75  1.95  0.94
assign (resid  33 and name HN   ) (resid   4 and name HB*  )  5.02  3.22  1.25
assign (resid  34 and name HB2  ) (resid  31 and name HA   )  3.05  0.76  0.77
assign (resid  34 and name HB3  ) (resid  31 and name HA   )  2.79  0.70  0.69
assign (resid  34 and name HN   ) (resid  32 and name HB*  )  5.59  3.79  1.39
assign (resid  34 and name HN   ) (resid  36 and name HG   )  3.75  0.94  0.93
assign (resid  34 and name HN   ) (resid  36 and name HD*  )  5.13  3.33  1.29
assign (resid  34 and name HN   ) (resid  32 and name HN   )  3.82  0.96  0.95
assign (resid  34 and name HN   ) (resid  30 and name HA   )  4.41  1.10  1.10
assign (resid  34 and name HN   ) (resid  30 and name HB*  )  4.68  2.88  1.17
assign (resid  34 and name HN   ) (resid  15 and name HB*  )  4.09  2.29  1.02
assign (resid  35 and name HN   ) (resid  33 and name HA   )  3.34  0.84  0.83
assign (resid  35 and name HN   ) (resid  33 and name HG2* )  5.18  3.38  1.29
assign (resid  35 and name HN   ) (resid  37 and name HN   )  3.80  0.95  0.95
assign (resid  36 and name HB3  ) (resid  31 and name HA   )  2.75  0.69  0.68
assign (resid  36 and name HB3  ) (resid  27 and name HG*  )  3.33  1.53  0.83
assign (resid  36 and name HB2  ) (resid  31 and name HA   )  2.67  0.67  0.67
assign (resid  36 and name HG   ) (resid  34 and name HB2  )  2.68  0.67  0.67
assign (resid  36 and name HG   ) (resid  34 and name HB3  )  2.62  0.66  0.65
assign (resid  36 and name HD*  ) (resid  34 and name HB2  )  3.67  1.87  0.91
assign (resid  36 and name HD*  ) (resid  34 and name HB3  )  3.61  1.81  0.91
assign (resid  36 and name HD*  ) (resid  31 and name HA   )  3.60  1.80  0.91
assign (resid  36 and name HD*  ) (resid  27 and name HA   )  3.62  1.82  0.90
assign (resid  36 and name HD*  ) (resid  27 and name HG*  )  4.19  2.39  1.05
assign (resid  36 and name HD*  ) (resid  20 and name HB*  )  4.84  3.04  1.21
assign (resid  36 and name HN   ) (resid  34 and name HB2  )  3.96  0.99  0.99
assign (resid  36 and name HN   ) (resid  34 and name HB3  )  3.62  0.91  0.90
assign (resid  36 and name HN   ) (resid  31 and name HA   )  3.25  0.82  0.81
assign (resid  37 and name HN   ) (resid  35 and name HA   )  3.05  0.77  0.76
assign (resid  37 and name HN   ) (resid  35 and name HB*  )  4.62  2.82  1.15
assign (resid  37 and name HN   ) (resid  35 and name HG*  )  4.02  2.22  1.01
assign (resid  37 and name HN   ) (resid  32 and name HB*  )  4.87  3.07  1.22
assign (resid   2 and name SG   ) (resid  37 and name SG   )  2.10  0.10  0.00
assign (resid   2 and name SG   ) (resid  37 and name CB   )  3.10  0.10  0.00
assign (resid   2 and name CB   ) (resid  37 and name SG   )  3.10  0.10  0.00
assign (resid  11 and name SG   ) (resid  30 and name SG   )  2.10  0.10  0.00
assign (resid  11 and name SG   ) (resid  30 and name CB   )  3.10  0.10  0.00
assign (resid  11 and name CB   ) (resid  30 and name SG   )  3.10  0.10  0.00
assign (resid  20 and name SG   ) (resid  34 and name SG   )  2.10  0.10  0.00
assign (resid  20 and name SG   ) (resid  34 and name CB   )  3.10  0.10  0.00
assign (resid  20 and name CB   ) (resid  34 and name SG   )  3.10  0.10  0.00

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    VAL   1           HN2      VAL   1 -14.578  -0.260   2.401
    2   2H    VAL   1           HN       VAL   1 -15.668   0.378   3.539
    3   3H    VAL   1           HN3      VAL   1 -14.958   1.397   2.387
    4    HA   VAL   1           HA       VAL   1 -13.744   1.840   4.303
    5    HB   VAL   1           HB       VAL   1 -14.717  -0.134   5.529
    6   1HG1  VAL   1           HG12     VAL   1 -14.037  -1.770   3.707
    7   2HG1  VAL   1           HG13     VAL   1 -12.388  -1.646   4.322
    8   3HG1  VAL   1           HG11     VAL   1 -13.668  -2.287   5.353
    9   1HG2  VAL   1           HG21     VAL   1 -12.215   1.159   5.850
   10   2HG2  VAL   1           HG22     VAL   1 -13.167   0.355   7.097
   11   3HG2  VAL   1           HG23     VAL   1 -11.939  -0.545   6.207
   12    H    CYS   2           HN       CYS   2 -11.594   2.316   3.975
   13    HA   CYS   2           HA       CYS   2 -10.288   1.151   1.645
   14   1HB   CYS   2           HB2      CYS   2  -8.425   2.708   2.250
   15   2HB   CYS   2           HB3      CYS   2  -9.983   3.522   2.114
   16    H    ARG   3           HN       ARG   3  -7.799   0.618   2.025
   17    HA   ARG   3           HA       ARG   3  -6.575  -0.388   4.233
   18   1HB   ARG   3           HB2      ARG   3  -7.261  -2.872   4.153
   19   2HB   ARG   3           HB3      ARG   3  -8.387  -1.767   4.941
   20   1HG   ARG   3           HG2      ARG   3  -9.998  -2.291   3.470
   21   2HG   ARG   3           HG3      ARG   3  -8.956  -1.829   2.125
   22   1HD   ARG   3           HD2      ARG   3  -9.762  -4.252   2.114
   23   2HD   ARG   3           HD3      ARG   3  -8.022  -4.022   1.964
   24    HE   ARG   3           HE       ARG   3  -8.630  -4.294   4.727
   25   1HH1  ARG   3           HH12     ARG   3  -8.295  -6.017   1.767
   26   2HH1  ARG   3           HH11     ARG   3  -8.201  -7.570   2.526
   27   1HH2  ARG   3           HH22     ARG   3  -8.672  -6.332   5.730
   28   2HH2  ARG   3           HH21     ARG   3  -8.414  -7.749   4.768
   29    H    ASP   4           HN       ASP   4  -5.151  -2.472   3.617
   30    HA   ASP   4           HA       ASP   4  -3.905  -1.847   1.111
   31   1HB   ASP   4           HB2      ASP   4  -2.646  -3.990   1.440
   32   2HB   ASP   4           HB3      ASP   4  -2.627  -2.992   2.894
   33    H    TRP   5           HN       TRP   5  -3.591  -4.188  -0.379
   34    HA   TRP   5           HA       TRP   5  -6.274  -5.362  -0.681
   35   1HB   TRP   5           HB2      TRP   5  -5.233  -3.229  -2.465
   36   2HB   TRP   5           HB3      TRP   5  -5.937  -4.629  -3.290
   37    HD1  TRP   5           HD1      TRP   5  -6.974  -1.480  -1.766
   38    HE1  TRP   5           HE1      TRP   5  -9.489  -1.489  -1.227
   39    HE3  TRP   5           HE3      TRP   5  -7.947  -6.457  -2.256
   40    HZ2  TRP   5           HZ2      TRP   5 -11.648  -3.372  -1.027
   41    HZ3  TRP   5           HZ3      TRP   5 -10.234  -7.335  -1.886
   42    HH2  TRP   5           HH2      TRP   5 -12.082  -5.806  -1.274
   43    H    PHE   6           HN       PHE   6  -2.820  -5.176  -1.768
   44    HA   PHE   6           HA       PHE   6  -3.075  -7.727  -3.186
   45   1HB   PHE   6           HB2      PHE   6  -0.676  -6.167  -2.171
   46   2HB   PHE   6           HB3      PHE   6  -0.611  -7.474  -3.355
   47    HD1  PHE   6           HD2      PHE   6  -3.435  -6.248  -4.500
   48    HD2  PHE   6           HD1      PHE   6   0.569  -4.841  -3.840
   49    HE1  PHE   6           HE2      PHE   6  -3.736  -4.587  -6.257
   50    HE2  PHE   6           HE1      PHE   6   0.298  -3.177  -5.585
   51    HZ   PHE   6           HZ       PHE   6  -1.865  -3.030  -6.818
   52    H    LYS   7           HN       LYS   7  -0.337  -8.427  -1.728
   53    HA   LYS   7           HA       LYS   7  -1.597  -9.687   0.617
   54   1HB   LYS   7           HB2      LYS   7   0.529 -10.430  -0.971
   55   2HB   LYS   7           HB3      LYS   7   1.385  -9.619   0.341
   56   1HG   LYS   7           HG2      LYS   7  -0.763 -11.583   1.038
   57   2HG   LYS   7           HG3      LYS   7   0.807 -12.197   0.518
   58   1HD   LYS   7           HD2      LYS   7   1.828 -10.590   2.239
   59   2HD   LYS   7           HD3      LYS   7   0.195 -10.429   2.889
   60   1HE   LYS   7           HE2      LYS   7   0.964 -13.217   2.416
   61   2HE   LYS   7           HE3      LYS   7   1.999 -12.405   3.589
   62   1HZ   LYS   7           HZ2      LYS   7  -0.406 -11.558   4.357
   63   2HZ   LYS   7           HZ3      LYS   7  -0.809 -13.100   3.767
   64   3HZ   LYS   7           HZ1      LYS   7   0.349 -12.943   4.993
   65    H    GLU   8           HN       GLU   8  -1.135  -8.853   2.813
   66    HA   GLU   8           HA       GLU   8  -0.829  -6.066   3.073
   67   1HB   GLU   8           HB2      GLU   8   0.019  -8.194   5.058
   68   2HB   GLU   8           HB3      GLU   8  -0.261  -6.493   5.436
   69   1HG   GLU   8           HG2      GLU   8  -2.608  -6.746   4.599
   70   2HG   GLU   8           HG3      GLU   8  -2.310  -8.475   4.413
   71    H    THR   9           HN       THR   9   1.683  -8.359   2.314
   72    HA   THR   9           HA       THR   9   3.726  -6.457   3.231
   73    HB   THR   9           HB       THR   9   5.286  -8.294   2.440
   74    HG1  THR   9           HG1      THR   9   4.432  -9.990   1.482
   75   1HG2  THR   9           HG23     THR   9   3.403  -8.103   4.589
   76   2HG2  THR   9           HG21     THR   9   3.700  -9.806   4.230
   77   3HG2  THR   9           HG22     THR   9   5.053  -8.737   4.623
   78    H    ALA  10           HN       ALA  10   2.251  -7.504   0.204
   79    HA   ALA  10           HA       ALA  10   4.088  -6.487  -1.703
   80   1HB   ALA  10           HB3      ALA  10   1.060  -6.254  -1.569
   81   2HB   ALA  10           HB1      ALA  10   1.970  -5.717  -2.975
   82   3HB   ALA  10           HB2      ALA  10   1.964  -7.427  -2.528
   83    H    CYS  11           HN       CYS  11   1.712  -5.039   0.330
   84    HA   CYS  11           HA       CYS  11   1.936  -2.303  -0.426
   85   1HB   CYS  11           HB2      CYS  11   0.971  -3.646   2.138
   86   2HB   CYS  11           HB3      CYS  11   0.507  -2.035   1.547
   87    H    ARG  12           HN       ARG  12   3.203  -3.900   2.542
   88    HA   ARG  12           HA       ARG  12   4.759  -1.786   3.515
   89   1HB   ARG  12           HB2      ARG  12   4.787  -3.557   4.968
   90   2HB   ARG  12           HB3      ARG  12   4.887  -4.754   3.676
   91   1HG   ARG  12           HG2      ARG  12   7.177  -4.615   3.528
   92   2HG   ARG  12           HG3      ARG  12   7.221  -2.932   4.062
   93   1HD   ARG  12           HD2      ARG  12   7.731  -3.642   6.133
   94   2HD   ARG  12           HD3      ARG  12   6.144  -4.404   6.218
   95    HE   ARG  12           HE       ARG  12   8.431  -5.886   5.004
   96   1HH1  ARG  12           HH12     ARG  12   6.944  -7.967   5.047
   97   2HH1  ARG  12           HH11     ARG  12   6.635  -8.489   6.670
   98   1HH2  ARG  12           HH22     ARG  12   7.604  -5.485   8.103
   99   2HH2  ARG  12           HH21     ARG  12   7.009  -7.084   8.399
  100    H    HIS  13           HN       HIS  13   5.379  -3.750   0.687
  101    HA   HIS  13           HA       HIS  13   8.185  -3.075   0.490
  102   1HB   HIS  13           HB2      HIS  13   7.023  -4.892  -0.872
  103   2HB   HIS  13           HB3      HIS  13   6.209  -3.615  -1.774
  104    HD1  HIS  13           HD1      HIS  13   7.353  -3.581  -4.000
  105    HD2  HIS  13           HD2      HIS  13  10.088  -3.786  -0.859
  106    HE1  HIS  13           HE1      HIS  13   9.651  -3.383  -5.039
  107    H    ALA  14           HN       ALA  14   5.260  -1.874  -1.098
  108    HA   ALA  14           HA       ALA  14   6.403   0.475  -2.248
  109   1HB   ALA  14           HB3      ALA  14   3.642  -0.464  -1.576
  110   2HB   ALA  14           HB1      ALA  14   3.871   1.212  -2.080
  111   3HB   ALA  14           HB2      ALA  14   4.351  -0.107  -3.152
  112    H    LYS  15           HN       LYS  15   5.518  -0.132   1.112
  113    HA   LYS  15           HA       LYS  15   5.197   2.713   1.740
  114   1HB   LYS  15           HB2      LYS  15   4.207   1.536   3.511
  115   2HB   LYS  15           HB3      LYS  15   5.312   0.170   3.328
  116   1HG   LYS  15           HG2      LYS  15   7.099   1.321   4.388
  117   2HG   LYS  15           HG3      LYS  15   6.218   2.851   4.373
  118   1HD   LYS  15           HD2      LYS  15   5.082   2.325   6.258
  119   2HD   LYS  15           HD3      LYS  15   4.762   0.679   5.705
  120   1HE   LYS  15           HE2      LYS  15   6.175   0.284   7.515
  121   2HE   LYS  15           HE3      LYS  15   7.321   0.321   6.174
  122   1HZ   LYS  15           HZ1      LYS  15   7.421   2.825   6.701
  123   2HZ   LYS  15           HZ2      LYS  15   6.785   2.376   8.212
  124   3HZ   LYS  15           HZ3      LYS  15   8.276   1.748   7.689
  125    H    SER  16           HN       SER  16   7.807   0.202   2.166
  126    HA   SER  16           HA       SER  16   9.713   2.282   3.042
  127   1HB   SER  16           HB2      SER  16   9.402  -0.196   3.881
  128   2HB   SER  16           HB3      SER  16  10.388  -0.551   2.468
  129    HG   SER  16           HG       SER  16  11.704   1.329   3.442
  130    H    LEU  17           HN       LEU  17   8.645   1.548   0.007
  131    HA   LEU  17           HA       LEU  17  11.443   1.530  -1.001
  132   1HB   LEU  17           HB2      LEU  17  10.848   0.083  -2.695
  133   2HB   LEU  17           HB3      LEU  17   9.760  -0.408  -1.409
  134    HG   LEU  17           HG       LEU  17   8.091   1.239  -2.470
  135   1HD1  LEU  17           HD13     LEU  17  10.435   1.405  -4.176
  136   2HD1  LEU  17           HD11     LEU  17   9.029   0.897  -5.119
  137   3HD1  LEU  17           HD12     LEU  17   8.986   2.410  -4.202
  138   1HD2  LEU  17           HD22     LEU  17   8.608  -1.419  -2.541
  139   2HD2  LEU  17           HD23     LEU  17   7.217  -0.745  -3.374
  140   3HD2  LEU  17           HD21     LEU  17   8.708  -1.069  -4.265
  141    H    GLY  18           HN       GLY  18   8.338   3.238  -1.506
  142   1HA   GLY  18           HA1      GLY  18   9.242   5.712  -1.963
  143   2HA   GLY  18           HA2      GLY  18   9.783   4.945  -3.459
  144    H    ASN  19           HN       ASN  19   7.448   3.131  -3.439
  145    HA   ASN  19           HA       ASN  19   5.614   4.712  -5.014
  146   1HB   ASN  19           HB2      ASN  19   4.821   2.089  -3.968
  147   2HB   ASN  19           HB3      ASN  19   4.692   2.763  -5.531
  148   1HD2  ASN  19           HD22     ASN  19   7.325   0.016  -5.302
  149   2HD2  ASN  19           HD21     ASN  19   5.790   0.132  -4.579
  150    H    CYS  20           HN       CYS  20   5.885   4.207  -1.648
  151    HA   CYS  20           HA       CYS  20   3.467   3.583  -0.560
  152   1HB   CYS  20           HB2      CYS  20   4.695   4.426   1.176
  153   2HB   CYS  20           HB3      CYS  20   5.441   5.682   0.168
  154    H    ARG  21           HN       ARG  21   4.195   6.752  -1.980
  155    HA   ARG  21           HA       ARG  21   1.241   7.145  -2.383
  156   1HB   ARG  21           HB2      ARG  21   3.344   8.870  -1.274
  157   2HB   ARG  21           HB3      ARG  21   2.140   9.646  -2.313
  158   1HG   ARG  21           HG2      ARG  21   0.388   8.319  -0.928
  159   2HG   ARG  21           HG3      ARG  21   1.673   8.111   0.250
  160   1HD   ARG  21           HD2      ARG  21  -0.051  10.277   0.151
  161   2HD   ARG  21           HD3      ARG  21   1.492  10.245   0.994
  162    HE   ARG  21           HE       ARG  21   1.142  11.302  -1.783
  163   1HH1  ARG  21           HH22     ARG  21   3.930  10.613  -0.782
  164   2HH1  ARG  21           HH21     ARG  21   4.471  12.152  -0.201
  165   1HH2  ARG  21           HH12     ARG  21   1.295  13.541  -0.137
  166   2HH2  ARG  21           HH11     ARG  21   2.979  13.810   0.165
  167    H    THR  22           HN       THR  22   4.036   6.598  -4.031
  168    HA   THR  22           HA       THR  22   3.477   8.557  -6.190
  169    HB   THR  22           HB       THR  22   5.658   8.246  -6.922
  170    HG1  THR  22           HG1      THR  22   5.500   6.035  -7.287
  171   1HG2  THR  22           HG23     THR  22   5.650   7.547  -3.984
  172   2HG2  THR  22           HG21     THR  22   7.124   7.894  -4.889
  173   3HG2  THR  22           HG22     THR  22   5.883   9.135  -4.716
  174    H    SER  23           HN       SER  23   2.699   5.346  -5.331
  175    HA   SER  23           HA       SER  23   2.185   4.745  -8.212
  176   1HB   SER  23           HB2      SER  23   3.861   3.236  -7.260
  177   2HB   SER  23           HB3      SER  23   2.862   2.973  -5.847
  178    HG   SER  23           HG       SER  23   2.569   2.054  -8.499
  179    H    GLN  24           HN       GLN  24  -0.027   3.949  -8.605
  180    HA   GLN  24           HA       GLN  24  -1.896   5.023  -6.692
  181   1HB   GLN  24           HB2      GLN  24  -2.271   3.501  -9.254
  182   2HB   GLN  24           HB3      GLN  24  -3.634   3.980  -8.243
  183   1HG   GLN  24           HG2      GLN  24  -1.715   6.152  -8.683
  184   2HG   GLN  24           HG3      GLN  24  -2.459   5.570 -10.173
  185   1HE2  GLN  24           HE22     GLN  24  -5.807   6.462  -9.086
  186   2HE2  GLN  24           HE21     GLN  24  -4.988   5.233  -9.922
  187    H    LYS  25           HN       LYS  25  -1.893   1.565  -7.842
  188    HA   LYS  25           HA       LYS  25  -3.577   0.753  -5.702
  189   1HB   LYS  25           HB2      LYS  25  -2.259  -0.510  -7.806
  190   2HB   LYS  25           HB3      LYS  25  -1.550  -1.246  -6.364
  191   1HG   LYS  25           HG2      LYS  25  -3.498  -2.246  -5.739
  192   2HG   LYS  25           HG3      LYS  25  -4.480  -0.889  -6.274
  193   1HD   LYS  25           HD2      LYS  25  -3.174  -2.880  -8.151
  194   2HD   LYS  25           HD3      LYS  25  -4.864  -2.943  -7.647
  195   1HE   LYS  25           HE2      LYS  25  -5.056  -0.540  -8.512
  196   2HE   LYS  25           HE3      LYS  25  -3.497  -0.809  -9.288
  197   1HZ   LYS  25           HZ2      LYS  25  -4.749  -2.985 -10.069
  198   2HZ   LYS  25           HZ3      LYS  25  -6.102  -1.969  -9.898
  199   3HZ   LYS  25           HZ1      LYS  25  -4.842  -1.529 -10.940
  200    H    TYR  26           HN       TYR  26  -0.113   0.763  -5.980
  201    HA   TYR  26           HA       TYR  26   0.889  -0.226  -3.560
  202   1HB   TYR  26           HB2      TYR  26   1.524   1.678  -5.676
  203   2HB   TYR  26           HB3      TYR  26   2.579   1.710  -4.256
  204    HD1  TYR  26           HD2      TYR  26   0.966  -1.522  -4.845
  205    HD2  TYR  26           HD1      TYR  26   4.315   0.951  -5.917
  206    HE1  TYR  26           HE2      TYR  26   2.143  -3.473  -5.631
  207    HE2  TYR  26           HE1      TYR  26   5.528  -1.028  -6.721
  208    HH   TYR  26           HH       TYR  26   4.546  -4.201  -6.007
  209    H    ARG  27           HN       ARG  27  -0.728   2.932  -4.062
  210    HA   ARG  27           HA       ARG  27   0.161   3.715  -1.352
  211   1HB   ARG  27           HB2      ARG  27  -0.167   5.970  -2.005
  212   2HB   ARG  27           HB3      ARG  27   0.351   5.206  -3.502
  213   1HG   ARG  27           HG2      ARG  27  -1.867   5.103  -4.320
  214   2HG   ARG  27           HG3      ARG  27  -2.549   5.628  -2.755
  215   1HD   ARG  27           HD2      ARG  27  -0.569   7.317  -4.281
  216   2HD   ARG  27           HD3      ARG  27  -2.298   7.412  -4.613
  217    HE   ARG  27           HE       ARG  27  -1.711   7.681  -1.779
  218   1HH1  ARG  27           HH12     ARG  27  -3.916   9.216  -2.772
  219   2HH1  ARG  27           HH11     ARG  27  -3.272  10.807  -3.009
  220   1HH2  ARG  27           HH22     ARG  27   0.033   9.763  -2.971
  221   2HH2  ARG  27           HH21     ARG  27  -1.036  11.117  -3.121
  222    H    ALA  28           HN       ALA  28  -2.831   3.653  -3.297
  223    HA   ALA  28           HA       ALA  28  -4.504   3.791  -0.904
  224   1HB   ALA  28           HB3      ALA  28  -5.052   4.612  -3.342
  225   2HB   ALA  28           HB1      ALA  28  -5.483   2.924  -3.622
  226   3HB   ALA  28           HB2      ALA  28  -6.332   3.860  -2.392
  227    H    ASN  29           HN       ASN  29  -3.987   1.315  -3.462
  228    HA   ASN  29           HA       ASN  29  -5.333  -0.734  -2.025
  229   1HB   ASN  29           HB2      ASN  29  -3.534  -0.722  -4.365
  230   2HB   ASN  29           HB3      ASN  29  -3.583  -2.232  -3.460
  231   1HD2  ASN  29           HD22     ASN  29  -7.212  -0.936  -4.918
  232   2HD2  ASN  29           HD21     ASN  29  -6.129   0.205  -4.280
  233    H    CYS  30           HN       CYS  30  -2.395   0.723  -1.328
  234    HA   CYS  30           HA       CYS  30  -1.807  -1.455   0.595
  235   1HB   CYS  30           HB2      CYS  30   0.061  -0.188  -1.431
  236   2HB   CYS  30           HB3      CYS  30   0.695  -0.964   0.035
  237    H    ALA  31           HN       ALA  31  -3.253   0.783   0.841
  238    HA   ALA  31           HA       ALA  31  -1.910   3.086   1.941
  239   1HB   ALA  31           HB1      ALA  31  -4.684   2.027   1.603
  240   2HB   ALA  31           HB2      ALA  31  -4.447   3.323   2.775
  241   3HB   ALA  31           HB3      ALA  31  -4.012   3.570   1.082
  242    H    LYS  32           HN       LYS  32  -2.420  -0.030   3.129
  243    HA   LYS  32           HA       LYS  32  -2.831   0.723   5.956
  244   1HB   LYS  32           HB2      LYS  32  -3.736  -1.357   5.813
  245   2HB   LYS  32           HB3      LYS  32  -2.922  -1.666   4.281
  246   1HG   LYS  32           HG2      LYS  32  -1.372  -1.757   6.861
  247   2HG   LYS  32           HG3      LYS  32  -2.322  -3.146   6.340
  248   1HD   LYS  32           HD2      LYS  32  -1.002  -2.553   4.033
  249   2HD   LYS  32           HD3      LYS  32   0.200  -2.073   5.232
  250   1HE   LYS  32           HE2      LYS  32  -0.979  -4.780   4.714
  251   2HE   LYS  32           HE3      LYS  32   0.707  -4.354   4.986
  252   1HZ   LYS  32           HZ2      LYS  32  -0.229  -3.632   7.302
  253   2HZ   LYS  32           HZ3      LYS  32  -1.452  -4.752   6.930
  254   3HZ   LYS  32           HZ1      LYS  32   0.163  -5.257   6.993
  255    H    THR  33           HN       THR  33  -0.343   0.036   3.665
  256    HA   THR  33           HA       THR  33   1.827  -0.347   5.615
  257    HB   THR  33           HB       THR  33   1.080  -1.221   3.085
  258    HG1  THR  33           HG1      THR  33   3.112  -1.544   4.880
  259   1HG2  THR  33           HG22     THR  33   2.668   1.037   2.581
  260   2HG2  THR  33           HG23     THR  33   3.760  -0.351   2.482
  261   3HG2  THR  33           HG21     THR  33   2.329  -0.285   1.473
  262    H    CYS  34           HN       CYS  34   0.362   2.187   3.812
  263    HA   CYS  34           HA       CYS  34   2.615   3.941   4.717
  264   1HB   CYS  34           HB2      CYS  34   1.982   3.664   2.131
  265   2HB   CYS  34           HB3      CYS  34   0.796   4.849   2.547
  266    H    GLU  35           HN       GLU  35  -0.534   3.142   5.379
  267    HA   GLU  35           HA       GLU  35  -2.158   4.137   6.637
  268   1HB   GLU  35           HB2      GLU  35   0.081   6.112   7.127
  269   2HB   GLU  35           HB3      GLU  35  -1.475   6.152   7.997
  270   1HG   GLU  35           HG2      GLU  35  -1.262   3.947   8.772
  271   2HG   GLU  35           HG3      GLU  35   0.086   3.614   7.689
  272    H    LEU  36           HN       LEU  36  -1.944   4.572   3.855
  273    HA   LEU  36           HA       LEU  36  -2.902   7.293   3.286
  274   1HB   LEU  36           HB2      LEU  36  -2.710   4.762   1.682
  275   2HB   LEU  36           HB3      LEU  36  -3.125   6.282   0.955
  276    HG   LEU  36           HG       LEU  36  -0.624   6.023   2.576
  277   1HD1  LEU  36           HD12     LEU  36  -0.586   4.186   0.900
  278   2HD1  LEU  36           HD13     LEU  36  -0.880   5.367  -0.381
  279   3HD1  LEU  36           HD11     LEU  36   0.618   5.421   0.545
  280   1HD2  LEU  36           HD23     LEU  36  -1.592   8.237   1.706
  281   2HD2  LEU  36           HD21     LEU  36   0.094   7.917   1.295
  282   3HD2  LEU  36           HD22     LEU  36  -1.171   7.665   0.091
  283    H    CYS  37           HN       CYS  37  -4.203   4.523   4.740
  284    HA   CYS  37           HA       CYS  37  -6.657   4.107   3.430
  285   1HB   CYS  37           HB2      CYS  37  -5.506   3.181   5.729
  286   2HB   CYS  37           HB3      CYS  37  -6.791   4.196   6.382
   
  No H/Q in entry =         286
  Start of MODEL    2
    1   1H    VAL   1           HN       VAL   1 -13.736   2.783  -0.423
    2   2H    VAL   1           HN3      VAL   1 -15.172   1.985  -0.015
    3   3H    VAL   1           HN2      VAL   1 -14.732   3.408   0.804
    4    HA   VAL   1           HA       VAL   1 -13.523   2.312   2.277
    5    HB   VAL   1           HB       VAL   1 -14.640  -0.063   0.758
    6   1HG1  VAL   1           HG13     VAL   1 -12.840   0.137   3.091
    7   2HG1  VAL   1           HG11     VAL   1 -14.250  -0.894   3.337
    8   3HG1  VAL   1           HG12     VAL   1 -13.137  -1.225   2.010
    9   1HG2  VAL   1           HG21     VAL   1 -15.583   1.717   2.979
   10   2HG2  VAL   1           HG22     VAL   1 -16.498   1.022   1.642
   11   3HG2  VAL   1           HG23     VAL   1 -16.047   0.015   3.018
   12    H    CYS   2           HN       CYS   2 -11.340   2.251   2.345
   13    HA   CYS   2           HA       CYS   2  -9.918   0.842   0.131
   14   1HB   CYS   2           HB2      CYS   2  -8.036   2.558   0.821
   15   2HB   CYS   2           HB3      CYS   2  -9.347   3.053  -0.251
   16    H    ARG   3           HN       ARG   3  -7.542   0.291   0.916
   17    HA   ARG   3           HA       ARG   3  -6.531   0.001   3.397
   18   1HB   ARG   3           HB2      ARG   3  -7.445  -2.326   4.096
   19   2HB   ARG   3           HB3      ARG   3  -8.463  -0.926   4.438
   20   1HG   ARG   3           HG2      ARG   3 -10.105  -1.795   3.183
   21   2HG   ARG   3           HG3      ARG   3  -9.038  -1.794   1.779
   22   1HD   ARG   3           HD2      ARG   3  -9.680  -4.065   2.040
   23   2HD   ARG   3           HD3      ARG   3  -8.058  -3.974   2.727
   24    HE   ARG   3           HE       ARG   3  -9.848  -3.488   4.848
   25   1HH1  ARG   3           HH12     ARG   3 -11.223  -5.633   3.030
   26   2HH1  ARG   3           HH11     ARG   3 -10.757  -7.071   3.876
   27   1HH2  ARG   3           HH22     ARG   3  -8.317  -5.489   5.764
   28   2HH2  ARG   3           HH21     ARG   3  -9.111  -6.989   5.424
   29    H    ASP   4           HN       ASP   4  -5.242  -2.205   3.614
   30    HA   ASP   4           HA       ASP   4  -3.662  -2.617   1.358
   31   1HB   ASP   4           HB2      ASP   4  -3.230  -4.941   2.329
   32   2HB   ASP   4           HB3      ASP   4  -2.969  -3.600   3.445
   33    H    TRP   5           HN       TRP   5  -3.665  -4.482  -0.231
   34    HA   TRP   5           HA       TRP   5  -6.282  -5.824  -0.536
   35   1HB   TRP   5           HB2      TRP   5  -5.286  -3.670  -2.378
   36   2HB   TRP   5           HB3      TRP   5  -6.163  -5.039  -3.074
   37    HD1  TRP   5           HD1      TRP   5  -6.707  -1.840  -1.387
   38    HE1  TRP   5           HE1      TRP   5  -9.174  -1.568  -0.668
   39    HE3  TRP   5           HE3      TRP   5  -8.310  -6.614  -2.051
   40    HZ2  TRP   5           HZ2      TRP   5 -11.527  -3.196  -0.413
   41    HZ3  TRP   5           HZ3      TRP   5 -10.659  -7.241  -1.566
   42    HH2  TRP   5           HH2      TRP   5 -12.266  -5.545  -0.751
   43    H    PHE   6           HN       PHE   6  -2.856  -5.366  -1.654
   44    HA   PHE   6           HA       PHE   6  -3.015  -7.847  -3.188
   45   1HB   PHE   6           HB2      PHE   6  -0.700  -6.159  -2.166
   46   2HB   PHE   6           HB3      PHE   6  -0.530  -7.471  -3.336
   47    HD1  PHE   6           HD1      PHE   6  -3.540  -6.263  -4.300
   48    HD2  PHE   6           HD2      PHE   6   0.548  -4.968  -4.061
   49    HE1  PHE   6           HE1      PHE   6  -3.948  -4.648  -6.088
   50    HE2  PHE   6           HE2      PHE   6   0.174  -3.360  -5.828
   51    HZ   PHE   6           HZ       PHE   6  -2.102  -3.183  -6.869
   52    H    LYS   7           HN       LYS   7  -0.204  -8.445  -1.756
   53    HA   LYS   7           HA       LYS   7  -1.415  -9.857   0.531
   54   1HB   LYS   7           HB2      LYS   7   0.774 -10.442  -1.025
   55   2HB   LYS   7           HB3      LYS   7   1.566  -9.584   0.299
   56   1HG   LYS   7           HG2      LYS   7   1.444 -11.440   1.551
   57   2HG   LYS   7           HG3      LYS   7  -0.317 -11.349   1.479
   58   1HD   LYS   7           HD2      LYS   7  -0.456 -12.809  -0.339
   59   2HD   LYS   7           HD3      LYS   7   1.214 -12.516  -0.830
   60   1HE   LYS   7           HE2      LYS   7   0.762 -14.766   0.295
   61   2HE   LYS   7           HE3      LYS   7   2.080 -13.811   0.973
   62   1HZ   LYS   7           HZ1      LYS   7  -0.524 -13.263   2.102
   63   2HZ   LYS   7           HZ2      LYS   7   0.059 -14.832   2.401
   64   3HZ   LYS   7           HZ3      LYS   7   0.968 -13.476   2.874
   65    H    GLU   8           HN       GLU   8  -0.958  -9.076   2.789
   66    HA   GLU   8           HA       GLU   8  -0.867  -6.254   3.067
   67   1HB   GLU   8           HB2      GLU   8  -0.215  -8.507   4.961
   68   2HB   GLU   8           HB3      GLU   8   0.001  -6.826   5.453
   69   1HG   GLU   8           HG2      GLU   8  -2.239  -6.418   5.538
   70   2HG   GLU   8           HG3      GLU   8  -2.584  -7.447   4.146
   71    H    THR   9           HN       THR   9   1.768  -8.369   2.271
   72    HA   THR   9           HA       THR   9   3.635  -6.306   3.223
   73    HB   THR   9           HB       THR   9   5.355  -8.066   2.349
   74    HG1  THR   9           HG1      THR   9   3.511  -9.174   1.236
   75   1HG2  THR   9           HG22     THR   9   3.755  -7.660   4.686
   76   2HG2  THR   9           HG23     THR   9   4.122  -9.380   4.534
   77   3HG2  THR   9           HG21     THR   9   5.435  -8.197   4.585
   78    H    ALA  10           HN       ALA  10   2.229  -7.391   0.200
   79    HA   ALA  10           HA       ALA  10   4.092  -6.270  -1.668
   80   1HB   ALA  10           HB1      ALA  10   1.046  -6.276  -1.592
   81   2HB   ALA  10           HB2      ALA  10   1.916  -5.550  -2.938
   82   3HB   ALA  10           HB3      ALA  10   2.057  -7.285  -2.624
   83    H    CYS  11           HN       CYS  11   1.512  -5.055   0.281
   84    HA   CYS  11           HA       CYS  11   1.501  -2.306  -0.301
   85   1HB   CYS  11           HB2      CYS  11   1.025  -3.794   2.335
   86   2HB   CYS  11           HB3      CYS  11   0.372  -2.201   1.915
   87    H    ARG  12           HN       ARG  12   2.933  -3.740   2.571
   88    HA   ARG  12           HA       ARG  12   4.646  -1.793   3.501
   89   1HB   ARG  12           HB2      ARG  12   4.276  -4.270   4.307
   90   2HB   ARG  12           HB3      ARG  12   5.723  -4.582   3.338
   91   1HG   ARG  12           HG2      ARG  12   6.638  -2.437   4.562
   92   2HG   ARG  12           HG3      ARG  12   5.421  -2.864   5.769
   93   1HD   ARG  12           HD2      ARG  12   6.804  -5.253   5.008
   94   2HD   ARG  12           HD3      ARG  12   8.002  -4.023   5.411
   95    HE   ARG  12           HE       ARG  12   6.071  -5.230   7.272
   96   1HH1  ARG  12           HH22     ARG  12   5.960  -2.249   7.621
   97   2HH1  ARG  12           HH21     ARG  12   7.203  -1.979   8.797
   98   1HH2  ARG  12           HH11     ARG  12   8.746  -3.583   9.200
   99   2HH2  ARG  12           HH12     ARG  12   8.682  -5.081   8.333
  100    H    HIS  13           HN       HIS  13   5.102  -3.589   0.505
  101    HA   HIS  13           HA       HIS  13   7.920  -2.986   0.318
  102   1HB   HIS  13           HB2      HIS  13   6.124  -4.395  -1.257
  103   2HB   HIS  13           HB3      HIS  13   6.281  -2.912  -2.189
  104    HD1  HIS  13           HD1      HIS  13   7.888  -3.421  -4.019
  105    HD2  HIS  13           HD2      HIS  13   9.184  -4.969  -0.370
  106    HE1  HIS  13           HE1      HIS  13  10.183  -4.402  -4.434
  107    H    ALA  14           HN       ALA  14   5.200  -1.584  -1.461
  108    HA   ALA  14           HA       ALA  14   6.212   0.860  -2.214
  109   1HB   ALA  14           HB3      ALA  14   3.968   0.007  -2.740
  110   2HB   ALA  14           HB1      ALA  14   3.456   0.377  -1.092
  111   3HB   ALA  14           HB2      ALA  14   3.925   1.687  -2.208
  112    H    LYS  15           HN       LYS  15   5.259   0.144   1.176
  113    HA   LYS  15           HA       LYS  15   5.497   2.978   1.834
  114   1HB   LYS  15           HB2      LYS  15   4.198   2.107   3.477
  115   2HB   LYS  15           HB3      LYS  15   4.876   0.494   3.325
  116   1HG   LYS  15           HG2      LYS  15   6.910   1.209   4.520
  117   2HG   LYS  15           HG3      LYS  15   6.232   2.832   4.697
  118   1HD   LYS  15           HD2      LYS  15   4.951   2.198   6.444
  119   2HD   LYS  15           HD3      LYS  15   4.413   0.735   5.615
  120   1HE   LYS  15           HE2      LYS  15   5.639  -0.089   7.453
  121   2HE   LYS  15           HE3      LYS  15   6.777  -0.182   6.110
  122   1HZ   LYS  15           HZ2      LYS  15   7.238   2.285   6.980
  123   2HZ   LYS  15           HZ3      LYS  15   6.799   1.542   8.444
  124   3HZ   LYS  15           HZ1      LYS  15   8.090   0.926   7.539
  125    H    SER  16           HN       SER  16   7.780   0.117   2.119
  126    HA   SER  16           HA       SER  16   9.716   2.029   3.253
  127   1HB   SER  16           HB2      SER  16   9.815  -0.964   2.917
  128   2HB   SER  16           HB3      SER  16  11.148  -0.001   3.536
  129    HG   SER  16           HG       SER  16   9.844  -0.734   5.241
  130    H    LEU  17           HN       LEU  17   8.987   1.113   0.064
  131    HA   LEU  17           HA       LEU  17  11.855   1.125  -0.753
  132   1HB   LEU  17           HB2      LEU  17   9.701   1.589  -2.754
  133   2HB   LEU  17           HB3      LEU  17  11.195   0.666  -2.940
  134    HG   LEU  17           HG       LEU  17   9.346  -0.587  -1.082
  135   1HD1  LEU  17           HD13     LEU  17   7.984   0.976  -2.678
  136   2HD1  LEU  17           HD11     LEU  17   8.429  -0.164  -3.941
  137   3HD1  LEU  17           HD12     LEU  17   7.443  -0.711  -2.582
  138   1HD2  LEU  17           HD22     LEU  17  11.314  -1.319  -2.861
  139   2HD2  LEU  17           HD23     LEU  17  10.105  -2.456  -2.259
  140   3HD2  LEU  17           HD21     LEU  17   9.874  -1.664  -3.821
  141    H    GLY  18           HN       GLY  18   8.845   2.826  -1.480
  142   1HA   GLY  18           HA1      GLY  18   9.655   5.437  -0.981
  143   2HA   GLY  18           HA2      GLY  18  10.247   5.050  -2.605
  144    H    ASN  19           HN       ASN  19   7.811   3.319  -3.156
  145    HA   ASN  19           HA       ASN  19   6.316   5.275  -4.420
  146   1HB   ASN  19           HB2      ASN  19   4.685   2.881  -3.618
  147   2HB   ASN  19           HB3      ASN  19   4.947   3.651  -5.119
  148   1HD2  ASN  19           HD22     ASN  19   6.770   0.266  -4.669
  149   2HD2  ASN  19           HD21     ASN  19   5.335   0.759  -3.910
  150    H    CYS  20           HN       CYS  20   4.808   3.608  -1.598
  151    HA   CYS  20           HA       CYS  20   3.144   4.538  -0.211
  152   1HB   CYS  20           HB2      CYS  20   5.567   5.035   0.662
  153   2HB   CYS  20           HB3      CYS  20   5.117   6.707   0.316
  154    H    ARG  21           HN       ARG  21   3.017   5.666  -2.965
  155    HA   ARG  21           HA       ARG  21   0.952   7.340  -3.067
  156   1HB   ARG  21           HB2      ARG  21   3.196   8.803  -1.899
  157   2HB   ARG  21           HB3      ARG  21   2.356   9.643  -3.200
  158   1HG   ARG  21           HG2      ARG  21   0.217   8.642  -1.883
  159   2HG   ARG  21           HG3      ARG  21   1.306   8.842  -0.524
  160   1HD   ARG  21           HD2      ARG  21  -0.256  10.822  -1.188
  161   2HD   ARG  21           HD3      ARG  21   1.418  11.159  -0.770
  162    HE   ARG  21           HE       ARG  21   0.772  10.792  -3.643
  163   1HH1  ARG  21           HH22     ARG  21   2.791  12.291  -1.486
  164   2HH1  ARG  21           HH21     ARG  21   2.723  13.864  -2.210
  165   1HH2  ARG  21           HH12     ARG  21   0.133  13.046  -4.368
  166   2HH2  ARG  21           HH11     ARG  21   1.217  14.290  -3.841
  167    H    THR  22           HN       THR  22   4.129   6.722  -4.446
  168    HA   THR  22           HA       THR  22   3.444   8.279  -6.858
  169    HB   THR  22           HB       THR  22   5.671   7.910  -7.548
  170    HG1  THR  22           HG1      THR  22   5.728   5.689  -7.372
  171   1HG2  THR  22           HG22     THR  22   5.345   9.146  -5.295
  172   2HG2  THR  22           HG23     THR  22   6.045   7.697  -4.571
  173   3HG2  THR  22           HG21     THR  22   6.974   8.637  -5.739
  174    H    SER  23           HN       SER  23   2.341   5.477  -5.696
  175    HA   SER  23           HA       SER  23   2.170   4.251  -8.407
  176   1HB   SER  23           HB2      SER  23   3.846   3.068  -6.986
  177   2HB   SER  23           HB3      SER  23   2.655   2.902  -5.713
  178    HG   SER  23           HG       SER  23   1.516   1.969  -7.878
  179    H    GLN  24           HN       GLN  24   0.007   3.558  -8.845
  180    HA   GLN  24           HA       GLN  24  -1.962   4.817  -7.157
  181   1HB   GLN  24           HB2      GLN  24  -2.627   2.841  -9.324
  182   2HB   GLN  24           HB3      GLN  24  -3.566   4.230  -8.772
  183   1HG   GLN  24           HG2      GLN  24  -1.262   5.468  -9.497
  184   2HG   GLN  24           HG3      GLN  24  -1.280   4.132 -10.650
  185   1HE2  GLN  24           HE22     GLN  24  -3.479   7.211 -11.615
  186   2HE2  GLN  24           HE21     GLN  24  -2.026   7.223 -10.737
  187    H    LYS  25           HN       LYS  25  -2.154   1.336  -8.116
  188    HA   LYS  25           HA       LYS  25  -3.836   0.672  -5.957
  189   1HB   LYS  25           HB2      LYS  25  -2.563  -0.768  -7.944
  190   2HB   LYS  25           HB3      LYS  25  -1.802  -1.385  -6.472
  191   1HG   LYS  25           HG2      LYS  25  -3.731  -2.353  -5.705
  192   2HG   LYS  25           HG3      LYS  25  -4.726  -1.028  -6.291
  193   1HD   LYS  25           HD2      LYS  25  -4.316  -1.916  -8.649
  194   2HD   LYS  25           HD3      LYS  25  -3.664  -3.368  -7.885
  195   1HE   LYS  25           HE2      LYS  25  -5.722  -4.140  -7.407
  196   2HE   LYS  25           HE3      LYS  25  -6.192  -2.605  -6.678
  197   1HZ   LYS  25           HZ2      LYS  25  -6.499  -1.749  -8.978
  198   2HZ   LYS  25           HZ3      LYS  25  -6.277  -3.334  -9.552
  199   3HZ   LYS  25           HZ1      LYS  25  -7.589  -2.979  -8.543
  200    H    TYR  26           HN       TYR  26  -0.309   0.517  -6.090
  201    HA   TYR  26           HA       TYR  26   0.480  -0.318  -3.568
  202   1HB   TYR  26           HB2      TYR  26   1.311   1.610  -5.603
  203   2HB   TYR  26           HB3      TYR  26   2.182   1.695  -4.065
  204    HD1  TYR  26           HD1      TYR  26   0.725  -1.537  -4.925
  205    HD2  TYR  26           HD2      TYR  26   4.197   0.951  -5.379
  206    HE1  TYR  26           HE1      TYR  26   2.020  -3.489  -5.538
  207    HE2  TYR  26           HE2      TYR  26   5.539  -1.042  -6.011
  208    HH   TYR  26           HH       TYR  26   4.101  -4.037  -6.801
  209    H    ARG  27           HN       ARG  27  -0.118   3.166  -4.359
  210    HA   ARG  27           HA       ARG  27   0.024   3.931  -1.609
  211   1HB   ARG  27           HB2      ARG  27  -0.230   6.080  -2.379
  212   2HB   ARG  27           HB3      ARG  27   0.133   5.296  -3.919
  213   1HG   ARG  27           HG2      ARG  27  -2.169   5.212  -4.499
  214   2HG   ARG  27           HG3      ARG  27  -2.671   5.743  -2.875
  215   1HD   ARG  27           HD2      ARG  27  -0.754   7.576  -4.064
  216   2HD   ARG  27           HD3      ARG  27  -2.180   7.392  -5.087
  217    HE   ARG  27           HE       ARG  27  -3.142   7.732  -2.468
  218   1HH1  ARG  27           HH22     ARG  27  -0.530   9.446  -3.591
  219   2HH1  ARG  27           HH21     ARG  27  -1.286  11.005  -3.559
  220   1HH2  ARG  27           HH12     ARG  27  -4.454   9.737  -2.927
  221   2HH2  ARG  27           HH11     ARG  27  -3.511  11.168  -3.182
  222    H    ALA  28           HN       ALA  28  -2.923   3.708  -3.665
  223    HA   ALA  28           HA       ALA  28  -4.624   3.909  -1.315
  224   1HB   ALA  28           HB2      ALA  28  -4.988   3.754  -4.237
  225   2HB   ALA  28           HB3      ALA  28  -6.275   3.011  -3.288
  226   3HB   ALA  28           HB1      ALA  28  -5.862   4.706  -3.037
  227    H    ASN  29           HN       ASN  29  -4.393   1.252  -3.762
  228    HA   ASN  29           HA       ASN  29  -5.780  -0.588  -2.301
  229   1HB   ASN  29           HB2      ASN  29  -3.712  -0.925  -4.359
  230   2HB   ASN  29           HB3      ASN  29  -3.825  -2.294  -3.254
  231   1HD2  ASN  29           HD22     ASN  29  -7.256  -1.324  -5.313
  232   2HD2  ASN  29           HD21     ASN  29  -6.203  -0.076  -4.849
  233    H    CYS  30           HN       CYS  30  -2.422   0.336  -1.779
  234    HA   CYS  30           HA       CYS  30  -2.415  -1.422   0.635
  235   1HB   CYS  30           HB2      CYS  30  -0.215  -0.594  -1.269
  236   2HB   CYS  30           HB3      CYS  30   0.146  -1.198   0.354
  237    H    ALA  31           HN       ALA  31  -3.695   0.719   1.043
  238    HA   ALA  31           HA       ALA  31  -2.143   3.067   1.818
  239   1HB   ALA  31           HB2      ALA  31  -4.960   2.175   1.667
  240   2HB   ALA  31           HB3      ALA  31  -4.616   3.387   2.902
  241   3HB   ALA  31           HB1      ALA  31  -4.251   3.717   1.205
  242    H    LYS  32           HN       LYS  32  -2.500   0.061   3.223
  243    HA   LYS  32           HA       LYS  32  -2.811   0.938   6.024
  244   1HB   LYS  32           HB2      LYS  32  -3.635  -1.155   6.061
  245   2HB   LYS  32           HB3      LYS  32  -2.892  -1.556   4.519
  246   1HG   LYS  32           HG2      LYS  32  -1.230  -1.435   7.040
  247   2HG   LYS  32           HG3      LYS  32  -2.156  -2.873   6.638
  248   1HD   LYS  32           HD2      LYS  32  -0.927  -2.383   4.251
  249   2HD   LYS  32           HD3      LYS  32   0.298  -1.814   5.383
  250   1HE   LYS  32           HE2      LYS  32  -0.852  -4.572   5.075
  251   2HE   LYS  32           HE3      LYS  32   0.840  -4.106   5.208
  252   1HZ   LYS  32           HZ2      LYS  32   0.118  -3.274   7.528
  253   2HZ   LYS  32           HZ3      LYS  32  -1.195  -4.335   7.321
  254   3HZ   LYS  32           HZ1      LYS  32   0.388  -4.935   7.289
  255    H    THR  33           HN       THR  33  -0.382   0.111   3.755
  256    HA   THR  33           HA       THR  33   1.863  -0.034   5.692
  257    HB   THR  33           HB       THR  33   1.075  -1.151   3.261
  258    HG1  THR  33           HG1      THR  33   2.152  -2.147   4.909
  259   1HG2  THR  33           HG23     THR  33   2.968   0.974   2.654
  260   2HG2  THR  33           HG21     THR  33   3.691  -0.611   2.415
  261   3HG2  THR  33           HG22     THR  33   2.203  -0.185   1.587
  262    H    CYS  34           HN       CYS  34   0.496   2.091   3.333
  263    HA   CYS  34           HA       CYS  34   2.656   4.096   3.688
  264   1HB   CYS  34           HB2      CYS  34   1.730   3.393   1.476
  265   2HB   CYS  34           HB3      CYS  34   0.192   4.102   1.925
  266    H    GLU  35           HN       GLU  35  -0.416   3.235   4.941
  267    HA   GLU  35           HA       GLU  35  -1.834   4.263   6.410
  268   1HB   GLU  35           HB2      GLU  35   0.531   6.156   6.626
  269   2HB   GLU  35           HB3      GLU  35  -0.887   6.219   7.707
  270   1HG   GLU  35           HG2      GLU  35  -0.665   3.909   8.282
  271   2HG   GLU  35           HG3      GLU  35   0.668   3.703   7.153
  272    H    LEU  36           HN       LEU  36  -1.884   4.655   3.664
  273    HA   LEU  36           HA       LEU  36  -2.782   7.398   3.111
  274   1HB   LEU  36           HB2      LEU  36  -2.790   4.817   1.574
  275   2HB   LEU  36           HB3      LEU  36  -3.240   6.325   0.833
  276    HG   LEU  36           HG       LEU  36  -0.576   5.820   2.170
  277   1HD1  LEU  36           HD13     LEU  36  -1.475   5.621  -0.706
  278   2HD1  LEU  36           HD11     LEU  36   0.215   5.919  -0.302
  279   3HD1  LEU  36           HD12     LEU  36  -0.572   4.433   0.234
  280   1HD2  LEU  36           HD21     LEU  36  -1.674   8.209   1.817
  281   2HD2  LEU  36           HD22     LEU  36   0.037   7.962   1.467
  282   3HD2  LEU  36           HD23     LEU  36  -1.138   7.976   0.153
  283    H    CYS  37           HN       CYS  37  -4.038   4.665   4.704
  284    HA   CYS  37           HA       CYS  37  -6.607   5.675   5.054
  285   1HB   CYS  37           HB2      CYS  37  -7.218   5.581   2.797
  286   2HB   CYS  37           HB3      CYS  37  -6.305   4.099   2.510
   
  No H/Q in entry =         286
  Start of MODEL    3
    1   1H    VAL   1           HN3      VAL   1 -13.270   0.988   4.373
    2   2H    VAL   1           HN2      VAL   1 -13.572   1.616   2.821
    3   3H    VAL   1           HN       VAL   1 -14.446   0.273   3.386
    4    HA   VAL   1           HA       VAL   1 -12.648  -1.166   3.183
    5    HB   VAL   1           HB       VAL   1 -12.006   0.644   0.889
    6   1HG1  VAL   1           HG13     VAL   1 -11.110  -1.672   1.060
    7   2HG1  VAL   1           HG11     VAL   1 -12.762  -2.287   1.084
    8   3HG1  VAL   1           HG12     VAL   1 -12.150  -1.461  -0.348
    9   1HG2  VAL   1           HG21     VAL   1 -14.714  -0.397   1.647
   10   2HG2  VAL   1           HG22     VAL   1 -14.284   1.111   0.842
   11   3HG2  VAL   1           HG23     VAL   1 -14.262  -0.406  -0.057
   12    H    CYS   2           HN       CYS   2 -11.616   0.530   5.123
   13    HA   CYS   2           HA       CYS   2  -9.199   1.871   4.253
   14   1HB   CYS   2           HB2      CYS   2 -10.530   1.209   6.806
   15   2HB   CYS   2           HB3      CYS   2  -8.777   1.385   6.891
   16    H    ARG   3           HN       ARG   3  -7.592   0.282   3.208
   17    HA   ARG   3           HA       ARG   3  -6.177  -1.390   5.008
   18   1HB   ARG   3           HB2      ARG   3  -6.924  -3.613   4.195
   19   2HB   ARG   3           HB3      ARG   3  -8.203  -2.759   5.053
   20   1HG   ARG   3           HG2      ARG   3  -9.506  -2.607   3.208
   21   2HG   ARG   3           HG3      ARG   3  -8.146  -2.154   2.182
   22   1HD   ARG   3           HD2      ARG   3  -9.324  -4.441   1.744
   23   2HD   ARG   3           HD3      ARG   3  -7.562  -4.379   1.742
   24    HE   ARG   3           HE       ARG   3  -8.964  -5.121   4.262
   25   1HH1  ARG   3           HH12     ARG   3  -8.078  -6.666   1.463
   26   2HH1  ARG   3           HH11     ARG   3  -6.958  -7.768   2.194
   27   1HH2  ARG   3           HH22     ARG   3  -7.014  -6.189   5.281
   28   2HH2  ARG   3           HH21     ARG   3  -6.356  -7.498   4.356
   29    H    ASP   4           HN       ASP   4  -5.303  -3.405   3.287
   30    HA   ASP   4           HA       ASP   4  -4.005  -1.775   1.164
   31   1HB   ASP   4           HB2      ASP   4  -2.192  -3.301   1.261
   32   2HB   ASP   4           HB3      ASP   4  -2.691  -3.132   2.945
   33    H    TRP   5           HN       TRP   5  -3.234  -4.196  -0.431
   34    HA   TRP   5           HA       TRP   5  -5.872  -5.284  -1.178
   35   1HB   TRP   5           HB2      TRP   5  -4.500  -3.092  -2.612
   36   2HB   TRP   5           HB3      TRP   5  -5.118  -4.380  -3.659
   37    HD1  TRP   5           HD1      TRP   5  -6.342  -1.284  -2.339
   38    HE1  TRP   5           HE1      TRP   5  -8.893  -1.293  -2.019
   39    HE3  TRP   5           HE3      TRP   5  -7.236  -6.297  -2.624
   40    HZ2  TRP   5           HZ2      TRP   5 -11.046  -3.187  -1.895
   41    HZ3  TRP   5           HZ3      TRP   5  -9.537  -7.179  -2.400
   42    HH2  TRP   5           HH2      TRP   5 -11.440  -5.635  -2.037
   43    H    PHE   6           HN       PHE   6  -2.299  -5.113  -1.780
   44    HA   PHE   6           HA       PHE   6  -2.352  -7.633  -3.297
   45   1HB   PHE   6           HB2      PHE   6  -0.105  -6.132  -1.894
   46   2HB   PHE   6           HB3      PHE   6   0.096  -7.375  -3.132
   47    HD1  PHE   6           HD2      PHE   6  -2.033  -6.586  -5.028
   48    HD2  PHE   6           HD1      PHE   6   0.825  -4.218  -2.866
   49    HE1  PHE   6           HE2      PHE   6  -2.154  -4.865  -6.761
   50    HE2  PHE   6           HE1      PHE   6   0.726  -2.502  -4.569
   51    HZ   PHE   6           HZ       PHE   6  -0.765  -2.800  -6.542
   52    H    LYS   7           HN       LYS   7   0.075  -8.523  -1.649
   53    HA   LYS   7           HA       LYS   7  -1.407  -9.772   0.555
   54   1HB   LYS   7           HB2      LYS   7   1.550  -9.686  -0.230
   55   2HB   LYS   7           HB3      LYS   7   0.989 -10.519   1.222
   56   1HG   LYS   7           HG2      LYS   7  -0.128 -11.121  -1.521
   57   2HG   LYS   7           HG3      LYS   7   1.261 -11.980  -0.852
   58   1HD   LYS   7           HD2      LYS   7  -0.291 -12.320   1.233
   59   2HD   LYS   7           HD3      LYS   7  -1.593 -11.997   0.085
   60   1HE   LYS   7           HE2      LYS   7   0.526 -13.954  -0.702
   61   2HE   LYS   7           HE3      LYS   7  -0.700 -14.470   0.456
   62   1HZ   LYS   7           HZ1      LYS   7  -1.492 -13.092  -2.025
   63   2HZ   LYS   7           HZ2      LYS   7  -1.141 -14.755  -2.050
   64   3HZ   LYS   7           HZ3      LYS   7  -2.391 -14.157  -1.063
   65    H    GLU   8           HN       GLU   8  -0.954  -9.050   2.872
   66    HA   GLU   8           HA       GLU   8  -0.811  -6.226   3.161
   67   1HB   GLU   8           HB2      GLU   8   0.222  -8.129   5.266
   68   2HB   GLU   8           HB3      GLU   8  -0.658  -6.620   5.497
   69   1HG   GLU   8           HG2      GLU   8  -2.485  -7.931   5.736
   70   2HG   GLU   8           HG3      GLU   8  -2.425  -8.084   3.979
   71    H    THR   9           HN       THR   9   1.752  -8.459   2.498
   72    HA   THR   9           HA       THR   9   3.735  -6.491   3.427
   73    HB   THR   9           HB       THR   9   5.336  -8.382   2.760
   74    HG1  THR   9           HG1      THR   9   4.452 -10.158   1.989
   75   1HG2  THR   9           HG23     THR   9   3.432  -7.971   4.887
   76   2HG2  THR   9           HG21     THR   9   3.828  -9.685   4.741
   77   3HG2  THR   9           HG22     THR   9   5.116  -8.500   4.992
   78    H    ALA  10           HN       ALA  10   2.313  -7.608   0.445
   79    HA   ALA  10           HA       ALA  10   4.284  -6.657  -1.434
   80   1HB   ALA  10           HB1      ALA  10   1.377  -7.182  -1.486
   81   2HB   ALA  10           HB2      ALA  10   1.785  -5.737  -2.402
   82   3HB   ALA  10           HB3      ALA  10   2.518  -7.286  -2.827
   83    H    CYS  11           HN       CYS  11   1.830  -5.188   0.572
   84    HA   CYS  11           HA       CYS  11   2.374  -2.531  -0.389
   85   1HB   CYS  11           HB2      CYS  11   0.695  -3.789   1.798
   86   2HB   CYS  11           HB3      CYS  11   0.891  -2.016   1.744
   87    H    ARG  12           HN       ARG  12   3.563  -4.528   2.280
   88    HA   ARG  12           HA       ARG  12   4.998  -2.574   3.745
   89   1HB   ARG  12           HB2      ARG  12   5.450  -4.689   4.652
   90   2HB   ARG  12           HB3      ARG  12   5.578  -5.451   3.053
   91   1HG   ARG  12           HG2      ARG  12   7.686  -4.530   2.619
   92   2HG   ARG  12           HG3      ARG  12   7.530  -3.325   3.891
   93   1HD   ARG  12           HD2      ARG  12   8.336  -4.729   5.473
   94   2HD   ARG  12           HD3      ARG  12   7.307  -6.054   4.928
   95    HE   ARG  12           HE       ARG  12   9.045  -6.648   3.301
   96   1HH1  ARG  12           HH22     ARG  12  10.345  -3.944   3.075
   97   2HH1  ARG  12           HH21     ARG  12  11.814  -4.179   3.962
   98   1HH2  ARG  12           HH12     ARG  12  10.715  -7.069   5.533
   99   2HH2  ARG  12           HH11     ARG  12  12.023  -5.949   5.353
  100    H    HIS  13           HN       HIS  13   5.405  -3.888   0.532
  101    HA   HIS  13           HA       HIS  13   8.075  -2.823   0.117
  102   1HB   HIS  13           HB2      HIS  13   7.070  -4.698  -1.260
  103   2HB   HIS  13           HB3      HIS  13   5.953  -3.522  -1.954
  104    HD1  HIS  13           HD1      HIS  13   6.769  -2.940  -4.232
  105    HD2  HIS  13           HD2      HIS  13   9.920  -3.273  -1.523
  106    HE1  HIS  13           HE1      HIS  13   8.869  -2.323  -5.500
  107    H    ALA  14           HN       ALA  14   4.800  -1.844  -1.025
  108    HA   ALA  14           HA       ALA  14   5.535   0.606  -2.203
  109   1HB   ALA  14           HB3      ALA  14   3.059   0.103  -0.534
  110   2HB   ALA  14           HB1      ALA  14   3.321   1.495  -1.590
  111   3HB   ALA  14           HB2      ALA  14   3.223  -0.134  -2.275
  112    H    LYS  15           HN       LYS  15   4.470   0.382   1.237
  113    HA   LYS  15           HA       LYS  15   5.237   3.052   1.861
  114   1HB   LYS  15           HB2      LYS  15   4.105   2.289   3.660
  115   2HB   LYS  15           HB3      LYS  15   4.499   0.607   3.324
  116   1HG   LYS  15           HG2      LYS  15   6.758   0.965   4.298
  117   2HG   LYS  15           HG3      LYS  15   6.303   2.629   4.678
  118   1HD   LYS  15           HD2      LYS  15   4.309   1.623   5.943
  119   2HD   LYS  15           HD3      LYS  15   5.164   0.083   5.831
  120   1HE   LYS  15           HE2      LYS  15   6.076   0.797   7.808
  121   2HE   LYS  15           HE3      LYS  15   7.185   1.627   6.716
  122   1HZ   LYS  15           HZ2      LYS  15   4.718   3.031   7.291
  123   2HZ   LYS  15           HZ3      LYS  15   5.771   2.855   8.614
  124   3HZ   LYS  15           HZ1      LYS  15   6.311   3.620   7.203
  125    H    SER  16           HN       SER  16   7.179  -0.031   1.741
  126    HA   SER  16           HA       SER  16   9.583   1.347   2.775
  127   1HB   SER  16           HB2      SER  16   9.054  -1.450   1.838
  128   2HB   SER  16           HB3      SER  16  10.541  -0.891   2.588
  129    HG   SER  16           HG       SER  16   8.893  -0.121   4.297
  130    H    LEU  17           HN       LEU  17   8.280   1.478  -0.247
  131    HA   LEU  17           HA       LEU  17  10.916   0.944  -1.532
  132   1HB   LEU  17           HB2      LEU  17   9.843   0.114  -3.434
  133   2HB   LEU  17           HB3      LEU  17   8.846  -0.482  -2.116
  134    HG   LEU  17           HG       LEU  17   7.432   1.629  -2.476
  135   1HD1  LEU  17           HD11     LEU  17   9.525   2.075  -4.306
  136   2HD1  LEU  17           HD12     LEU  17   8.107   1.699  -5.298
  137   3HD1  LEU  17           HD13     LEU  17   8.053   3.035  -4.139
  138   1HD2  LEU  17           HD23     LEU  17   7.077  -0.845  -3.142
  139   2HD2  LEU  17           HD21     LEU  17   6.072   0.344  -3.967
  140   3HD2  LEU  17           HD22     LEU  17   7.478  -0.333  -4.785
  141    H    GLY  18           HN       GLY  18   8.225   3.245  -1.474
  142   1HA   GLY  18           HA1      GLY  18   9.439   5.600  -1.549
  143   2HA   GLY  18           HA2      GLY  18   9.851   5.056  -3.173
  144    H    ASN  19           HN       ASN  19   6.893   3.677  -2.745
  145    HA   ASN  19           HA       ASN  19   5.646   5.848  -4.224
  146   1HB   ASN  19           HB2      ASN  19   4.981   2.986  -3.588
  147   2HB   ASN  19           HB3      ASN  19   3.803   3.940  -4.317
  148   1HD2  ASN  19           HD22     ASN  19   6.358   2.252  -6.676
  149   2HD2  ASN  19           HD21     ASN  19   5.753   1.725  -5.175
  150    H    CYS  20           HN       CYS  20   3.973   3.869  -1.736
  151    HA   CYS  20           HA       CYS  20   2.410   4.628  -0.138
  152   1HB   CYS  20           HB2      CYS  20   4.817   4.878   0.773
  153   2HB   CYS  20           HB3      CYS  20   4.570   6.600   0.532
  154    H    ARG  21           HN       ARG  21   2.398   6.160  -2.753
  155    HA   ARG  21           HA       ARG  21   0.392   7.988  -2.542
  156   1HB   ARG  21           HB2      ARG  21   2.805   9.026  -1.264
  157   2HB   ARG  21           HB3      ARG  21   2.089  10.131  -2.442
  158   1HG   ARG  21           HG2      ARG  21   0.124  10.363  -1.245
  159   2HG   ARG  21           HG3      ARG  21   0.253   8.758  -0.524
  160   1HD   ARG  21           HD2      ARG  21   1.273   9.592   1.302
  161   2HD   ARG  21           HD3      ARG  21   2.478  10.409   0.308
  162    HE   ARG  21           HE       ARG  21  -0.100  11.596   1.200
  163   1HH1  ARG  21           HH12     ARG  21   1.320  12.300  -1.539
  164   2HH1  ARG  21           HH11     ARG  21   2.058  13.800  -1.086
  165   1HH2  ARG  21           HH22     ARG  21   1.561  13.323   2.313
  166   2HH2  ARG  21           HH21     ARG  21   2.195  14.379   1.094
  167    H    THR  22           HN       THR  22   3.532   7.323  -4.061
  168    HA   THR  22           HA       THR  22   2.880   9.156  -6.276
  169    HB   THR  22           HB       THR  22   5.052   8.550  -7.161
  170    HG1  THR  22           HG1      THR  22   6.218   6.887  -5.865
  171   1HG2  THR  22           HG22     THR  22   4.708   9.388  -4.409
  172   2HG2  THR  22           HG23     THR  22   6.233   8.530  -4.624
  173   3HG2  THR  22           HG21     THR  22   5.872   9.946  -5.609
  174    H    SER  23           HN       SER  23   2.566   5.818  -5.360
  175    HA   SER  23           HA       SER  23   1.739   5.152  -8.159
  176   1HB   SER  23           HB2      SER  23   3.283   3.812  -6.055
  177   2HB   SER  23           HB3      SER  23   1.967   2.803  -6.620
  178    HG   SER  23           HG       SER  23   3.269   2.429  -8.257
  179    H    GLN  24           HN       GLN  24  -0.485   5.464  -8.224
  180    HA   GLN  24           HA       GLN  24  -2.220   5.754  -6.107
  181   1HB   GLN  24           HB2      GLN  24  -3.130   4.215  -8.533
  182   2HB   GLN  24           HB3      GLN  24  -4.022   5.405  -7.583
  183   1HG   GLN  24           HG2      GLN  24  -2.224   7.090  -8.332
  184   2HG   GLN  24           HG3      GLN  24  -1.778   5.885  -9.543
  185   1HE2  GLN  24           HE22     GLN  24  -4.661   8.279 -10.595
  186   2HE2  GLN  24           HE21     GLN  24  -3.314   8.637  -9.626
  187    H    LYS  25           HN       LYS  25  -0.922   2.657  -7.231
  188    HA   LYS  25           HA       LYS  25  -2.822   1.183  -5.539
  189   1HB   LYS  25           HB2      LYS  25  -1.524   0.517  -7.824
  190   2HB   LYS  25           HB3      LYS  25  -0.389  -0.142  -6.630
  191   1HG   LYS  25           HG2      LYS  25  -1.950  -1.568  -5.690
  192   2HG   LYS  25           HG3      LYS  25  -3.295  -0.556  -6.230
  193   1HD   LYS  25           HD2      LYS  25  -1.563  -2.159  -8.131
  194   2HD   LYS  25           HD3      LYS  25  -3.101  -2.743  -7.493
  195   1HE   LYS  25           HE2      LYS  25  -4.173  -0.642  -8.402
  196   2HE   LYS  25           HE3      LYS  25  -2.648  -0.299  -9.219
  197   1HZ   LYS  25           HZ2      LYS  25  -2.832  -2.543 -10.239
  198   2HZ   LYS  25           HZ3      LYS  25  -4.404  -2.659  -9.603
  199   3HZ   LYS  25           HZ1      LYS  25  -4.041  -1.454 -10.736
  200    H    TYR  26           HN       TYR  26   0.708   1.733  -5.720
  201    HA   TYR  26           HA       TYR  26   1.240   0.496  -3.228
  202   1HB   TYR  26           HB2      TYR  26   2.728   2.497  -4.866
  203   2HB   TYR  26           HB3      TYR  26   3.411   1.835  -3.395
  204    HD1  TYR  26           HD1      TYR  26   2.150  -1.009  -3.525
  205    HD2  TYR  26           HD2      TYR  26   4.127   1.418  -6.494
  206    HE1  TYR  26           HE1      TYR  26   2.770  -2.953  -4.665
  207    HE2  TYR  26           HE2      TYR  26   4.781  -0.620  -7.687
  208    HH   TYR  26           HH       TYR  26   5.153  -3.176  -6.937
  209    H    ARG  27           HN       ARG  27  -0.489   3.342  -3.707
  210    HA   ARG  27           HA       ARG  27   0.247   4.274  -0.987
  211   1HB   ARG  27           HB2      ARG  27  -0.184   6.474  -1.648
  212   2HB   ARG  27           HB3      ARG  27   0.404   5.818  -3.181
  213   1HG   ARG  27           HG2      ARG  27  -1.833   5.484  -3.963
  214   2HG   ARG  27           HG3      ARG  27  -2.519   5.970  -2.389
  215   1HD   ARG  27           HD2      ARG  27  -0.771   7.752  -4.096
  216   2HD   ARG  27           HD3      ARG  27  -2.530   7.763  -4.193
  217    HE   ARG  27           HE       ARG  27  -1.052   9.177  -2.254
  218   1HH1  ARG  27           HH22     ARG  27  -3.839   7.260  -2.692
  219   2HH1  ARG  27           HH21     ARG  27  -4.500   7.589  -1.124
  220   1HH2  ARG  27           HH12     ARG  27  -1.761   9.451  -0.088
  221   2HH2  ARG  27           HH11     ARG  27  -3.317   8.834   0.354
  222    H    ALA  28           HN       ALA  28  -2.435   3.853  -3.288
  223    HA   ALA  28           HA       ALA  28  -4.463   3.899  -1.190
  224   1HB   ALA  28           HB2      ALA  28  -4.709   4.538  -3.727
  225   2HB   ALA  28           HB3      ALA  28  -4.880   2.800  -3.973
  226   3HB   ALA  28           HB1      ALA  28  -6.026   3.662  -2.948
  227    H    ASN  29           HN       ASN  29  -3.315   1.372  -3.498
  228    HA   ASN  29           HA       ASN  29  -4.604  -0.748  -2.112
  229   1HB   ASN  29           HB2      ASN  29  -2.398  -0.649  -4.131
  230   2HB   ASN  29           HB3      ASN  29  -2.587  -2.133  -3.201
  231   1HD2  ASN  29           HD22     ASN  29  -6.027  -1.074  -5.153
  232   2HD2  ASN  29           HD21     ASN  29  -5.243   0.060  -4.162
  233    H    CYS  30           HN       CYS  30  -1.934   1.119  -1.186
  234    HA   CYS  30           HA       CYS  30  -1.324  -0.890   0.944
  235   1HB   CYS  30           HB2      CYS  30   0.579   1.062  -0.381
  236   2HB   CYS  30           HB3      CYS  30   1.012  -0.153   0.841
  237    H    ALA  31           HN       ALA  31  -3.343   0.968   1.035
  238    HA   ALA  31           HA       ALA  31  -2.615   3.383   2.372
  239   1HB   ALA  31           HB2      ALA  31  -5.075   1.901   1.722
  240   2HB   ALA  31           HB3      ALA  31  -5.187   2.757   3.261
  241   3HB   ALA  31           HB1      ALA  31  -4.815   3.643   1.780
  242    H    LYS  32           HN       LYS  32  -2.876   0.073   3.297
  243    HA   LYS  32           HA       LYS  32  -3.077   0.532   6.196
  244   1HB   LYS  32           HB2      LYS  32  -4.096  -1.465   5.681
  245   2HB   LYS  32           HB3      LYS  32  -3.058  -1.753   4.291
  246   1HG   LYS  32           HG2      LYS  32  -1.932  -1.909   7.082
  247   2HG   LYS  32           HG3      LYS  32  -2.798  -3.277   6.386
  248   1HD   LYS  32           HD2      LYS  32  -1.115  -2.647   4.337
  249   2HD   LYS  32           HD3      LYS  32  -0.125  -2.207   5.726
  250   1HE   LYS  32           HE2      LYS  32  -1.231  -4.892   4.966
  251   2HE   LYS  32           HE3      LYS  32   0.410  -4.494   5.458
  252   1HZ   LYS  32           HZ3      LYS  32  -0.737  -3.846   7.670
  253   2HZ   LYS  32           HZ1      LYS  32  -2.000  -4.831   7.119
  254   3HZ   LYS  32           HZ2      LYS  32  -0.444  -5.485   7.327
  255    H    THR  33           HN       THR  33  -0.727   0.245   3.696
  256    HA   THR  33           HA       THR  33   1.572   0.123   5.591
  257    HB   THR  33           HB       THR  33   1.732  -0.582   2.724
  258    HG1  THR  33           HG1      THR  33   1.595  -2.882   3.936
  259   1HG2  THR  33           HG23     THR  33   3.494  -0.373   4.809
  260   2HG2  THR  33           HG21     THR  33   3.302  -2.119   4.627
  261   3HG2  THR  33           HG22     THR  33   3.817  -1.138   3.251
  262    H    CYS  34           HN       CYS  34   0.512   2.243   5.246
  263    HA   CYS  34           HA       CYS  34   2.344   4.104   4.042
  264   1HB   CYS  34           HB2      CYS  34   1.242   3.144   2.011
  265   2HB   CYS  34           HB3      CYS  34  -0.272   3.815   2.575
  266    H    GLU  35           HN       GLU  35  -0.954   3.523   5.166
  267    HA   GLU  35           HA       GLU  35  -2.260   4.643   6.657
  268   1HB   GLU  35           HB2      GLU  35   0.328   5.960   7.097
  269   2HB   GLU  35           HB3      GLU  35  -1.053   7.039   7.386
  270   1HG   GLU  35           HG2      GLU  35  -1.979   5.680   9.005
  271   2HG   GLU  35           HG3      GLU  35  -1.190   4.234   8.376
  272    H    LEU  36           HN       LEU  36  -2.868   4.686   4.322
  273    HA   LEU  36           HA       LEU  36  -3.712   7.426   3.483
  274   1HB   LEU  36           HB2      LEU  36  -3.483   4.955   1.789
  275   2HB   LEU  36           HB3      LEU  36  -3.737   6.557   1.185
  276    HG   LEU  36           HG       LEU  36  -1.233   5.439   2.439
  277   1HD1  LEU  36           HD11     LEU  36  -2.153   6.110  -0.222
  278   2HD1  LEU  36           HD12     LEU  36  -0.705   7.038   0.190
  279   3HD1  LEU  36           HD13     LEU  36  -0.688   5.276   0.290
  280   1HD2  LEU  36           HD22     LEU  36  -2.279   8.212   2.463
  281   2HD2  LEU  36           HD23     LEU  36  -1.056   7.460   3.490
  282   3HD2  LEU  36           HD21     LEU  36  -0.620   8.044   1.885
  283    H    CYS  37           HN       CYS  37  -4.690   4.411   4.780
  284    HA   CYS  37           HA       CYS  37  -7.116   3.792   3.605
  285   1HB   CYS  37           HB2      CYS  37  -7.187   2.454   5.412
  286   2HB   CYS  37           HB3      CYS  37  -5.894   3.391   6.162
   
  No H/Q in entry =         286
  Start of MODEL    4
    1   1H    VAL   1           HN       VAL   1 -14.102   1.514   1.824
    2   2H    VAL   1           HN3      VAL   1 -15.073   0.236   2.363
    3   3H    VAL   1           HN2      VAL   1 -15.291   1.795   3.007
    4    HA   VAL   1           HA       VAL   1 -13.722   1.517   4.531
    5    HB   VAL   1           HB       VAL   1 -13.321  -0.728   5.185
    6   1HG1  VAL   1           HG13     VAL   1 -15.835   0.087   4.518
    7   2HG1  VAL   1           HG11     VAL   1 -15.705  -1.389   3.561
    8   3HG1  VAL   1           HG12     VAL   1 -15.483  -1.448   5.310
    9   1HG2  VAL   1           HG21     VAL   1 -13.743  -1.452   2.265
   10   2HG2  VAL   1           HG22     VAL   1 -12.201  -1.460   3.120
   11   3HG2  VAL   1           HG23     VAL   1 -13.460  -2.613   3.563
   12    H    CYS   2           HN       CYS   2 -11.447   1.546   4.888
   13    HA   CYS   2           HA       CYS   2  -9.868   1.490   2.369
   14   1HB   CYS   2           HB2      CYS   2  -8.194   2.817   3.719
   15   2HB   CYS   2           HB3      CYS   2  -9.758   3.612   3.534
   16    H    ARG   3           HN       ARG   3  -7.485   0.721   2.752
   17    HA   ARG   3           HA       ARG   3  -6.350  -0.724   4.715
   18   1HB   ARG   3           HB2      ARG   3  -7.092  -3.124   4.267
   19   2HB   ARG   3           HB3      ARG   3  -8.251  -2.134   5.154
   20   1HG   ARG   3           HG2      ARG   3  -9.742  -2.069   3.417
   21   2HG   ARG   3           HG3      ARG   3  -8.472  -2.068   2.192
   22   1HD   ARG   3           HD2      ARG   3  -9.961  -4.198   2.449
   23   2HD   ARG   3           HD3      ARG   3  -8.220  -4.395   2.258
   24    HE   ARG   3           HE       ARG   3  -9.054  -4.216   5.050
   25   1HH1  ARG   3           HH22     ARG   3  -7.346  -5.975   2.800
   26   2HH1  ARG   3           HH21     ARG   3  -7.677  -7.531   3.483
   27   1HH2  ARG   3           HH12     ARG   3 -10.034  -6.338   5.728
   28   2HH2  ARG   3           HH11     ARG   3  -9.200  -7.737   5.141
   29    H    ASP   4           HN       ASP   4  -5.173  -2.878   3.708
   30    HA   ASP   4           HA       ASP   4  -3.920  -1.873   1.257
   31   1HB   ASP   4           HB2      ASP   4  -2.522  -3.970   1.463
   32   2HB   ASP   4           HB3      ASP   4  -2.471  -2.957   2.906
   33    H    TRP   5           HN       TRP   5  -3.458  -4.252  -0.244
   34    HA   TRP   5           HA       TRP   5  -6.129  -5.473  -0.574
   35   1HB   TRP   5           HB2      TRP   5  -5.077  -3.349  -2.342
   36   2HB   TRP   5           HB3      TRP   5  -5.770  -4.751  -3.169
   37    HD1  TRP   5           HD1      TRP   5  -6.859  -1.590  -1.745
   38    HE1  TRP   5           HE1      TRP   5  -9.371  -1.616  -1.196
   39    HE3  TRP   5           HE3      TRP   5  -7.757  -6.598  -2.034
   40    HZ2  TRP   5           HZ2      TRP   5 -11.500  -3.524  -0.914
   41    HZ3  TRP   5           HZ3      TRP   5 -10.027  -7.496  -1.621
   42    HH2  TRP   5           HH2      TRP   5 -11.896  -5.972  -1.063
   43    H    PHE   6           HN       PHE   6  -2.613  -5.428  -1.417
   44    HA   PHE   6           HA       PHE   6  -2.943  -7.842  -3.045
   45   1HB   PHE   6           HB2      PHE   6  -0.490  -6.455  -1.872
   46   2HB   PHE   6           HB3      PHE   6  -0.464  -7.725  -3.104
   47    HD1  PHE   6           HD2      PHE   6  -2.508  -7.100  -4.954
   48    HD2  PHE   6           HD1      PHE   6   0.040  -4.431  -2.781
   49    HE1  PHE   6           HE2      PHE   6  -2.816  -5.399  -6.697
   50    HE2  PHE   6           HE1      PHE   6  -0.253  -2.712  -4.511
   51    HZ   PHE   6           HZ       PHE   6  -1.679  -3.193  -6.471
   52    H    LYS   7           HN       LYS   7  -0.392  -8.905  -1.588
   53    HA   LYS   7           HA       LYS   7  -1.954 -10.262   0.502
   54   1HB   LYS   7           HB2      LYS   7  -0.143 -11.319  -1.034
   55   2HB   LYS   7           HB3      LYS   7   0.994 -10.685   0.157
   56   1HG   LYS   7           HG2      LYS   7   0.593 -12.669   1.206
   57   2HG   LYS   7           HG3      LYS   7  -0.833 -11.821   1.809
   58   1HD   LYS   7           HD2      LYS   7  -2.206 -13.197   0.687
   59   2HD   LYS   7           HD3      LYS   7  -1.352 -12.890  -0.827
   60   1HE   LYS   7           HE2      LYS   7   0.443 -14.493   0.456
   61   2HE   LYS   7           HE3      LYS   7  -1.079 -15.146   1.060
   62   1HZ   LYS   7           HZ2      LYS   7  -1.188 -14.594  -1.734
   63   2HZ   LYS   7           HZ3      LYS   7   0.065 -15.682  -1.365
   64   3HZ   LYS   7           HZ1      LYS   7  -1.526 -16.040  -0.908
   65    H    GLU   8           HN       GLU   8  -1.294  -7.395   0.921
   66    HA   GLU   8           HA       GLU   8  -1.012  -6.032   2.767
   67   1HB   GLU   8           HB2      GLU   8  -1.369  -7.107   4.705
   68   2HB   GLU   8           HB3      GLU   8  -1.330  -8.592   3.724
   69   1HG   GLU   8           HG2      GLU   8   1.095  -8.694   3.941
   70   2HG   GLU   8           HG3      GLU   8   1.077  -7.281   4.991
   71    H    THR   9           HN       THR   9   1.618  -8.315   2.053
   72    HA   THR   9           HA       THR   9   3.593  -6.441   3.126
   73    HB   THR   9           HB       THR   9   5.181  -8.256   2.455
   74    HG1  THR   9           HG1      THR   9   3.083  -9.936   1.834
   75   1HG2  THR   9           HG22     THR   9   3.020  -8.247   4.302
   76   2HG2  THR   9           HG23     THR   9   3.275  -9.911   3.772
   77   3HG2  THR   9           HG21     THR   9   4.609  -8.998   4.490
   78    H    ALA  10           HN       ALA  10   2.284  -7.446   0.029
   79    HA   ALA  10           HA       ALA  10   4.153  -6.365  -1.808
   80   1HB   ALA  10           HB2      ALA  10   1.726  -7.377  -2.223
   81   2HB   ALA  10           HB3      ALA  10   1.211  -5.701  -2.026
   82   3HB   ALA  10           HB1      ALA  10   2.330  -6.128  -3.320
   83    H    CYS  11           HN       CYS  11   1.742  -4.973   0.254
   84    HA   CYS  11           HA       CYS  11   1.961  -2.232  -0.522
   85   1HB   CYS  11           HB2      CYS  11   0.890  -3.640   1.962
   86   2HB   CYS  11           HB3      CYS  11   0.496  -1.979   1.470
   87    H    ARG  12           HN       ARG  12   3.203  -3.801   2.488
   88    HA   ARG  12           HA       ARG  12   4.705  -1.581   3.350
   89   1HB   ARG  12           HB2      ARG  12   4.291  -3.975   4.394
   90   2HB   ARG  12           HB3      ARG  12   5.878  -4.307   3.688
   91   1HG   ARG  12           HG2      ARG  12   6.603  -2.080   4.788
   92   2HG   ARG  12           HG3      ARG  12   5.141  -2.251   5.761
   93   1HD   ARG  12           HD2      ARG  12   5.904  -4.511   6.470
   94   2HD   ARG  12           HD3      ARG  12   7.400  -4.264   5.568
   95    HE   ARG  12           HE       ARG  12   7.811  -2.301   7.127
   96   1HH1  ARG  12           HH22     ARG  12   4.894  -3.384   8.133
   97   2HH1  ARG  12           HH21     ARG  12   5.361  -3.799   9.749
   98   1HH2  ARG  12           HH12     ARG  12   8.759  -3.470   9.135
   99   2HH2  ARG  12           HH11     ARG  12   7.548  -3.848  10.316
  100    H    HIS  13           HN       HIS  13   5.272  -3.618   0.638
  101    HA   HIS  13           HA       HIS  13   8.122  -3.149   0.441
  102   1HB   HIS  13           HB2      HIS  13   7.531  -4.912  -0.956
  103   2HB   HIS  13           HB3      HIS  13   5.910  -4.293  -1.194
  104    HD1  HIS  13           HD1      HIS  13   5.487  -2.899  -3.294
  105    HD2  HIS  13           HD2      HIS  13   9.512  -3.855  -2.776
  106    HE1  HIS  13           HE1      HIS  13   6.655  -2.257  -5.443
  107    H    ALA  14           HN       ALA  14   5.188  -1.763  -0.959
  108    HA   ALA  14           HA       ALA  14   6.503   0.508  -2.214
  109   1HB   ALA  14           HB1      ALA  14   3.697  -0.323  -1.593
  110   2HB   ALA  14           HB2      ALA  14   4.004   1.347  -2.083
  111   3HB   ALA  14           HB3      ALA  14   4.443   0.013  -3.157
  112    H    LYS  15           HN       LYS  15   5.443  -0.040   1.145
  113    HA   LYS  15           HA       LYS  15   5.218   2.805   1.757
  114   1HB   LYS  15           HB2      LYS  15   4.085   1.566   3.395
  115   2HB   LYS  15           HB3      LYS  15   5.235   0.233   3.316
  116   1HG   LYS  15           HG2      LYS  15   5.405   1.503   5.416
  117   2HG   LYS  15           HG3      LYS  15   6.899   1.528   4.478
  118   1HD   LYS  15           HD2      LYS  15   5.838   3.742   3.472
  119   2HD   LYS  15           HD3      LYS  15   4.954   3.745   4.998
  120   1HE   LYS  15           HE2      LYS  15   7.837   3.186   5.264
  121   2HE   LYS  15           HE3      LYS  15   7.456   4.805   4.679
  122   1HZ   LYS  15           HZ2      LYS  15   5.874   3.804   6.910
  123   2HZ   LYS  15           HZ3      LYS  15   7.495   4.192   7.244
  124   3HZ   LYS  15           HZ1      LYS  15   6.459   5.372   6.610
  125    H    SER  16           HN       SER  16   7.778   0.233   2.139
  126    HA   SER  16           HA       SER  16   9.668   2.271   3.137
  127   1HB   SER  16           HB2      SER  16   9.952  -0.678   2.613
  128   2HB   SER  16           HB3      SER  16  11.156   0.342   3.387
  129    HG   SER  16           HG       SER  16   9.917  -0.601   5.003
  130    H    LEU  17           HN       LEU  17   8.685   1.621   0.046
  131    HA   LEU  17           HA       LEU  17  11.511   1.693  -0.881
  132   1HB   LEU  17           HB2      LEU  17  10.987   0.330  -2.675
  133   2HB   LEU  17           HB3      LEU  17   9.910  -0.265  -1.424
  134    HG   LEU  17           HG       LEU  17   8.184   1.376  -2.413
  135   1HD1  LEU  17           HD11     LEU  17  10.534   1.722  -4.073
  136   2HD1  LEU  17           HD12     LEU  17   9.177   1.170  -5.068
  137   3HD1  LEU  17           HD13     LEU  17   9.037   2.650  -4.111
  138   1HD2  LEU  17           HD22     LEU  17   8.821  -1.257  -2.617
  139   2HD2  LEU  17           HD23     LEU  17   7.393  -0.600  -3.399
  140   3HD2  LEU  17           HD21     LEU  17   8.886  -0.807  -4.320
  141    H    GLY  18           HN       GLY  18   8.381   3.314  -1.429
  142   1HA   GLY  18           HA1      GLY  18   9.194   5.839  -1.765
  143   2HA   GLY  18           HA2      GLY  18   9.810   5.151  -3.268
  144    H    ASN  19           HN       ASN  19   7.464   3.250  -3.314
  145    HA   ASN  19           HA       ASN  19   5.678   4.830  -4.944
  146   1HB   ASN  19           HB2      ASN  19   4.922   2.183  -3.889
  147   2HB   ASN  19           HB3      ASN  19   4.744   2.853  -5.444
  148   1HD2  ASN  19           HD22     ASN  19   7.487   0.222  -5.319
  149   2HD2  ASN  19           HD21     ASN  19   5.952   0.256  -4.586
  150    H    CYS  20           HN       CYS  20   5.862   4.257  -1.575
  151    HA   CYS  20           HA       CYS  20   3.441   3.698  -0.506
  152   1HB   CYS  20           HB2      CYS  20   4.687   4.515   1.218
  153   2HB   CYS  20           HB3      CYS  20   5.441   5.769   0.214
  154    H    ARG  21           HN       ARG  21   4.206   6.811  -2.009
  155    HA   ARG  21           HA       ARG  21   1.253   7.298  -2.309
  156   1HB   ARG  21           HB2      ARG  21   3.234   8.817  -0.961
  157   2HB   ARG  21           HB3      ARG  21   2.629   9.737  -2.343
  158   1HG   ARG  21           HG2      ARG  21   0.562  10.004  -1.433
  159   2HG   ARG  21           HG3      ARG  21   0.503   8.321  -0.900
  160   1HD   ARG  21           HD2      ARG  21   0.476   9.667   1.092
  161   2HD   ARG  21           HD3      ARG  21   2.091   8.968   0.972
  162    HE   ARG  21           HE       ARG  21   2.935  11.150   0.713
  163   1HH1  ARG  21           HH22     ARG  21   1.982  12.311  -1.598
  164   2HH1  ARG  21           HH21     ARG  21   0.760  13.444  -1.126
  165   1HH2  ARG  21           HH12     ARG  21   0.312  12.053   2.018
  166   2HH2  ARG  21           HH11     ARG  21  -0.186  13.297   0.920
  167    H    THR  22           HN       THR  22   4.044   6.754  -4.072
  168    HA   THR  22           HA       THR  22   3.274   8.683  -6.197
  169    HB   THR  22           HB       THR  22   5.528   7.510  -7.162
  170    HG1  THR  22           HG1      THR  22   6.416   7.794  -4.628
  171   1HG2  THR  22           HG21     THR  22   5.230   9.797  -5.211
  172   2HG2  THR  22           HG22     THR  22   6.727   9.453  -6.079
  173   3HG2  THR  22           HG23     THR  22   5.268   9.883  -6.973
  174    H    SER  23           HN       SER  23   2.798   5.394  -5.354
  175    HA   SER  23           HA       SER  23   2.385   4.773  -8.241
  176   1HB   SER  23           HB2      SER  23   3.941   3.236  -7.189
  177   2HB   SER  23           HB3      SER  23   2.917   3.076  -5.780
  178    HG   SER  23           HG       SER  23   2.224   2.306  -8.442
  179    H    GLN  24           HN       GLN  24   0.154   3.324  -8.434
  180    HA   GLN  24           HA       GLN  24  -1.708   4.863  -6.728
  181   1HB   GLN  24           HB2      GLN  24  -2.339   3.135  -9.126
  182   2HB   GLN  24           HB3      GLN  24  -3.485   4.159  -8.258
  183   1HG   GLN  24           HG2      GLN  24  -0.982   5.470  -9.175
  184   2HG   GLN  24           HG3      GLN  24  -2.140   5.021 -10.429
  185   1HE2  GLN  24           HE22     GLN  24  -3.551   8.216  -9.655
  186   2HE2  GLN  24           HE21     GLN  24  -2.531   7.396 -10.735
  187    H    LYS  25           HN       LYS  25  -1.426   1.342  -7.601
  188    HA   LYS  25           HA       LYS  25  -3.402   0.636  -5.601
  189   1HB   LYS  25           HB2      LYS  25  -1.920  -0.698  -7.584
  190   2HB   LYS  25           HB3      LYS  25  -1.369  -1.401  -6.060
  191   1HG   LYS  25           HG2      LYS  25  -3.371  -2.367  -5.616
  192   2HG   LYS  25           HG3      LYS  25  -4.277  -0.992  -6.252
  193   1HD   LYS  25           HD2      LYS  25  -4.080  -1.745  -8.490
  194   2HD   LYS  25           HD3      LYS  25  -2.797  -2.887  -8.082
  195   1HE   LYS  25           HE2      LYS  25  -4.584  -3.984  -6.537
  196   2HE   LYS  25           HE3      LYS  25  -5.746  -3.090  -7.518
  197   1HZ   LYS  25           HZ3      LYS  25  -4.127  -4.172  -9.378
  198   2HZ   LYS  25           HZ1      LYS  25  -4.145  -5.391  -8.201
  199   3HZ   LYS  25           HZ2      LYS  25  -5.607  -4.840  -8.872
  200    H    TYR  26           HN       TYR  26  -0.003   0.791  -5.809
  201    HA   TYR  26           HA       TYR  26   1.091  -0.147  -3.401
  202   1HB   TYR  26           HB2      TYR  26   1.619   1.758  -5.552
  203   2HB   TYR  26           HB3      TYR  26   2.723   1.797  -4.169
  204    HD1  TYR  26           HD1      TYR  26   1.069  -1.403  -4.747
  205    HD2  TYR  26           HD2      TYR  26   4.449   1.014  -5.833
  206    HE1  TYR  26           HE1      TYR  26   2.201  -3.380  -5.558
  207    HE2  TYR  26           HE2      TYR  26   5.622  -0.982  -6.662
  208    HH   TYR  26           HH       TYR  26   4.624  -3.449  -7.599
  209    H    ARG  27           HN       ARG  27  -0.707   2.882  -3.935
  210    HA   ARG  27           HA       ARG  27   0.220   3.832  -1.269
  211   1HB   ARG  27           HB2      ARG  27  -0.121   6.062  -2.038
  212   2HB   ARG  27           HB3      ARG  27   0.434   5.228  -3.492
  213   1HG   ARG  27           HG2      ARG  27  -1.757   5.030  -4.329
  214   2HG   ARG  27           HG3      ARG  27  -2.479   5.598  -2.796
  215   1HD   ARG  27           HD2      ARG  27  -0.717   7.200  -4.679
  216   2HD   ARG  27           HD3      ARG  27  -2.451   7.418  -4.447
  217    HE   ARG  27           HE       ARG  27  -0.334   8.254  -2.574
  218   1HH1  ARG  27           HH22     ARG  27  -2.796   6.763  -1.357
  219   2HH1  ARG  27           HH21     ARG  27  -3.752   8.123  -0.870
  220   1HH2  ARG  27           HH12     ARG  27  -1.937  10.406  -2.745
  221   2HH2  ARG  27           HH11     ARG  27  -3.266  10.186  -1.657
  222    H    ALA  28           HN       ALA  28  -2.618   3.462  -3.315
  223    HA   ALA  28           HA       ALA  28  -4.471   3.812  -1.053
  224   1HB   ALA  28           HB2      ALA  28  -4.911   3.144  -3.986
  225   2HB   ALA  28           HB3      ALA  28  -6.216   3.332  -2.815
  226   3HB   ALA  28           HB1      ALA  28  -5.181   4.705  -3.209
  227    H    ASN  29           HN       ASN  29  -3.851   1.218  -3.480
  228    HA   ASN  29           HA       ASN  29  -5.260  -0.747  -1.963
  229   1HB   ASN  29           HB2      ASN  29  -3.343  -0.900  -4.238
  230   2HB   ASN  29           HB3      ASN  29  -3.598  -2.369  -3.301
  231   1HD2  ASN  29           HD22     ASN  29  -6.856  -0.786  -5.269
  232   2HD2  ASN  29           HD21     ASN  29  -5.629   0.260  -4.740
  233    H    CYS  30           HN       CYS  30  -2.313   0.739  -1.383
  234    HA   CYS  30           HA       CYS  30  -1.648  -1.358   0.618
  235   1HB   CYS  30           HB2      CYS  30   0.156   0.082  -1.359
  236   2HB   CYS  30           HB3      CYS  30   0.792  -0.849   0.020
  237    H    ALA  31           HN       ALA  31  -3.238   0.835   0.811
  238    HA   ALA  31           HA       ALA  31  -1.952   3.167   1.910
  239   1HB   ALA  31           HB3      ALA  31  -4.705   2.105   1.487
  240   2HB   ALA  31           HB1      ALA  31  -4.528   3.349   2.722
  241   3HB   ALA  31           HB2      ALA  31  -4.043   3.675   1.054
  242    H    LYS  32           HN       LYS  32  -2.467   0.047   3.099
  243    HA   LYS  32           HA       LYS  32  -2.884   0.804   5.921
  244   1HB   LYS  32           HB2      LYS  32  -3.777  -1.290   5.803
  245   2HB   LYS  32           HB3      LYS  32  -2.975  -1.617   4.271
  246   1HG   LYS  32           HG2      LYS  32  -1.403  -1.655   6.842
  247   2HG   LYS  32           HG3      LYS  32  -2.344  -3.058   6.353
  248   1HD   LYS  32           HD2      LYS  32  -1.034  -2.471   4.024
  249   2HD   LYS  32           HD3      LYS  32   0.167  -1.997   5.223
  250   1HE   LYS  32           HE2      LYS  32  -1.026  -4.705   4.717
  251   2HE   LYS  32           HE3      LYS  32   0.664  -4.280   4.949
  252   1HZ   LYS  32           HZ3      LYS  32  -0.198  -3.561   7.289
  253   2HZ   LYS  32           HZ1      LYS  32  -1.456  -4.643   6.948
  254   3HZ   LYS  32           HZ2      LYS  32   0.154  -5.192   6.960
  255    H    THR  33           HN       THR  33  -0.407   0.053   3.614
  256    HA   THR  33           HA       THR  33   1.748  -0.283   5.575
  257    HB   THR  33           HB       THR  33   1.031  -1.226   3.069
  258    HG1  THR  33           HG1      THR  33   2.284  -2.137   4.792
  259   1HG2  THR  33           HG22     THR  33   2.532   1.065   2.506
  260   2HG2  THR  33           HG23     THR  33   3.681  -0.289   2.437
  261   3HG2  THR  33           HG21     THR  33   2.244  -0.298   1.433
  262    H    CYS  34           HN       CYS  34   0.287   2.240   3.794
  263    HA   CYS  34           HA       CYS  34   2.540   3.992   4.698
  264   1HB   CYS  34           HB2      CYS  34   1.931   3.759   2.086
  265   2HB   CYS  34           HB3      CYS  34   0.754   4.948   2.531
  266    H    GLU  35           HN       GLU  35  -0.632   3.219   5.315
  267    HA   GLU  35           HA       GLU  35  -2.249   4.228   6.563
  268   1HB   GLU  35           HB2      GLU  35  -0.006   6.189   7.074
  269   2HB   GLU  35           HB3      GLU  35  -1.575   6.241   7.925
  270   1HG   GLU  35           HG2      GLU  35  -1.298   4.238   8.952
  271   2HG   GLU  35           HG3      GLU  35  -0.356   3.584   7.613
  272    H    LEU  36           HN       LEU  36  -2.051   4.667   3.788
  273    HA   LEU  36           HA       LEU  36  -3.004   7.392   3.221
  274   1HB   LEU  36           HB2      LEU  36  -2.724   4.850   1.657
  275   2HB   LEU  36           HB3      LEU  36  -3.306   6.292   0.883
  276    HG   LEU  36           HG       LEU  36  -0.704   6.065   2.367
  277   1HD1  LEU  36           HD13     LEU  36  -1.410   5.786  -0.552
  278   2HD1  LEU  36           HD11     LEU  36   0.161   6.438  -0.099
  279   3HD1  LEU  36           HD12     LEU  36  -0.298   4.812   0.408
  280   1HD2  LEU  36           HD23     LEU  36  -2.242   8.300   1.362
  281   2HD2  LEU  36           HD21     LEU  36  -0.764   8.321   2.323
  282   3HD2  LEU  36           HD22     LEU  36  -0.671   8.237   0.563
  283    H    CYS  37           HN       CYS  37  -4.284   4.552   4.600
  284    HA   CYS  37           HA       CYS  37  -6.789   4.284   3.302
  285   1HB   CYS  37           HB2      CYS  37  -6.711   2.623   4.847
  286   2HB   CYS  37           HB3      CYS  37  -5.613   3.531   5.886
   
  No H/Q in entry =         286
  Start of MODEL    5
    1   1H    VAL   1           HN2      VAL   1 -13.923   2.540   1.362
    2   2H    VAL   1           HN       VAL   1 -14.969   1.222   1.604
    3   3H    VAL   1           HN3      VAL   1 -15.153   2.626   2.533
    4    HA   VAL   1           HA       VAL   1 -13.495   2.105   3.945
    5    HB   VAL   1           HB       VAL   1 -13.988  -0.606   2.675
    6   1HG1  VAL   1           HG11     VAL   1 -12.064  -0.182   4.407
    7   2HG1  VAL   1           HG12     VAL   1 -13.384  -0.086   5.573
    8   3HG1  VAL   1           HG13     VAL   1 -13.142  -1.560   4.634
    9   1HG2  VAL   1           HG22     VAL   1 -15.457   0.905   4.862
   10   2HG2  VAL   1           HG23     VAL   1 -16.101   0.462   3.280
   11   3HG2  VAL   1           HG21     VAL   1 -15.735  -0.791   4.467
   12    H    CYS   2           HN       CYS   2 -11.396   2.730   3.692
   13    HA   CYS   2           HA       CYS   2  -9.871   1.827   1.350
   14   1HB   CYS   2           HB2      CYS   2  -8.058   3.271   2.355
   15   2HB   CYS   2           HB3      CYS   2  -9.563   4.131   2.029
   16    H    ARG   3           HN       ARG   3  -7.495   1.060   1.878
   17    HA   ARG   3           HA       ARG   3  -6.476  -0.074   4.112
   18   1HB   ARG   3           HB2      ARG   3  -7.322  -2.497   3.978
   19   2HB   ARG   3           HB3      ARG   3  -8.427  -1.328   4.698
   20   1HG   ARG   3           HG2      ARG   3  -9.962  -1.669   3.090
   21   2HG   ARG   3           HG3      ARG   3  -8.765  -1.414   1.819
   22   1HD   ARG   3           HD2      ARG   3  -9.571  -3.660   1.554
   23   2HD   ARG   3           HD3      ARG   3  -7.956  -3.780   2.251
   24    HE   ARG   3           HE       ARG   3  -9.029  -4.947   3.985
   25   1HH1  ARG   3           HH22     ARG   3  -9.885  -2.820   5.617
   26   2HH1  ARG   3           HH21     ARG   3 -11.615  -2.852   5.561
   27   1HH2  ARG   3           HH12     ARG   3 -11.752  -4.804   2.697
   28   2HH2  ARG   3           HH11     ARG   3 -12.672  -3.976   3.909
   29    H    ASP   4           HN       ASP   4  -5.543  -2.565   3.398
   30    HA   ASP   4           HA       ASP   4  -4.010  -1.898   0.984
   31   1HB   ASP   4           HB2      ASP   4  -2.604  -3.736   1.551
   32   2HB   ASP   4           HB3      ASP   4  -3.081  -3.059   3.110
   33    H    TRP   5           HN       TRP   5  -3.671  -4.211  -0.450
   34    HA   TRP   5           HA       TRP   5  -6.318  -5.439  -0.798
   35   1HB   TRP   5           HB2      TRP   5  -5.240  -3.291  -2.543
   36   2HB   TRP   5           HB3      TRP   5  -5.977  -4.663  -3.386
   37    HD1  TRP   5           HD1      TRP   5  -7.007  -1.460  -1.967
   38    HE1  TRP   5           HE1      TRP   5  -9.497  -1.453  -1.381
   39    HE3  TRP   5           HE3      TRP   5  -7.981  -6.473  -2.175
   40    HZ2  TRP   5           HZ2      TRP   5 -11.648  -3.315  -1.036
   41    HZ3  TRP   5           HZ3      TRP   5 -10.258  -7.322  -1.711
   42    HH2  TRP   5           HH2      TRP   5 -12.092  -5.759  -1.144
   43    H    PHE   6           HN       PHE   6  -2.838  -5.196  -1.816
   44    HA   PHE   6           HA       PHE   6  -2.997  -7.775  -3.207
   45   1HB   PHE   6           HB2      PHE   6  -0.591  -6.226  -2.153
   46   2HB   PHE   6           HB3      PHE   6  -0.573  -7.492  -3.376
   47    HD1  PHE   6           HD1      PHE   6  -3.162  -6.487  -4.766
   48    HD2  PHE   6           HD2      PHE   6   0.467  -4.590  -3.473
   49    HE1  PHE   6           HE1      PHE   6  -3.455  -4.789  -6.479
   50    HE2  PHE   6           HE2      PHE   6   0.197  -2.873  -5.185
   51    HZ   PHE   6           HZ       PHE   6  -1.764  -2.950  -6.706
   52    H    LYS   7           HN       LYS   7  -0.336  -8.516  -1.782
   53    HA   LYS   7           HA       LYS   7  -1.571  -9.716   0.599
   54   1HB   LYS   7           HB2      LYS   7   1.337  -9.620  -0.353
   55   2HB   LYS   7           HB3      LYS   7   0.757 -10.604   0.991
   56   1HG   LYS   7           HG2      LYS   7  -0.304 -10.846  -1.834
   57   2HG   LYS   7           HG3      LYS   7   0.978 -11.866  -1.180
   58   1HD   LYS   7           HD2      LYS   7  -1.015 -11.958   0.769
   59   2HD   LYS   7           HD3      LYS   7  -1.899 -12.036  -0.757
   60   1HE   LYS   7           HE2      LYS   7   0.239 -13.723  -1.215
   61   2HE   LYS   7           HE3      LYS   7  -0.142 -14.032   0.479
   62   1HZ   LYS   7           HZ1      LYS   7  -2.577 -13.907  -0.724
   63   2HZ   LYS   7           HZ2      LYS   7  -1.620 -14.711  -1.876
   64   3HZ   LYS   7           HZ3      LYS   7  -1.758 -15.326  -0.298
   65    H    GLU   8           HN       GLU   8  -1.051  -8.913   2.781
   66    HA   GLU   8           HA       GLU   8  -0.786  -6.123   3.100
   67   1HB   GLU   8           HB2      GLU   8  -0.027  -8.396   4.948
   68   2HB   GLU   8           HB3      GLU   8  -0.070  -6.710   5.459
   69   1HG   GLU   8           HG2      GLU   8  -2.377  -6.571   5.295
   70   2HG   GLU   8           HG3      GLU   8  -2.470  -7.839   4.071
   71    H    THR   9           HN       THR   9   1.752  -8.342   2.221
   72    HA   THR   9           HA       THR   9   3.764  -6.428   3.185
   73    HB   THR   9           HB       THR   9   5.352  -8.223   2.328
   74    HG1  THR   9           HG1      THR   9   3.553  -9.023   0.887
   75   1HG2  THR   9           HG23     THR   9   3.458  -8.123   4.503
   76   2HG2  THR   9           HG21     THR   9   3.900  -9.794   4.144
   77   3HG2  THR   9           HG22     THR   9   5.157  -8.611   4.530
   78    H    ALA  10           HN       ALA  10   2.276  -7.409   0.145
   79    HA   ALA  10           HA       ALA  10   4.094  -6.312  -1.749
   80   1HB   ALA  10           HB2      ALA  10   1.652  -7.286  -2.168
   81   2HB   ALA  10           HB3      ALA  10   1.142  -5.632  -1.839
   82   3HB   ALA  10           HB1      ALA  10   2.209  -5.964  -3.199
   83    H    CYS  11           HN       CYS  11   1.706  -4.964   0.339
   84    HA   CYS  11           HA       CYS  11   1.958  -2.203  -0.337
   85   1HB   CYS  11           HB2      CYS  11   0.970  -3.624   2.191
   86   2HB   CYS  11           HB3      CYS  11   0.512  -1.990   1.648
   87    H    ARG  12           HN       ARG  12   3.113  -3.862   2.621
   88    HA   ARG  12           HA       ARG  12   4.774  -1.958   3.725
   89   1HB   ARG  12           HB2      ARG  12   4.971  -3.854   4.978
   90   2HB   ARG  12           HB3      ARG  12   4.893  -4.919   3.567
   91   1HG   ARG  12           HG2      ARG  12   7.155  -4.598   3.033
   92   2HG   ARG  12           HG3      ARG  12   7.285  -3.151   4.036
   93   1HD   ARG  12           HD2      ARG  12   6.490  -5.602   5.488
   94   2HD   ARG  12           HD3      ARG  12   8.128  -5.621   4.834
   95    HE   ARG  12           HE       ARG  12   7.123  -3.491   6.680
   96   1HH1  ARG  12           HH22     ARG  12   9.748  -3.722   4.827
   97   2HH1  ARG  12           HH21     ARG  12  10.918  -3.927   6.087
   98   1HH2  ARG  12           HH12     ARG  12   8.553  -4.530   8.549
   99   2HH2  ARG  12           HH11     ARG  12  10.241  -4.384   8.195
  100    H    HIS  13           HN       HIS  13   5.341  -3.633   0.678
  101    HA   HIS  13           HA       HIS  13   8.126  -2.838   0.540
  102   1HB   HIS  13           HB2      HIS  13   6.740  -4.572  -0.941
  103   2HB   HIS  13           HB3      HIS  13   6.384  -3.142  -1.913
  104    HD1  HIS  13           HD1      HIS  13   7.968  -3.089  -3.835
  105    HD2  HIS  13           HD2      HIS  13   9.861  -4.307  -0.327
  106    HE1  HIS  13           HE1      HIS  13  10.411  -3.376  -4.409
  107    H    ALA  14           HN       ALA  14   5.203  -1.656  -1.121
  108    HA   ALA  14           HA       ALA  14   6.207   0.746  -2.121
  109   1HB   ALA  14           HB1      ALA  14   3.455   0.185  -1.005
  110   2HB   ALA  14           HB2      ALA  14   3.878   1.623  -1.965
  111   3HB   ALA  14           HB3      ALA  14   3.993   0.021  -2.681
  112    H    LYS  15           HN       LYS  15   5.072   0.373   1.330
  113    HA   LYS  15           HA       LYS  15   5.508   3.176   1.846
  114   1HB   LYS  15           HB2      LYS  15   4.253   2.268   3.549
  115   2HB   LYS  15           HB3      LYS  15   5.059   0.713   3.488
  116   1HG   LYS  15           HG2      LYS  15   5.616   1.854   5.546
  117   2HG   LYS  15           HG3      LYS  15   7.049   1.699   4.533
  118   1HD   LYS  15           HD2      LYS  15   7.166   3.967   4.109
  119   2HD   LYS  15           HD3      LYS  15   5.419   4.186   4.246
  120   1HE   LYS  15           HE2      LYS  15   7.001   3.415   6.676
  121   2HE   LYS  15           HE3      LYS  15   6.984   5.097   6.147
  122   1HZ   LYS  15           HZ3      LYS  15   4.385   4.431   5.998
  123   2HZ   LYS  15           HZ1      LYS  15   4.879   3.512   7.332
  124   3HZ   LYS  15           HZ2      LYS  15   5.109   5.196   7.333
  125    H    SER  16           HN       SER  16   7.603   0.240   2.447
  126    HA   SER  16           HA       SER  16   9.878   1.939   3.201
  127   1HB   SER  16           HB2      SER  16   9.513  -1.010   2.790
  128   2HB   SER  16           HB3      SER  16  10.995  -0.263   3.367
  129    HG   SER  16           HG       SER  16   8.415  -0.340   4.564
  130    H    LEU  17           HN       LEU  17   8.686   1.498   0.169
  131    HA   LEU  17           HA       LEU  17  11.415   0.906  -0.868
  132   1HB   LEU  17           HB2      LEU  17  10.524  -0.318  -2.637
  133   2HB   LEU  17           HB3      LEU  17   9.438  -0.681  -1.306
  134    HG   LEU  17           HG       LEU  17   7.995   1.211  -2.179
  135   1HD1  LEU  17           HD13     LEU  17  10.219   1.460  -3.893
  136   2HD1  LEU  17           HD11     LEU  17   8.926   0.800  -4.902
  137   3HD1  LEU  17           HD12     LEU  17   8.680   2.319  -4.032
  138   1HD2  LEU  17           HD22     LEU  17   8.065  -1.420  -2.372
  139   2HD2  LEU  17           HD23     LEU  17   6.820  -0.556  -3.244
  140   3HD2  LEU  17           HD21     LEU  17   8.282  -1.088  -4.086
  141    H    GLY  18           HN       GLY  18   8.717   3.168  -1.328
  142   1HA   GLY  18           HA1      GLY  18  10.148   5.406  -1.873
  143   2HA   GLY  18           HA2      GLY  18  10.265   4.555  -3.417
  144    H    ASN  19           HN       ASN  19   7.567   3.332  -2.949
  145    HA   ASN  19           HA       ASN  19   6.081   5.400  -4.245
  146   1HB   ASN  19           HB2      ASN  19   4.580   2.945  -3.362
  147   2HB   ASN  19           HB3      ASN  19   4.645   3.779  -4.829
  148   1HD2  ASN  19           HD22     ASN  19   6.713   0.518  -4.767
  149   2HD2  ASN  19           HD21     ASN  19   5.368   0.867  -3.787
  150    H    CYS  20           HN       CYS  20   4.941   3.603  -1.343
  151    HA   CYS  20           HA       CYS  20   3.365   4.433   0.229
  152   1HB   CYS  20           HB2      CYS  20   5.806   4.843   1.051
  153   2HB   CYS  20           HB3      CYS  20   5.369   6.537   0.760
  154    H    ARG  21           HN       ARG  21   2.061   5.365  -1.503
  155    HA   ARG  21           HA       ARG  21   0.380   7.081  -1.759
  156   1HB   ARG  21           HB2      ARG  21   1.730   8.177   0.197
  157   2HB   ARG  21           HB3      ARG  21   2.286   9.225  -1.119
  158   1HG   ARG  21           HG2      ARG  21  -0.613   8.665  -1.141
  159   2HG   ARG  21           HG3      ARG  21  -0.073   9.629   0.239
  160   1HD   ARG  21           HD2      ARG  21   1.262  10.949  -1.635
  161   2HD   ARG  21           HD3      ARG  21   0.001  10.291  -2.679
  162    HE   ARG  21           HE       ARG  21  -1.607  11.635  -1.528
  163   1HH1  ARG  21           HH12     ARG  21   1.461  12.808  -1.124
  164   2HH1  ARG  21           HH11     ARG  21   1.148  13.685   0.337
  165   1HH2  ARG  21           HH22     ARG  21  -1.996  12.304   0.807
  166   2HH2  ARG  21           HH21     ARG  21  -0.808  13.400   1.429
  167    H    THR  22           HN       THR  22   3.284   6.671  -3.285
  168    HA   THR  22           HA       THR  22   2.669   8.804  -5.276
  169    HB   THR  22           HB       THR  22   4.886   8.840  -5.959
  170    HG1  THR  22           HG1      THR  22   6.273   7.101  -5.686
  171   1HG2  THR  22           HG21     THR  22   4.599   8.429  -3.043
  172   2HG2  THR  22           HG22     THR  22   6.229   8.226  -3.676
  173   3HG2  THR  22           HG23     THR  22   5.366   9.738  -3.939
  174    H    SER  23           HN       SER  23   1.877   5.624  -4.860
  175    HA   SER  23           HA       SER  23   1.967   5.237  -7.816
  176   1HB   SER  23           HB2      SER  23   2.955   3.510  -5.642
  177   2HB   SER  23           HB3      SER  23   1.770   2.686  -6.653
  178    HG   SER  23           HG       SER  23   4.239   3.883  -7.342
  179    H    GLN  24           HN       GLN  24  -0.065   4.160  -8.634
  180    HA   GLN  24           HA       GLN  24  -2.323   5.170  -7.180
  181   1HB   GLN  24           HB2      GLN  24  -2.486   3.061  -9.334
  182   2HB   GLN  24           HB3      GLN  24  -3.690   4.280  -8.908
  183   1HG   GLN  24           HG2      GLN  24  -1.217   5.605  -9.500
  184   2HG   GLN  24           HG3      GLN  24  -1.604   4.504 -10.825
  185   1HE2  GLN  24           HE22     GLN  24  -3.607   7.219 -11.986
  186   2HE2  GLN  24           HE21     GLN  24  -2.133   6.404 -12.195
  187    H    LYS  25           HN       LYS  25  -1.821   1.685  -7.986
  188    HA   LYS  25           HA       LYS  25  -3.656   0.879  -5.959
  189   1HB   LYS  25           HB2      LYS  25  -2.090  -0.414  -7.882
  190   2HB   LYS  25           HB3      LYS  25  -1.523  -1.071  -6.340
  191   1HG   LYS  25           HG2      LYS  25  -3.435  -2.205  -6.000
  192   2HG   LYS  25           HG3      LYS  25  -4.413  -0.793  -6.348
  193   1HD   LYS  25           HD2      LYS  25  -4.487  -1.242  -8.661
  194   2HD   LYS  25           HD3      LYS  25  -3.100  -2.332  -8.585
  195   1HE   LYS  25           HE2      LYS  25  -4.874  -3.522  -6.842
  196   2HE   LYS  25           HE3      LYS  25  -5.941  -2.895  -8.098
  197   1HZ   LYS  25           HZ2      LYS  25  -3.498  -4.236  -8.960
  198   2HZ   LYS  25           HZ3      LYS  25  -4.731  -5.216  -8.318
  199   3HZ   LYS  25           HZ1      LYS  25  -5.045  -4.239  -9.665
  200    H    TYR  26           HN       TYR  26  -0.077   0.854  -5.840
  201    HA   TYR  26           HA       TYR  26   0.453   0.102  -3.255
  202   1HB   TYR  26           HB2      TYR  26   1.527   2.402  -4.819
  203   2HB   TYR  26           HB3      TYR  26   2.233   1.887  -3.290
  204    HD1  TYR  26           HD2      TYR  26   0.827  -1.057  -4.578
  205    HD2  TYR  26           HD1      TYR  26   4.119   1.643  -5.277
  206    HE1  TYR  26           HE2      TYR  26   2.006  -2.811  -5.647
  207    HE2  TYR  26           HE1      TYR  26   5.344  -0.190  -6.394
  208    HH   TYR  26           HH       TYR  26   4.214  -2.663  -7.664
  209    H    ARG  27           HN       ARG  27  -0.592   3.456  -4.198
  210    HA   ARG  27           HA       ARG  27  -0.514   4.327  -1.493
  211   1HB   ARG  27           HB2      ARG  27  -1.257   6.411  -2.256
  212   2HB   ARG  27           HB3      ARG  27  -0.609   5.721  -3.753
  213   1HG   ARG  27           HG2      ARG  27  -2.795   5.041  -4.415
  214   2HG   ARG  27           HG3      ARG  27  -3.484   5.608  -2.863
  215   1HD   ARG  27           HD2      ARG  27  -2.535   7.156  -5.235
  216   2HD   ARG  27           HD3      ARG  27  -3.909   7.472  -4.174
  217    HE   ARG  27           HE       ARG  27  -1.086   7.957  -3.300
  218   1HH1  ARG  27           HH22     ARG  27  -2.884   8.361  -1.114
  219   2HH1  ARG  27           HH21     ARG  27  -3.412  10.002  -1.273
  220   1HH2  ARG  27           HH12     ARG  27  -2.421  10.277  -4.585
  221   2HH2  ARG  27           HH11     ARG  27  -3.148  11.088  -3.240
  222    H    ALA  28           HN       ALA  28  -3.328   3.480  -3.541
  223    HA   ALA  28           HA       ALA  28  -5.087   3.504  -1.184
  224   1HB   ALA  28           HB1      ALA  28  -5.454   3.642  -3.995
  225   2HB   ALA  28           HB2      ALA  28  -6.216   2.139  -3.477
  226   3HB   ALA  28           HB3      ALA  28  -6.712   3.671  -2.759
  227    H    ASN  29           HN       ASN  29  -4.435   1.010  -3.626
  228    HA   ASN  29           HA       ASN  29  -5.231  -1.229  -2.165
  229   1HB   ASN  29           HB2      ASN  29  -3.443  -0.766  -4.469
  230   2HB   ASN  29           HB3      ASN  29  -3.270  -2.320  -3.643
  231   1HD2  ASN  29           HD22     ASN  29  -7.009  -1.482  -5.162
  232   2HD2  ASN  29           HD21     ASN  29  -6.089  -0.216  -4.503
  233    H    CYS  30           HN       CYS  30  -2.468   0.696  -1.458
  234    HA   CYS  30           HA       CYS  30  -1.802  -1.345   0.574
  235   1HB   CYS  30           HB2      CYS  30   0.149  -0.150  -1.432
  236   2HB   CYS  30           HB3      CYS  30   0.683  -0.900   0.080
  237    H    ALA  31           HN       ALA  31  -3.307   0.674   0.941
  238    HA   ALA  31           HA       ALA  31  -2.015   3.103   1.863
  239   1HB   ALA  31           HB1      ALA  31  -4.690   2.068   1.340
  240   2HB   ALA  31           HB2      ALA  31  -4.631   3.039   2.812
  241   3HB   ALA  31           HB3      ALA  31  -4.101   3.730   1.277
  242    H    LYS  32           HN       LYS  32  -2.212   0.052   3.168
  243    HA   LYS  32           HA       LYS  32  -2.750   0.794   5.975
  244   1HB   LYS  32           HB2      LYS  32  -2.659  -1.525   6.389
  245   2HB   LYS  32           HB3      LYS  32  -3.280  -1.437   4.739
  246   1HG   LYS  32           HG2      LYS  32  -1.065  -1.912   3.844
  247   2HG   LYS  32           HG3      LYS  32  -0.366  -1.863   5.456
  248   1HD   LYS  32           HD2      LYS  32  -2.353  -3.741   5.756
  249   2HD   LYS  32           HD3      LYS  32  -1.801  -4.038   4.104
  250   1HE   LYS  32           HE2      LYS  32   0.138  -4.963   4.843
  251   2HE   LYS  32           HE3      LYS  32   0.456  -3.543   5.834
  252   1HZ   LYS  32           HZ2      LYS  32  -1.453  -5.654   6.641
  253   2HZ   LYS  32           HZ3      LYS  32   0.190  -5.674   7.079
  254   3HZ   LYS  32           HZ1      LYS  32  -0.806  -4.409   7.600
  255    H    THR  33           HN       THR  33  -0.284  -0.190   3.875
  256    HA   THR  33           HA       THR  33   2.026  -0.168   5.663
  257    HB   THR  33           HB       THR  33   1.229  -1.065   3.075
  258    HG1  THR  33           HG1      THR  33   2.065  -2.412   4.480
  259   1HG2  THR  33           HG23     THR  33   3.135   1.021   2.722
  260   2HG2  THR  33           HG21     THR  33   3.995  -0.518   2.619
  261   3HG2  THR  33           HG22     THR  33   2.621  -0.199   1.577
  262    H    CYS  34           HN       CYS  34   0.554   2.107   3.490
  263    HA   CYS  34           HA       CYS  34   2.709   4.098   4.069
  264   1HB   CYS  34           HB2      CYS  34   1.811   3.630   1.706
  265   2HB   CYS  34           HB3      CYS  34   0.350   4.435   2.227
  266    H    GLU  35           HN       GLU  35  -0.453   3.144   5.015
  267    HA   GLU  35           HA       GLU  35  -1.972   4.020   6.462
  268   1HB   GLU  35           HB2      GLU  35   0.286   5.986   6.951
  269   2HB   GLU  35           HB3      GLU  35  -1.223   5.973   7.901
  270   1HG   GLU  35           HG2      GLU  35  -0.991   3.650   8.412
  271   2HG   GLU  35           HG3      GLU  35   0.445   3.519   7.403
  272    H    LEU  36           HN       LEU  36  -1.870   4.592   3.747
  273    HA   LEU  36           HA       LEU  36  -2.919   7.299   3.299
  274   1HB   LEU  36           HB2      LEU  36  -2.632   4.847   1.595
  275   2HB   LEU  36           HB3      LEU  36  -3.119   6.364   0.909
  276    HG   LEU  36           HG       LEU  36  -0.569   6.035   2.506
  277   1HD1  LEU  36           HD13     LEU  36  -1.021   5.888  -0.484
  278   2HD1  LEU  36           HD11     LEU  36   0.569   6.023   0.262
  279   3HD1  LEU  36           HD12     LEU  36  -0.431   4.592   0.538
  280   1HD2  LEU  36           HD22     LEU  36  -1.572   8.332   2.234
  281   2HD2  LEU  36           HD23     LEU  36   0.022   8.170   1.494
  282   3HD2  LEU  36           HD21     LEU  36  -1.425   8.135   0.486
  283    H    CYS  37           HN       CYS  37  -4.114   4.443   4.647
  284    HA   CYS  37           HA       CYS  37  -6.787   4.729   3.395
  285   1HB   CYS  37           HB2      CYS  37  -6.213   2.450   3.628
  286   2HB   CYS  37           HB3      CYS  37  -5.519   2.697   5.231
   
  No H/Q in entry =         286
  Start of MODEL    6
    1   1H    VAL   1           HN2      VAL   1 -14.376  -0.324   1.211
    2   2H    VAL   1           HN       VAL   1 -15.540   0.036   2.397
    3   3H    VAL   1           HN3      VAL   1 -14.895   1.279   1.444
    4    HA   VAL   1           HA       VAL   1 -13.707   1.548   3.378
    5    HB   VAL   1           HB       VAL   1 -14.718  -0.786   4.134
    6   1HG1  VAL   1           HG13     VAL   1 -13.040  -1.892   2.473
    7   2HG1  VAL   1           HG11     VAL   1 -11.843  -1.588   3.732
    8   3HG1  VAL   1           HG12     VAL   1 -13.240  -2.610   4.071
    9   1HG2  VAL   1           HG21     VAL   1 -13.592   0.932   5.572
   10   2HG2  VAL   1           HG22     VAL   1 -13.231  -0.719   6.074
   11   3HG2  VAL   1           HG23     VAL   1 -12.038   0.206   5.163
   12    H    CYS   2           HN       CYS   2 -11.315   1.417   3.711
   13    HA   CYS   2           HA       CYS   2  -9.979   0.547   1.188
   14   1HB   CYS   2           HB2      CYS   2  -8.208   2.294   1.942
   15   2HB   CYS   2           HB3      CYS   2  -9.728   2.893   1.279
   16    H    ARG   3           HN       ARG   3  -7.534   0.005   1.608
   17    HA   ARG   3           HA       ARG   3  -6.272  -0.567   3.952
   18   1HB   ARG   3           HB2      ARG   3  -6.935  -3.060   4.274
   19   2HB   ARG   3           HB3      ARG   3  -8.002  -1.828   4.947
   20   1HG   ARG   3           HG2      ARG   3  -9.695  -2.644   3.719
   21   2HG   ARG   3           HG3      ARG   3  -8.810  -2.233   2.252
   22   1HD   ARG   3           HD2      ARG   3  -9.412  -4.646   2.340
   23   2HD   ARG   3           HD3      ARG   3  -7.669  -4.391   2.288
   24    HE   ARG   3           HE       ARG   3  -8.743  -4.624   5.001
   25   1HH1  ARG   3           HH12     ARG   3  -8.585  -6.729   2.396
   26   2HH1  ARG   3           HH11     ARG   3  -7.571  -7.898   3.173
   27   1HH2  ARG   3           HH22     ARG   3  -6.954  -5.911   5.947
   28   2HH2  ARG   3           HH21     ARG   3  -6.647  -7.435   5.185
   29    H    ASP   4           HN       ASP   4  -4.752  -2.574   3.733
   30    HA   ASP   4           HA       ASP   4  -3.380  -2.477   1.290
   31   1HB   ASP   4           HB2      ASP   4  -2.250  -4.512   1.975
   32   2HB   ASP   4           HB3      ASP   4  -2.558  -3.560   3.428
   33    H    TRP   5           HN       TRP   5  -3.252  -4.341  -0.390
   34    HA   TRP   5           HA       TRP   5  -5.863  -5.772  -0.628
   35   1HB   TRP   5           HB2      TRP   5  -4.855  -3.641  -2.439
   36   2HB   TRP   5           HB3      TRP   5  -5.660  -5.030  -3.183
   37    HD1  TRP   5           HD1      TRP   5  -6.410  -1.861  -1.523
   38    HE1  TRP   5           HE1      TRP   5  -8.906  -1.705  -0.875
   39    HE3  TRP   5           HE3      TRP   5  -7.762  -6.711  -2.199
   40    HZ2  TRP   5           HZ2      TRP   5 -11.185  -3.442  -0.672
   41    HZ3  TRP   5           HZ3      TRP   5 -10.091  -7.447  -1.774
   42    HH2  TRP   5           HH2      TRP   5 -11.800  -5.826  -1.015
   43    H    PHE   6           HN       PHE   6  -2.350  -5.634  -1.354
   44    HA   PHE   6           HA       PHE   6  -2.580  -7.838  -3.263
   45   1HB   PHE   6           HB2      PHE   6  -0.255  -6.541  -1.758
   46   2HB   PHE   6           HB3      PHE   6  -0.062  -7.745  -3.047
   47    HD1  PHE   6           HD2      PHE   6  -1.496  -7.219  -5.216
   48    HD2  PHE   6           HD1      PHE   6  -0.145  -4.304  -2.367
   49    HE1  PHE   6           HE2      PHE   6  -1.707  -5.464  -6.916
   50    HE2  PHE   6           HE1      PHE   6  -0.348  -2.546  -4.051
   51    HZ   PHE   6           HZ       PHE   6  -1.128  -3.115  -6.329
   52    H    LYS   7           HN       LYS   7  -0.094  -8.982  -1.578
   53    HA   LYS   7           HA       LYS   7  -1.869 -10.501   0.250
   54   1HB   LYS   7           HB2      LYS   7   1.096 -10.793  -0.337
   55   2HB   LYS   7           HB3      LYS   7   0.174 -11.870   0.714
   56   1HG   LYS   7           HG2      LYS   7  -0.463 -11.363  -2.205
   57   2HG   LYS   7           HG3      LYS   7   0.408 -12.773  -1.599
   58   1HD   LYS   7           HD2      LYS   7  -1.566 -13.274  -0.124
   59   2HD   LYS   7           HD3      LYS   7  -2.441 -11.979  -0.945
   60   1HE   LYS   7           HE2      LYS   7  -2.756 -14.389  -1.837
   61   2HE   LYS   7           HE3      LYS   7  -2.434 -13.113  -3.011
   62   1HZ   LYS   7           HZ2      LYS   7  -0.326 -14.819  -1.810
   63   2HZ   LYS   7           HZ3      LYS   7  -1.066 -15.149  -3.304
   64   3HZ   LYS   7           HZ1      LYS   7  -0.157 -13.734  -3.108
   65    H    GLU   8           HN       GLU   8  -1.461  -7.693   0.894
   66    HA   GLU   8           HA       GLU   8  -1.140  -6.369   2.733
   67   1HB   GLU   8           HB2      GLU   8  -1.684  -8.875   3.646
   68   2HB   GLU   8           HB3      GLU   8  -0.206  -8.475   4.532
   69   1HG   GLU   8           HG2      GLU   8  -1.787  -6.138   4.576
   70   2HG   GLU   8           HG3      GLU   8  -2.898  -7.464   4.922
   71    H    THR   9           HN       THR   9   1.585  -8.385   1.723
   72    HA   THR   9           HA       THR   9   3.357  -6.543   3.202
   73    HB   THR   9           HB       THR   9   5.075  -8.297   2.625
   74    HG1  THR   9           HG1      THR   9   3.281 -10.188   1.980
   75   1HG2  THR   9           HG23     THR   9   2.779  -8.372   4.337
   76   2HG2  THR   9           HG21     THR   9   3.214 -10.020   3.881
   77   3HG2  THR   9           HG22     THR   9   4.409  -8.975   4.657
   78    H    ALA  10           HN       ALA  10   2.348  -7.534  -0.016
   79    HA   ALA  10           HA       ALA  10   4.343  -6.337  -1.665
   80   1HB   ALA  10           HB1      ALA  10   1.982  -7.441  -2.323
   81   2HB   ALA  10           HB2      ALA  10   1.408  -5.781  -2.155
   82   3HB   ALA  10           HB3      ALA  10   2.656  -6.163  -3.339
   83    H    CYS  11           HN       CYS  11   1.605  -5.150   0.108
   84    HA   CYS  11           HA       CYS  11   1.754  -2.401  -0.551
   85   1HB   CYS  11           HB2      CYS  11   0.706  -3.943   1.859
   86   2HB   CYS  11           HB3      CYS  11   0.459  -2.196   1.661
   87    H    ARG  12           HN       ARG  12   2.739  -3.698   2.609
   88    HA   ARG  12           HA       ARG  12   4.268  -1.748   3.657
   89   1HB   ARG  12           HB2      ARG  12   4.507  -3.564   5.008
   90   2HB   ARG  12           HB3      ARG  12   4.595  -4.697   3.648
   91   1HG   ARG  12           HG2      ARG  12   6.836  -4.143   3.170
   92   2HG   ARG  12           HG3      ARG  12   6.805  -2.725   4.220
   93   1HD   ARG  12           HD2      ARG  12   6.125  -5.229   5.609
   94   2HD   ARG  12           HD3      ARG  12   7.765  -5.207   4.961
   95    HE   ARG  12           HE       ARG  12   8.251  -3.813   6.789
   96   1HH1  ARG  12           HH12     ARG  12   5.134  -4.085   7.393
   97   2HH1  ARG  12           HH11     ARG  12   4.778  -2.417   7.691
   98   1HH2  ARG  12           HH22     ARG  12   7.782  -1.271   6.391
   99   2HH2  ARG  12           HH21     ARG  12   6.278  -0.823   7.124
  100    H    HIS  13           HN       HIS  13   5.193  -3.662   0.835
  101    HA   HIS  13           HA       HIS  13   7.937  -2.944   0.672
  102   1HB   HIS  13           HB2      HIS  13   6.265  -4.415  -0.889
  103   2HB   HIS  13           HB3      HIS  13   6.441  -2.946  -1.881
  104    HD1  HIS  13           HD1      HIS  13   9.292  -2.301  -0.472
  105    HD2  HIS  13           HD2      HIS  13   8.219  -5.699  -2.551
  106    HE1  HIS  13           HE1      HIS  13  11.456  -3.291  -1.303
  107    H    ALA  14           HN       ALA  14   5.192  -1.626  -1.082
  108    HA   ALA  14           HA       ALA  14   6.276   0.665  -2.145
  109   1HB   ALA  14           HB2      ALA  14   3.606  -0.269  -1.503
  110   2HB   ALA  14           HB3      ALA  14   3.724   1.497  -1.508
  111   3HB   ALA  14           HB1      ALA  14   4.220   0.577  -2.934
  112    H    LYS  15           HN       LYS  15   4.633   0.923   1.178
  113    HA   LYS  15           HA       LYS  15   5.381   3.600   1.488
  114   1HB   LYS  15           HB2      LYS  15   3.869   2.333   3.023
  115   2HB   LYS  15           HB3      LYS  15   5.285   1.513   3.707
  116   1HG   LYS  15           HG2      LYS  15   6.141   4.049   3.680
  117   2HG   LYS  15           HG3      LYS  15   4.415   4.303   3.955
  118   1HD   LYS  15           HD2      LYS  15   4.837   3.879   6.152
  119   2HD   LYS  15           HD3      LYS  15   5.046   2.196   5.665
  120   1HE   LYS  15           HE2      LYS  15   7.074   2.589   6.724
  121   2HE   LYS  15           HE3      LYS  15   7.486   2.991   5.057
  122   1HZ   LYS  15           HZ3      LYS  15   6.358   5.211   6.455
  123   2HZ   LYS  15           HZ1      LYS  15   7.749   4.631   7.228
  124   3HZ   LYS  15           HZ2      LYS  15   7.820   5.102   5.596
  125    H    SER  16           HN       SER  16   7.299   0.578   2.364
  126    HA   SER  16           HA       SER  16   9.540   2.288   3.221
  127   1HB   SER  16           HB2      SER  16   8.660  -0.076   4.083
  128   2HB   SER  16           HB3      SER  16   9.798  -0.622   2.858
  129    HG   SER  16           HG       SER  16  10.326   0.218   5.302
  130    H    LEU  17           HN       LEU  17   8.611   1.674   0.156
  131    HA   LEU  17           HA       LEU  17  11.409   1.052  -0.660
  132   1HB   LEU  17           HB2      LEU  17  10.638  -0.330  -2.371
  133   2HB   LEU  17           HB3      LEU  17   9.495  -0.574  -1.063
  134    HG   LEU  17           HG       LEU  17   8.059   1.167  -2.164
  135   1HD1  LEU  17           HD12     LEU  17  10.343   1.382  -3.780
  136   2HD1  LEU  17           HD13     LEU  17   9.154   0.561  -4.799
  137   3HD1  LEU  17           HD11     LEU  17   8.775   2.136  -4.090
  138   1HD2  LEU  17           HD23     LEU  17   8.180  -1.482  -2.177
  139   2HD2  LEU  17           HD21     LEU  17   6.972  -0.681  -3.176
  140   3HD2  LEU  17           HD22     LEU  17   8.471  -1.250  -3.897
  141    H    GLY  18           HN       GLY  18   8.711   3.198  -1.468
  142   1HA   GLY  18           HA1      GLY  18  10.090   5.449  -2.061
  143   2HA   GLY  18           HA2      GLY  18  10.373   4.500  -3.523
  144    H    ASN  19           HN       ASN  19   7.640   3.224  -3.106
  145    HA   ASN  19           HA       ASN  19   6.212   5.124  -4.713
  146   1HB   ASN  19           HB2      ASN  19   4.849   2.606  -3.725
  147   2HB   ASN  19           HB3      ASN  19   4.868   3.361  -5.243
  148   1HD2  ASN  19           HD22     ASN  19   7.273   0.351  -4.892
  149   2HD2  ASN  19           HD21     ASN  19   5.869   0.623  -3.973
  150    H    CYS  20           HN       CYS  20   4.802   3.514  -1.798
  151    HA   CYS  20           HA       CYS  20   3.133   4.455  -0.398
  152   1HB   CYS  20           HB2      CYS  20   5.600   5.106   0.402
  153   2HB   CYS  20           HB3      CYS  20   4.963   6.722   0.084
  154    H    ARG  21           HN       ARG  21   2.956   5.538  -3.175
  155    HA   ARG  21           HA       ARG  21   0.924   7.350  -3.123
  156   1HB   ARG  21           HB2      ARG  21   3.393   8.620  -2.233
  157   2HB   ARG  21           HB3      ARG  21   2.560   9.504  -3.515
  158   1HG   ARG  21           HG2      ARG  21   0.800  10.045  -2.170
  159   2HG   ARG  21           HG3      ARG  21   0.804   8.471  -1.369
  160   1HD   ARG  21           HD2      ARG  21   2.315   9.135   0.242
  161   2HD   ARG  21           HD3      ARG  21   3.097  10.301  -0.825
  162    HE   ARG  21           HE       ARG  21   0.533  10.772   0.624
  163   1HH1  ARG  21           HH22     ARG  21  -0.155  12.744  -0.835
  164   2HH1  ARG  21           HH21     ARG  21   1.014  14.022  -0.772
  165   1HH2  ARG  21           HH12     ARG  21   3.521  12.022   0.546
  166   2HH2  ARG  21           HH11     ARG  21   3.095  13.613   0.010
  167    H    THR  22           HN       THR  22   4.009   6.553  -4.703
  168    HA   THR  22           HA       THR  22   3.211   7.979  -7.150
  169    HB   THR  22           HB       THR  22   5.369   7.462  -7.969
  170    HG1  THR  22           HG1      THR  22   6.587   5.843  -6.564
  171   1HG2  THR  22           HG23     THR  22   5.066   8.608  -5.457
  172   2HG2  THR  22           HG21     THR  22   6.358   7.429  -5.229
  173   3HG2  THR  22           HG22     THR  22   6.512   8.679  -6.464
  174    H    SER  23           HN       SER  23   2.333   5.106  -5.744
  175    HA   SER  23           HA       SER  23   1.783   3.929  -8.427
  176   1HB   SER  23           HB2      SER  23   3.393   2.395  -7.712
  177   2HB   SER  23           HB3      SER  23   3.166   2.822  -6.021
  178    HG   SER  23           HG       SER  23   1.493   1.216  -7.684
  179    H    GLN  24           HN       GLN  24  -0.402   4.177  -8.573
  180    HA   GLN  24           HA       GLN  24  -2.179   4.887  -6.588
  181   1HB   GLN  24           HB2      GLN  24  -2.777   3.223  -9.031
  182   2HB   GLN  24           HB3      GLN  24  -3.984   4.057  -8.051
  183   1HG   GLN  24           HG2      GLN  24  -1.650   5.430  -9.407
  184   2HG   GLN  24           HG3      GLN  24  -3.288   5.375 -10.059
  185   1HE2  GLN  24           HE22     GLN  24  -2.548   8.379  -7.689
  186   2HE2  GLN  24           HE21     GLN  24  -1.473   7.617  -8.758
  187    H    LYS  25           HN       LYS  25  -1.133   1.547  -7.201
  188    HA   LYS  25           HA       LYS  25  -3.248   0.524  -5.424
  189   1HB   LYS  25           HB2      LYS  25  -1.629  -0.539  -7.439
  190   2HB   LYS  25           HB3      LYS  25  -1.036  -1.291  -5.950
  191   1HG   LYS  25           HG2      LYS  25  -3.048  -2.313  -5.478
  192   2HG   LYS  25           HG3      LYS  25  -3.977  -1.073  -6.305
  193   1HD   LYS  25           HD2      LYS  25  -2.191  -2.946  -7.859
  194   2HD   LYS  25           HD3      LYS  25  -3.847  -3.396  -7.447
  195   1HE   LYS  25           HE2      LYS  25  -4.599  -1.219  -8.492
  196   2HE   LYS  25           HE3      LYS  25  -2.951  -1.016  -9.086
  197   1HZ   LYS  25           HZ1      LYS  25  -3.845  -3.623  -9.663
  198   2HZ   LYS  25           HZ2      LYS  25  -4.996  -2.505 -10.227
  199   3HZ   LYS  25           HZ3      LYS  25  -3.378  -2.404 -10.740
  200    H    TYR  26           HN       TYR  26   0.180   0.972  -5.450
  201    HA   TYR  26           HA       TYR  26   1.038  -0.004  -2.910
  202   1HB   TYR  26           HB2      TYR  26   1.928   2.099  -4.814
  203   2HB   TYR  26           HB3      TYR  26   2.832   1.764  -3.348
  204    HD1  TYR  26           HD2      TYR  26   1.153  -1.244  -4.218
  205    HD2  TYR  26           HD1      TYR  26   4.525   1.188  -5.359
  206    HE1  TYR  26           HE2      TYR  26   2.161  -3.154  -5.207
  207    HE2  TYR  26           HE1      TYR  26   5.571  -0.795  -6.390
  208    HH   TYR  26           HH       TYR  26   5.440  -3.014  -6.692
  209    H    ARG  27           HN       ARG  27  -0.659   2.920  -3.827
  210    HA   ARG  27           HA       ARG  27  -0.071   4.088  -1.167
  211   1HB   ARG  27           HB2      ARG  27  -0.152   6.194  -2.123
  212   2HB   ARG  27           HB3      ARG  27   0.242   5.277  -3.579
  213   1HG   ARG  27           HG2      ARG  27  -2.073   5.152  -4.198
  214   2HG   ARG  27           HG3      ARG  27  -2.574   5.969  -2.695
  215   1HD   ARG  27           HD2      ARG  27  -0.561   7.440  -4.251
  216   2HD   ARG  27           HD3      ARG  27  -2.071   7.195  -5.121
  217    HE   ARG  27           HE       ARG  27  -2.875   8.072  -2.612
  218   1HH1  ARG  27           HH12     ARG  27  -2.890   9.537  -5.384
  219   2HH1  ARG  27           HH11     ARG  27  -2.186  11.049  -4.915
  220   1HH2  ARG  27           HH22     ARG  27  -1.039   9.866  -1.862
  221   2HH2  ARG  27           HH21     ARG  27  -1.138  11.236  -2.918
  222    H    ALA  28           HN       ALA  28  -2.633   3.501  -3.527
  223    HA   ALA  28           HA       ALA  28  -4.748   4.020  -1.538
  224   1HB   ALA  28           HB2      ALA  28  -4.917   4.668  -4.006
  225   2HB   ALA  28           HB3      ALA  28  -5.061   2.946  -4.357
  226   3HB   ALA  28           HB1      ALA  28  -6.283   3.751  -3.372
  227    H    ASN  29           HN       ASN  29  -3.703   1.263  -3.621
  228    HA   ASN  29           HA       ASN  29  -5.399  -0.519  -2.164
  229   1HB   ASN  29           HB2      ASN  29  -3.233  -0.978  -4.156
  230   2HB   ASN  29           HB3      ASN  29  -3.720  -2.346  -3.171
  231   1HD2  ASN  29           HD22     ASN  29  -6.580  -0.706  -5.651
  232   2HD2  ASN  29           HD21     ASN  29  -5.362   0.299  -5.028
  233    H    CYS  30           HN       CYS  30  -2.510   0.924  -1.345
  234    HA   CYS  30           HA       CYS  30  -2.025  -1.124   0.772
  235   1HB   CYS  30           HB2      CYS  30   0.002   0.282  -1.001
  236   2HB   CYS  30           HB3      CYS  30   0.428  -0.756   0.378
  237    H    ALA  31           HN       ALA  31  -3.625   0.911   1.118
  238    HA   ALA  31           HA       ALA  31  -2.447   3.340   2.092
  239   1HB   ALA  31           HB2      ALA  31  -5.046   2.202   1.637
  240   2HB   ALA  31           HB3      ALA  31  -5.007   2.941   3.240
  241   3HB   ALA  31           HB1      ALA  31  -4.605   3.903   1.815
  242    H    LYS  32           HN       LYS  32  -2.540   0.209   3.377
  243    HA   LYS  32           HA       LYS  32  -2.782   0.963   6.221
  244   1HB   LYS  32           HB2      LYS  32  -3.302  -1.227   6.378
  245   2HB   LYS  32           HB3      LYS  32  -2.965  -1.426   4.658
  246   1HG   LYS  32           HG2      LYS  32  -0.550  -1.718   5.185
  247   2HG   LYS  32           HG3      LYS  32  -0.931  -1.610   6.904
  248   1HD   LYS  32           HD2      LYS  32  -1.819  -3.723   6.954
  249   2HD   LYS  32           HD3      LYS  32  -2.426  -3.627   5.297
  250   1HE   LYS  32           HE2      LYS  32  -0.473  -5.223   5.548
  251   2HE   LYS  32           HE3      LYS  32  -0.199  -3.918   4.395
  252   1HZ   LYS  32           HZ3      LYS  32   0.576  -2.947   6.864
  253   2HZ   LYS  32           HZ1      LYS  32   1.212  -4.513   6.767
  254   3HZ   LYS  32           HZ2      LYS  32   1.576  -3.375   5.558
  255    H    THR  33           HN       THR  33  -0.473   0.106   3.823
  256    HA   THR  33           HA       THR  33   1.957   0.070   5.511
  257    HB   THR  33           HB       THR  33   1.112  -0.495   2.701
  258    HG1  THR  33           HG1      THR  33   1.293  -2.197   4.126
  259   1HG2  THR  33           HG21     THR  33   3.759   0.454   3.659
  260   2HG2  THR  33           HG22     THR  33   3.660  -0.614   2.267
  261   3HG2  THR  33           HG23     THR  33   2.879   0.973   2.225
  262    H    CYS  34           HN       CYS  34   0.349   2.258   3.292
  263    HA   CYS  34           HA       CYS  34   2.602   4.187   3.507
  264   1HB   CYS  34           HB2      CYS  34   1.337   3.616   1.327
  265   2HB   CYS  34           HB3      CYS  34   0.021   4.541   2.007
  266    H    GLU  35           HN       GLU  35  -0.442   3.448   4.905
  267    HA   GLU  35           HA       GLU  35  -1.717   4.489   6.486
  268   1HB   GLU  35           HB2      GLU  35   0.725   6.288   6.614
  269   2HB   GLU  35           HB3      GLU  35  -0.641   6.407   7.758
  270   1HG   GLU  35           HG2      GLU  35  -0.337   4.336   8.636
  271   2HG   GLU  35           HG3      GLU  35   0.304   3.696   7.124
  272    H    LEU  36           HN       LEU  36  -1.946   4.912   3.804
  273    HA   LEU  36           HA       LEU  36  -2.913   7.658   3.328
  274   1HB   LEU  36           HB2      LEU  36  -2.799   5.136   1.692
  275   2HB   LEU  36           HB3      LEU  36  -3.375   6.618   1.008
  276    HG   LEU  36           HG       LEU  36  -0.632   6.285   2.238
  277   1HD1  LEU  36           HD11     LEU  36  -1.605   6.037  -0.619
  278   2HD1  LEU  36           HD12     LEU  36   0.098   6.237  -0.206
  279   3HD1  LEU  36           HD13     LEU  36  -0.801   4.820   0.361
  280   1HD2  LEU  36           HD23     LEU  36  -1.811   8.402   0.389
  281   2HD2  LEU  36           HD21     LEU  36  -1.470   8.625   2.107
  282   3HD2  LEU  36           HD22     LEU  36  -0.146   8.369   0.969
  283    H    CYS  37           HN       CYS  37  -3.970   4.655   4.674
  284    HA   CYS  37           HA       CYS  37  -6.612   5.577   5.103
  285   1HB   CYS  37           HB2      CYS  37  -6.392   5.005   2.469
  286   2HB   CYS  37           HB3      CYS  37  -6.815   3.406   3.083
   
  No H/Q in entry =         286
  Start of MODEL    7
    1   1H    VAL   1           HN2      VAL   1 -14.416   0.984   1.601
    2   2H    VAL   1           HN       VAL   1 -15.482  -0.303   1.916
    3   3H    VAL   1           HN3      VAL   1 -15.483   1.060   2.922
    4    HA   VAL   1           HA       VAL   1 -13.943   0.171   4.221
    5    HB   VAL   1           HB       VAL   1 -14.066  -2.084   2.196
    6   1HG1  VAL   1           HG12     VAL   1 -12.583  -1.740   4.774
    7   2HG1  VAL   1           HG13     VAL   1 -13.268  -3.323   4.407
    8   3HG1  VAL   1           HG11     VAL   1 -12.098  -2.593   3.308
    9   1HG2  VAL   1           HG21     VAL   1 -15.553  -1.372   4.716
   10   2HG2  VAL   1           HG22     VAL   1 -16.192  -1.955   3.178
   11   3HG2  VAL   1           HG23     VAL   1 -15.361  -3.066   4.267
   12    H    CYS   2           HN       CYS   2 -11.713   0.376   4.488
   13    HA   CYS   2           HA       CYS   2 -10.129   0.562   1.971
   14   1HB   CYS   2           HB2      CYS   2 -10.630   2.797   3.015
   15   2HB   CYS   2           HB3      CYS   2  -9.740   2.277   4.446
   16    H    ARG   3           HN       ARG   3  -7.752  -0.086   2.327
   17    HA   ARG   3           HA       ARG   3  -6.401  -0.790   4.561
   18   1HB   ARG   3           HB2      ARG   3  -6.969  -3.327   4.721
   19   2HB   ARG   3           HB3      ARG   3  -8.035  -2.186   5.543
   20   1HG   ARG   3           HG2      ARG   3  -9.772  -2.900   4.317
   21   2HG   ARG   3           HG3      ARG   3  -8.927  -2.434   2.840
   22   1HD   ARG   3           HD2      ARG   3  -9.507  -4.836   2.808
   23   2HD   ARG   3           HD3      ARG   3  -7.760  -4.601   2.807
   24    HE   ARG   3           HE       ARG   3  -7.721  -5.285   5.153
   25   1HH1  ARG   3           HH22     ARG   3 -10.945  -4.792   4.258
   26   2HH1  ARG   3           HH21     ARG   3 -11.560  -6.182   5.089
   27   1HH2  ARG   3           HH12     ARG   3  -8.422  -7.397   5.928
   28   2HH2  ARG   3           HH11     ARG   3 -10.132  -7.657   6.035
   29    H    ASP   4           HN       ASP   4  -4.846  -2.753   4.134
   30    HA   ASP   4           HA       ASP   4  -3.625  -2.445   1.611
   31   1HB   ASP   4           HB2      ASP   4  -2.519  -4.656   2.095
   32   2HB   ASP   4           HB3      ASP   4  -2.438  -3.533   3.453
   33    H    TRP   5           HN       TRP   5  -3.499  -4.371  -0.100
   34    HA   TRP   5           HA       TRP   5  -6.125  -5.770  -0.229
   35   1HB   TRP   5           HB2      TRP   5  -5.204  -3.634  -2.094
   36   2HB   TRP   5           HB3      TRP   5  -6.000  -5.042  -2.808
   37    HD1  TRP   5           HD1      TRP   5  -6.737  -1.880  -1.135
   38    HE1  TRP   5           HE1      TRP   5  -9.223  -1.745  -0.441
   39    HE3  TRP   5           HE3      TRP   5  -8.064  -6.741  -1.792
   40    HZ2  TRP   5           HZ2      TRP   5 -11.484  -3.502  -0.200
   41    HZ3  TRP   5           HZ3      TRP   5 -10.378  -7.498  -1.326
   42    HH2  TRP   5           HH2      TRP   5 -12.086  -5.890  -0.534
   43    H    PHE   6           HN       PHE   6  -2.653  -5.594  -1.232
   44    HA   PHE   6           HA       PHE   6  -3.062  -7.931  -2.932
   45   1HB   PHE   6           HB2      PHE   6  -0.555  -6.530  -1.908
   46   2HB   PHE   6           HB3      PHE   6  -0.582  -7.779  -3.163
   47    HD1  PHE   6           HD2      PHE   6  -2.823  -7.227  -4.813
   48    HD2  PHE   6           HD1      PHE   6  -0.193  -4.456  -2.887
   49    HE1  PHE   6           HE2      PHE   6  -3.382  -5.518  -6.517
   50    HE2  PHE   6           HE1      PHE   6  -0.737  -2.748  -4.564
   51    HZ   PHE   6           HZ       PHE   6  -2.329  -3.285  -6.379
   52    H    LYS   7           HN       LYS   7  -0.360  -8.932  -1.613
   53    HA   LYS   7           HA       LYS   7  -1.811 -10.484   0.444
   54   1HB   LYS   7           HB2      LYS   7   0.538 -10.895  -1.149
   55   2HB   LYS   7           HB3      LYS   7   0.955 -11.102   0.551
   56   1HG   LYS   7           HG2      LYS   7   0.163 -13.217   0.208
   57   2HG   LYS   7           HG3      LYS   7  -1.398 -12.444   0.491
   58   1HD   LYS   7           HD2      LYS   7  -1.971 -12.446  -1.747
   59   2HD   LYS   7           HD3      LYS   7  -0.291 -12.405  -2.287
   60   1HE   LYS   7           HE2      LYS   7  -1.297 -14.816  -0.812
   61   2HE   LYS   7           HE3      LYS   7  -1.673 -14.630  -2.524
   62   1HZ   LYS   7           HZ2      LYS   7   0.820 -14.151  -2.750
   63   2HZ   LYS   7           HZ3      LYS   7   0.963 -14.890  -1.226
   64   3HZ   LYS   7           HZ1      LYS   7   0.329 -15.764  -2.531
   65    H    GLU   8           HN       GLU   8  -1.363  -7.616   1.002
   66    HA   GLU   8           HA       GLU   8  -0.893  -6.299   2.853
   67   1HB   GLU   8           HB2      GLU   8  -1.382  -8.821   3.756
   68   2HB   GLU   8           HB3      GLU   8   0.171  -8.453   4.519
   69   1HG   GLU   8           HG2      GLU   8  -0.702  -6.664   5.729
   70   2HG   GLU   8           HG3      GLU   8  -1.985  -6.370   4.554
   71    H    THR   9           HN       THR   9   1.724  -8.360   1.622
   72    HA   THR   9           HA       THR   9   3.628  -6.561   2.963
   73    HB   THR   9           HB       THR   9   5.268  -8.325   2.165
   74    HG1  THR   9           HG1      THR   9   4.549  -9.778   0.808
   75   1HG2  THR   9           HG22     THR   9   3.197  -8.321   4.109
   76   2HG2  THR   9           HG23     THR   9   3.436  -9.989   3.584
   77   3HG2  THR   9           HG21     THR   9   4.798  -9.061   4.232
   78    H    ALA  10           HN       ALA  10   2.278  -7.426  -0.149
   79    HA   ALA  10           HA       ALA  10   4.088  -6.193  -1.962
   80   1HB   ALA  10           HB3      ALA  10   1.712  -7.242  -2.479
   81   2HB   ALA  10           HB1      ALA  10   1.090  -5.649  -2.048
   82   3HB   ALA  10           HB2      ALA  10   2.188  -5.819  -3.410
   83    H    CYS  11           HN       CYS  11   1.660  -5.028   0.227
   84    HA   CYS  11           HA       CYS  11   1.657  -2.259  -0.276
   85   1HB   CYS  11           HB2      CYS  11   1.105  -3.858   2.267
   86   2HB   CYS  11           HB3      CYS  11   0.481  -2.241   1.890
   87    H    ARG  12           HN       ARG  12   3.219  -3.892   2.483
   88    HA   ARG  12           HA       ARG  12   4.817  -1.795   3.430
   89   1HB   ARG  12           HB2      ARG  12   4.896  -3.641   4.810
   90   2HB   ARG  12           HB3      ARG  12   5.002  -4.775   3.463
   91   1HG   ARG  12           HG2      ARG  12   7.274  -4.553   3.261
   92   2HG   ARG  12           HG3      ARG  12   7.276  -2.888   3.851
   93   1HD   ARG  12           HD2      ARG  12   7.129  -3.546   6.105
   94   2HD   ARG  12           HD3      ARG  12   6.553  -5.160   5.690
   95    HE   ARG  12           HE       ARG  12   9.284  -4.511   4.788
   96   1HH1  ARG  12           HH21     ARG  12   9.187  -7.743   6.621
   97   2HH1  ARG  12           HH22     ARG  12   8.598  -7.310   5.052
   98   1HH2  ARG  12           HH12     ARG  12   9.446  -4.466   7.722
   99   2HH2  ARG  12           HH11     ARG  12   9.667  -6.134   8.133
  100    H    HIS  13           HN       HIS  13   5.256  -3.634   0.486
  101    HA   HIS  13           HA       HIS  13   8.050  -3.018   0.164
  102   1HB   HIS  13           HB2      HIS  13   6.170  -4.377  -1.371
  103   2HB   HIS  13           HB3      HIS  13   6.344  -2.874  -2.279
  104    HD1  HIS  13           HD1      HIS  13   7.994  -3.242  -4.102
  105    HD2  HIS  13           HD2      HIS  13   9.156  -5.161  -0.588
  106    HE1  HIS  13           HE1      HIS  13  10.248  -4.288  -4.572
  107    H    ALA  14           HN       ALA  14   5.185  -1.579  -1.323
  108    HA   ALA  14           HA       ALA  14   6.196   0.884  -2.165
  109   1HB   ALA  14           HB1      ALA  14   3.635  -0.299  -1.693
  110   2HB   ALA  14           HB2      ALA  14   3.614   1.371  -1.125
  111   3HB   ALA  14           HB3      ALA  14   4.058   1.013  -2.801
  112    H    LYS  15           HN       LYS  15   5.362   0.044   1.242
  113    HA   LYS  15           HA       LYS  15   5.485   2.835   2.041
  114   1HB   LYS  15           HB2      LYS  15   4.242   1.610   3.573
  115   2HB   LYS  15           HB3      LYS  15   5.274   0.187   3.425
  116   1HG   LYS  15           HG2      LYS  15   5.575   1.300   5.595
  117   2HG   LYS  15           HG3      LYS  15   7.051   1.273   4.629
  118   1HD   LYS  15           HD2      LYS  15   7.190   3.511   4.816
  119   2HD   LYS  15           HD3      LYS  15   5.666   3.653   3.937
  120   1HE   LYS  15           HE2      LYS  15   5.281   4.771   5.991
  121   2HE   LYS  15           HE3      LYS  15   4.519   3.194   6.192
  122   1HZ   LYS  15           HZ2      LYS  15   7.254   3.080   6.916
  123   2HZ   LYS  15           HZ3      LYS  15   6.472   4.315   7.785
  124   3HZ   LYS  15           HZ1      LYS  15   5.882   2.730   7.858
  125    H    SER  16           HN       SER  16   8.001   0.168   1.841
  126    HA   SER  16           HA       SER  16   9.808   2.121   3.127
  127   1HB   SER  16           HB2      SER  16   9.635  -0.704   3.210
  128   2HB   SER  16           HB3      SER  16  11.174  -0.286   2.471
  129    HG   SER  16           HG       SER  16  11.723   0.070   4.493
  130    H    LEU  17           HN       LEU  17   9.143   1.104  -0.115
  131    HA   LEU  17           HA       LEU  17  11.891   1.704  -1.044
  132   1HB   LEU  17           HB2      LEU  17   9.537   1.813  -2.859
  133   2HB   LEU  17           HB3      LEU  17  11.162   1.179  -3.199
  134    HG   LEU  17           HG       LEU  17   9.924  -0.453  -1.195
  135   1HD1  LEU  17           HD11     LEU  17   8.316   0.592  -3.530
  136   2HD1  LEU  17           HD12     LEU  17   7.785  -0.838  -2.631
  137   3HD1  LEU  17           HD13     LEU  17   7.980   0.750  -1.821
  138   1HD2  LEU  17           HD22     LEU  17  11.478  -0.783  -3.402
  139   2HD2  LEU  17           HD23     LEU  17  10.486  -2.119  -2.808
  140   3HD2  LEU  17           HD21     LEU  17   9.911  -1.116  -4.150
  141    H    GLY  18           HN       GLY  18   8.614   2.894  -1.569
  142   1HA   GLY  18           HA1      GLY  18   8.766   5.537  -0.971
  143   2HA   GLY  18           HA2      GLY  18   9.584   5.465  -2.538
  144    H    ASN  19           HN       ASN  19   7.710   3.240  -3.472
  145    HA   ASN  19           HA       ASN  19   5.876   4.759  -4.866
  146   1HB   ASN  19           HB2      ASN  19   4.606   2.296  -4.102
  147   2HB   ASN  19           HB3      ASN  19   5.027   2.936  -5.633
  148   1HD2  ASN  19           HD22     ASN  19   6.929  -0.265  -4.390
  149   2HD2  ASN  19           HD21     ASN  19   5.427   0.278  -3.843
  150    H    CYS  20           HN       CYS  20   5.647   4.213  -1.465
  151    HA   CYS  20           HA       CYS  20   3.096   3.792  -0.729
  152   1HB   CYS  20           HB2      CYS  20   4.298   4.504   1.078
  153   2HB   CYS  20           HB3      CYS  20   5.093   5.800   0.174
  154    H    ARG  21           HN       ARG  21   4.149   6.659  -2.494
  155    HA   ARG  21           HA       ARG  21   1.247   7.349  -2.846
  156   1HB   ARG  21           HB2      ARG  21   3.416   8.896  -1.747
  157   2HB   ARG  21           HB3      ARG  21   2.555   9.734  -3.041
  158   1HG   ARG  21           HG2      ARG  21   0.590   8.414  -1.458
  159   2HG   ARG  21           HG3      ARG  21   1.648   9.284  -0.342
  160   1HD   ARG  21           HD2      ARG  21   0.579  10.624  -2.822
  161   2HD   ARG  21           HD3      ARG  21  -0.368  10.574  -1.334
  162    HE   ARG  21           HE       ARG  21   2.403  11.630  -1.181
  163   1HH1  ARG  21           HH22     ARG  21   0.530  11.997   1.080
  164   2HH1  ARG  21           HH21     ARG  21  -0.075  13.600   0.822
  165   1HH2  ARG  21           HH12     ARG  21   0.962  13.744  -2.484
  166   2HH2  ARG  21           HH11     ARG  21   0.171  14.589  -1.195
  167    H    THR  22           HN       THR  22   3.950   6.467  -4.535
  168    HA   THR  22           HA       THR  22   3.300   8.229  -6.846
  169    HB   THR  22           HB       THR  22   5.539   6.953  -7.658
  170    HG1  THR  22           HG1      THR  22   6.806   7.085  -5.553
  171   1HG2  THR  22           HG21     THR  22   5.272   9.371  -5.869
  172   2HG2  THR  22           HG22     THR  22   6.787   8.919  -6.652
  173   3HG2  THR  22           HG23     THR  22   5.379   9.334  -7.629
  174    H    SER  23           HN       SER  23   2.339   5.311  -5.681
  175    HA   SER  23           HA       SER  23   2.097   4.227  -8.450
  176   1HB   SER  23           HB2      SER  23   2.685   2.861  -5.797
  177   2HB   SER  23           HB3      SER  23   2.047   1.960  -7.189
  178    HG   SER  23           HG       SER  23   3.967   2.084  -8.050
  179    H    GLN  24           HN       GLN  24  -0.094   3.540  -8.945
  180    HA   GLN  24           HA       GLN  24  -2.047   4.882  -7.325
  181   1HB   GLN  24           HB2      GLN  24  -2.298   3.045  -9.695
  182   2HB   GLN  24           HB3      GLN  24  -3.722   3.640  -8.841
  183   1HG   GLN  24           HG2      GLN  24  -1.993   5.862  -9.246
  184   2HG   GLN  24           HG3      GLN  24  -2.129   5.010 -10.786
  185   1HE2  GLN  24           HE22     GLN  24  -5.411   6.878  -9.222
  186   2HE2  GLN  24           HE21     GLN  24  -4.009   6.697  -8.284
  187    H    LYS  25           HN       LYS  25  -2.165   1.297  -7.999
  188    HA   LYS  25           HA       LYS  25  -3.926   0.832  -5.830
  189   1HB   LYS  25           HB2      LYS  25  -2.524  -0.740  -7.658
  190   2HB   LYS  25           HB3      LYS  25  -1.847  -1.232  -6.104
  191   1HG   LYS  25           HG2      LYS  25  -3.741  -2.291  -5.489
  192   2HG   LYS  25           HG3      LYS  25  -4.744  -0.936  -5.970
  193   1HD   LYS  25           HD2      LYS  25  -3.913  -1.933  -8.411
  194   2HD   LYS  25           HD3      LYS  25  -4.129  -3.397  -7.449
  195   1HE   LYS  25           HE2      LYS  25  -6.211  -2.639  -8.658
  196   2HE   LYS  25           HE3      LYS  25  -6.401  -2.804  -6.913
  197   1HZ   LYS  25           HZ1      LYS  25  -5.477  -0.206  -7.656
  198   2HZ   LYS  25           HZ2      LYS  25  -6.960  -0.584  -8.396
  199   3HZ   LYS  25           HZ3      LYS  25  -6.808  -0.643  -6.705
  200    H    TYR  26           HN       TYR  26  -0.495   0.152  -5.842
  201    HA   TYR  26           HA       TYR  26   0.476  -0.255  -3.405
  202   1HB   TYR  26           HB2      TYR  26   1.154   1.456  -5.660
  203   2HB   TYR  26           HB3      TYR  26   2.079   1.780  -4.191
  204    HD1  TYR  26           HD2      TYR  26   0.734  -1.608  -4.640
  205    HD2  TYR  26           HD1      TYR  26   4.077   0.956  -5.366
  206    HE1  TYR  26           HE2      TYR  26   2.124  -3.561  -5.032
  207    HE2  TYR  26           HE1      TYR  26   5.529  -1.006  -5.770
  208    HH   TYR  26           HH       TYR  26   4.277  -4.308  -5.280
  209    H    ARG  27           HN       ARG  27  -0.288   3.160  -4.334
  210    HA   ARG  27           HA       ARG  27   0.080   4.103  -1.645
  211   1HB   ARG  27           HB2      ARG  27  -0.200   6.208  -2.586
  212   2HB   ARG  27           HB3      ARG  27   0.103   5.284  -4.066
  213   1HG   ARG  27           HG2      ARG  27  -2.222   5.069  -4.493
  214   2HG   ARG  27           HG3      ARG  27  -2.655   5.841  -2.950
  215   1HD   ARG  27           HD2      ARG  27  -1.212   7.117  -5.296
  216   2HD   ARG  27           HD3      ARG  27  -2.853   7.466  -4.762
  217    HE   ARG  27           HE       ARG  27  -0.401   8.155  -3.199
  218   1HH1  ARG  27           HH22     ARG  27  -2.600   8.116  -1.371
  219   2HH1  ARG  27           HH21     ARG  27  -3.340   9.675  -1.538
  220   1HH2  ARG  27           HH12     ARG  27  -1.826  10.350  -4.587
  221   2HH2  ARG  27           HH11     ARG  27  -2.898  10.941  -3.363
  222    H    ALA  28           HN       ALA  28  -2.763   3.430  -3.616
  223    HA   ALA  28           HA       ALA  28  -4.605   3.956  -1.390
  224   1HB   ALA  28           HB2      ALA  28  -4.793   3.699  -4.284
  225   2HB   ALA  28           HB3      ALA  28  -6.035   2.749  -3.469
  226   3HB   ALA  28           HB1      ALA  28  -5.903   4.480  -3.159
  227    H    ASN  29           HN       ASN  29  -4.507   1.139  -3.625
  228    HA   ASN  29           HA       ASN  29  -5.763  -0.651  -2.036
  229   1HB   ASN  29           HB2      ASN  29  -3.653  -1.036  -4.051
  230   2HB   ASN  29           HB3      ASN  29  -3.825  -2.375  -2.917
  231   1HD2  ASN  29           HD22     ASN  29  -7.251  -1.389  -4.981
  232   2HD2  ASN  29           HD21     ASN  29  -6.237  -0.143  -4.435
  233    H    CYS  30           HN       CYS  30  -2.312   0.099  -1.835
  234    HA   CYS  30           HA       CYS  30  -2.188  -1.431   0.716
  235   1HB   CYS  30           HB2      CYS  30  -0.063  -0.459  -1.208
  236   2HB   CYS  30           HB3      CYS  30   0.309  -1.158   0.378
  237    H    ALA  31           HN       ALA  31  -3.524   0.486   1.407
  238    HA   ALA  31           HA       ALA  31  -1.960   2.918   2.059
  239   1HB   ALA  31           HB3      ALA  31  -4.696   2.237   1.521
  240   2HB   ALA  31           HB1      ALA  31  -4.611   2.907   3.141
  241   3HB   ALA  31           HB2      ALA  31  -4.030   3.850   1.765
  242    H    LYS  32           HN       LYS  32  -2.388  -0.102   3.387
  243    HA   LYS  32           HA       LYS  32  -2.710   0.703   6.202
  244   1HB   LYS  32           HB2      LYS  32  -3.551  -1.391   6.162
  245   2HB   LYS  32           HB3      LYS  32  -2.849  -1.704   4.582
  246   1HG   LYS  32           HG2      LYS  32  -1.103  -1.767   7.042
  247   2HG   LYS  32           HG3      LYS  32  -2.095  -3.155   6.628
  248   1HD   LYS  32           HD2      LYS  32  -0.964  -2.631   4.208
  249   2HD   LYS  32           HD3      LYS  32   0.330  -2.118   5.291
  250   1HE   LYS  32           HE2      LYS  32  -0.945  -4.841   5.053
  251   2HE   LYS  32           HE3      LYS  32   0.765  -4.442   4.952
  252   1HZ   LYS  32           HZ2      LYS  32   0.216  -3.540   7.379
  253   2HZ   LYS  32           HZ3      LYS  32  -0.929  -4.794   7.291
  254   3HZ   LYS  32           HZ1      LYS  32   0.717  -5.137   7.081
  255    H    THR  33           HN       THR  33  -0.292  -0.040   3.859
  256    HA   THR  33           HA       THR  33   1.937  -0.293   5.764
  257    HB   THR  33           HB       THR  33   1.173  -1.273   3.297
  258    HG1  THR  33           HG1      THR  33   2.505  -2.633   3.997
  259   1HG2  THR  33           HG21     THR  33   2.701   1.036   2.688
  260   2HG2  THR  33           HG22     THR  33   3.771  -0.350   2.492
  261   3HG2  THR  33           HG23     THR  33   2.255  -0.286   1.613
  262    H    CYS  34           HN       CYS  34   0.365   2.114   3.923
  263    HA   CYS  34           HA       CYS  34   2.544   4.023   4.707
  264   1HB   CYS  34           HB2      CYS  34   1.950   3.637   2.158
  265   2HB   CYS  34           HB3      CYS  34   0.589   4.642   2.540
  266    H    GLU  35           HN       GLU  35  -0.573   3.087   5.455
  267    HA   GLU  35           HA       GLU  35  -2.307   4.133   6.539
  268   1HB   GLU  35           HB2      GLU  35   0.036   5.903   7.259
  269   2HB   GLU  35           HB3      GLU  35  -1.581   6.124   7.985
  270   1HG   GLU  35           HG2      GLU  35  -1.704   3.896   8.727
  271   2HG   GLU  35           HG3      GLU  35  -0.298   3.424   7.783
  272    H    LEU  36           HN       LEU  36  -1.931   4.540   3.858
  273    HA   LEU  36           HA       LEU  36  -2.625   7.314   3.157
  274   1HB   LEU  36           HB2      LEU  36  -2.386   4.702   1.710
  275   2HB   LEU  36           HB3      LEU  36  -2.988   6.089   0.849
  276    HG   LEU  36           HG       LEU  36  -0.427   6.185   2.380
  277   1HD1  LEU  36           HD11     LEU  36  -0.637   4.228   0.649
  278   2HD1  LEU  36           HD12     LEU  36  -0.540   5.498  -0.568
  279   3HD1  LEU  36           HD13     LEU  36   0.792   5.252   0.557
  280   1HD2  LEU  36           HD22     LEU  36  -1.747   8.182   1.205
  281   2HD2  LEU  36           HD23     LEU  36   0.013   8.115   1.124
  282   3HD2  LEU  36           HD21     LEU  36  -0.953   7.561  -0.242
  283    H    CYS  37           HN       CYS  37  -4.123   4.393   4.290
  284    HA   CYS  37           HA       CYS  37  -6.627   4.504   2.964
  285   1HB   CYS  37           HB2      CYS  37  -5.565   3.320   5.438
  286   2HB   CYS  37           HB3      CYS  37  -7.277   3.723   5.530
   
  No H/Q in entry =         286
  Start of MODEL    8
    1   1H    VAL   1           HN       VAL   1 -14.278   0.002   2.063
    2   2H    VAL   1           HN3      VAL   1 -15.440   0.768   3.027
    3   3H    VAL   1           HN2      VAL   1 -14.735   1.605   1.725
    4    HA   VAL   1           HA       VAL   1 -13.665   2.449   3.611
    5    HB   VAL   1           HB       VAL   1 -14.485   0.532   5.065
    6   1HG1  VAL   1           HG11     VAL   1 -13.365  -1.162   3.438
    7   2HG1  VAL   1           HG12     VAL   1 -11.884  -0.799   4.324
    8   3HG1  VAL   1           HG13     VAL   1 -13.271  -1.485   5.170
    9   1HG2  VAL   1           HG22     VAL   1 -12.453   2.312   5.445
   10   2HG2  VAL   1           HG23     VAL   1 -12.989   1.172   6.680
   11   3HG2  VAL   1           HG21     VAL   1 -11.593   0.790   5.673
   12    H    CYS   2           HN       CYS   2 -11.306   2.638   3.843
   13    HA   CYS   2           HA       CYS   2  -9.948   1.707   1.410
   14   1HB   CYS   2           HB2      CYS   2  -8.023   3.084   2.347
   15   2HB   CYS   2           HB3      CYS   2  -9.500   3.985   2.008
   16    H    ARG   3           HN       ARG   3  -7.532   0.959   1.819
   17    HA   ARG   3           HA       ARG   3  -6.461  -0.244   4.012
   18   1HB   ARG   3           HB2      ARG   3  -7.285  -2.668   3.773
   19   2HB   ARG   3           HB3      ARG   3  -8.384  -1.543   4.567
   20   1HG   ARG   3           HG2      ARG   3  -9.942  -1.803   2.963
   21   2HG   ARG   3           HG3      ARG   3  -8.761  -1.510   1.685
   22   1HD   ARG   3           HD2      ARG   3  -9.668  -3.757   1.425
   23   2HD   ARG   3           HD3      ARG   3  -7.979  -3.868   1.919
   24    HE   ARG   3           HE       ARG   3  -8.731  -4.970   3.851
   25   1HH1  ARG   3           HH12     ARG   3 -11.432  -3.960   2.122
   26   2HH1  ARG   3           HH11     ARG   3 -12.511  -3.943   3.477
   27   1HH2  ARG   3           HH22     ARG   3 -10.007  -4.504   5.812
   28   2HH2  ARG   3           HH21     ARG   3 -11.703  -4.251   5.567
   29    H    ASP   4           HN       ASP   4  -5.493  -2.662   3.229
   30    HA   ASP   4           HA       ASP   4  -3.955  -1.934   0.839
   31   1HB   ASP   4           HB2      ASP   4  -2.964  -4.304   1.263
   32   2HB   ASP   4           HB3      ASP   4  -2.629  -3.050   2.459
   33    H    TRP   5           HN       TRP   5  -3.595  -4.211  -0.597
   34    HA   TRP   5           HA       TRP   5  -6.241  -5.395  -1.134
   35   1HB   TRP   5           HB2      TRP   5  -4.995  -3.262  -2.790
   36   2HB   TRP   5           HB3      TRP   5  -5.728  -4.606  -3.679
   37    HD1  TRP   5           HD1      TRP   5  -6.704  -1.403  -2.317
   38    HE1  TRP   5           HE1      TRP   5  -9.228  -1.289  -1.848
   39    HE3  TRP   5           HE3      TRP   5  -7.856  -6.361  -2.562
   40    HZ2  TRP   5           HZ2      TRP   5 -11.463  -3.075  -1.604
   41    HZ3  TRP   5           HZ3      TRP   5 -10.183  -7.132  -2.207
   42    HH2  TRP   5           HH2      TRP   5 -11.985  -5.502  -1.730
   43    H    PHE   6           HN       PHE   6  -2.707  -5.156  -1.935
   44    HA   PHE   6           HA       PHE   6  -2.828  -7.690  -3.386
   45   1HB   PHE   6           HB2      PHE   6  -0.537  -5.998  -2.284
   46   2HB   PHE   6           HB3      PHE   6  -0.328  -7.379  -3.362
   47    HD1  PHE   6           HD2      PHE   6  -3.163  -6.246  -4.746
   48    HD2  PHE   6           HD1      PHE   6   0.830  -4.880  -3.941
   49    HE1  PHE   6           HE2      PHE   6  -3.313  -4.699  -6.615
   50    HE2  PHE   6           HE1      PHE   6   0.717  -3.349  -5.770
   51    HZ   PHE   6           HZ       PHE   6  -1.379  -3.218  -7.169
   52    H    LYS   7           HN       LYS   7  -0.151  -8.292  -1.718
   53    HA   LYS   7           HA       LYS   7  -1.552  -9.640   0.502
   54   1HB   LYS   7           HB2      LYS   7   0.325 -10.772  -0.778
   55   2HB   LYS   7           HB3      LYS   7   1.425  -9.530  -0.177
   56   1HG   LYS   7           HG2      LYS   7   1.764 -10.845   1.618
   57   2HG   LYS   7           HG3      LYS   7   0.117 -10.450   2.113
   58   1HD   LYS   7           HD2      LYS   7  -0.668 -12.359   0.635
   59   2HD   LYS   7           HD3      LYS   7   1.025 -12.831   0.483
   60   1HE   LYS   7           HE2      LYS   7   0.519 -12.377   3.247
   61   2HE   LYS   7           HE3      LYS   7  -0.780 -13.397   2.631
   62   1HZ   LYS   7           HZ3      LYS   7   1.985 -14.006   1.861
   63   2HZ   LYS   7           HZ1      LYS   7   1.467 -14.433   3.415
   64   3HZ   LYS   7           HZ2      LYS   7   0.658 -15.052   2.054
   65    H    GLU   8           HN       GLU   8  -1.169  -8.934   2.739
   66    HA   GLU   8           HA       GLU   8  -0.883  -6.175   3.191
   67   1HB   GLU   8           HB2      GLU   8  -0.124  -8.468   5.023
   68   2HB   GLU   8           HB3      GLU   8  -0.299  -6.791   5.540
   69   1HG   GLU   8           HG2      GLU   8  -2.620  -6.770   5.102
   70   2HG   GLU   8           HG3      GLU   8  -2.531  -8.222   4.104
   71    H    THR   9           HN       THR   9   1.648  -8.445   2.415
   72    HA   THR   9           HA       THR   9   3.691  -6.606   3.446
   73    HB   THR   9           HB       THR   9   5.244  -8.421   2.655
   74    HG1  THR   9           HG1      THR   9   3.446  -9.022   1.029
   75   1HG2  THR   9           HG21     THR   9   3.207  -8.398   4.665
   76   2HG2  THR   9           HG22     THR   9   3.516 -10.066   4.174
   77   3HG2  THR   9           HG23     THR   9   4.841  -9.057   4.764
   78    H    ALA  10           HN       ALA  10   2.298  -7.579   0.338
   79    HA   ALA  10           HA       ALA  10   4.150  -6.400  -1.455
   80   1HB   ALA  10           HB2      ALA  10   1.101  -6.304  -1.472
   81   2HB   ALA  10           HB3      ALA  10   2.067  -5.685  -2.806
   82   3HB   ALA  10           HB1      ALA  10   2.108  -7.409  -2.411
   83    H    CYS  11           HN       CYS  11   1.686  -5.151   0.647
   84    HA   CYS  11           HA       CYS  11   1.797  -2.404  -0.042
   85   1HB   CYS  11           HB2      CYS  11   1.052  -3.746   2.602
   86   2HB   CYS  11           HB3      CYS  11   0.485  -2.166   2.024
   87    H    ARG  12           HN       ARG  12   3.174  -3.900   2.936
   88    HA   ARG  12           HA       ARG  12   4.805  -1.901   3.850
   89   1HB   ARG  12           HB2      ARG  12   4.618  -4.354   4.637
   90   2HB   ARG  12           HB3      ARG  12   5.949  -4.667   3.509
   91   1HG   ARG  12           HG2      ARG  12   6.866  -2.431   4.713
   92   2HG   ARG  12           HG3      ARG  12   5.952  -3.144   6.046
   93   1HD   ARG  12           HD2      ARG  12   7.271  -5.335   5.042
   94   2HD   ARG  12           HD3      ARG  12   8.463  -4.058   4.799
   95    HE   ARG  12           HE       ARG  12   7.327  -4.850   7.441
   96   1HH1  ARG  12           HH12     ARG  12   8.641  -2.083   6.289
   97   2HH1  ARG  12           HH11     ARG  12  10.096  -2.125   7.227
   98   1HH2  ARG  12           HH22     ARG  12   9.619  -5.384   8.311
   99   2HH2  ARG  12           HH21     ARG  12  10.649  -3.993   8.372
  100    H    HIS  13           HN       HIS  13   5.283  -3.713   0.869
  101    HA   HIS  13           HA       HIS  13   7.994  -2.822   0.460
  102   1HB   HIS  13           HB2      HIS  13   6.526  -4.578  -0.905
  103   2HB   HIS  13           HB3      HIS  13   6.026  -3.153  -1.817
  104    HD1  HIS  13           HD1      HIS  13   7.373  -3.112  -3.913
  105    HD2  HIS  13           HD2      HIS  13   9.702  -4.176  -0.623
  106    HE1  HIS  13           HE1      HIS  13   9.747  -3.328  -4.758
  107    H    ALA  14           HN       ALA  14   4.924  -1.698  -0.977
  108    HA   ALA  14           HA       ALA  14   5.665   0.686  -2.103
  109   1HB   ALA  14           HB1      ALA  14   3.337  -0.212  -2.036
  110   2HB   ALA  14           HB2      ALA  14   3.180   0.473  -0.417
  111   3HB   ALA  14           HB3      ALA  14   3.475   1.532  -1.805
  112    H    LYS  15           HN       LYS  15   4.886   0.447   1.432
  113    HA   LYS  15           HA       LYS  15   5.370   3.237   1.847
  114   1HB   LYS  15           HB2      LYS  15   4.161   2.333   3.574
  115   2HB   LYS  15           HB3      LYS  15   5.009   0.801   3.547
  116   1HG   LYS  15           HG2      LYS  15   5.626   2.005   5.563
  117   2HG   LYS  15           HG3      LYS  15   7.016   1.891   4.481
  118   1HD   LYS  15           HD2      LYS  15   6.627   4.172   3.683
  119   2HD   LYS  15           HD3      LYS  15   5.192   4.303   4.702
  120   1HE   LYS  15           HE2      LYS  15   7.990   3.800   5.751
  121   2HE   LYS  15           HE3      LYS  15   7.199   5.377   5.728
  122   1HZ   LYS  15           HZ1      LYS  15   5.363   4.309   7.027
  123   2HZ   LYS  15           HZ2      LYS  15   6.371   2.953   7.217
  124   3HZ   LYS  15           HZ3      LYS  15   6.832   4.460   7.856
  125    H    SER  16           HN       SER  16   7.607   0.363   2.387
  126    HA   SER  16           HA       SER  16   9.793   2.291   2.851
  127   1HB   SER  16           HB2      SER  16   9.269  -0.358   3.627
  128   2HB   SER  16           HB3      SER  16  10.584  -0.458   2.465
  129    HG   SER  16           HG       SER  16  10.430   0.882   4.945
  130    H    LEU  17           HN       LEU  17   8.287   1.546   0.166
  131    HA   LEU  17           HA       LEU  17  10.348   0.574  -1.653
  132   1HB   LEU  17           HB2      LEU  17   7.530   1.254  -1.600
  133   2HB   LEU  17           HB3      LEU  17   8.347   1.740  -3.090
  134    HG   LEU  17           HG       LEU  17   8.513  -0.964  -1.814
  135   1HD1  LEU  17           HD11     LEU  17   6.647   0.366  -3.654
  136   2HD1  LEU  17           HD12     LEU  17   7.300  -1.115  -4.364
  137   3HD1  LEU  17           HD13     LEU  17   6.441  -1.174  -2.820
  138   1HD2  LEU  17           HD21     LEU  17  10.010   0.499  -3.830
  139   2HD2  LEU  17           HD22     LEU  17  10.400  -1.055  -3.090
  140   3HD2  LEU  17           HD23     LEU  17   9.357  -0.992  -4.521
  141    H    GLY  18           HN       GLY  18   8.246   3.349  -1.667
  142   1HA   GLY  18           HA1      GLY  18   9.721   5.608  -1.719
  143   2HA   GLY  18           HA2      GLY  18  10.076   4.905  -3.322
  144    H    ASN  19           HN       ASN  19   7.340   3.549  -3.293
  145    HA   ASN  19           HA       ASN  19   6.000   5.629  -4.719
  146   1HB   ASN  19           HB2      ASN  19   5.319   2.794  -3.920
  147   2HB   ASN  19           HB3      ASN  19   4.079   3.810  -4.513
  148   1HD2  ASN  19           HD22     ASN  19   5.545   1.914  -7.327
  149   2HD2  ASN  19           HD21     ASN  19   4.781   1.524  -5.859
  150    H    CYS  20           HN       CYS  20   4.581   3.750  -1.988
  151    HA   CYS  20           HA       CYS  20   2.958   4.516  -0.430
  152   1HB   CYS  20           HB2      CYS  20   5.368   4.818   0.438
  153   2HB   CYS  20           HB3      CYS  20   5.099   6.533   0.149
  154    H    ARG  21           HN       ARG  21   2.726   5.841  -3.012
  155    HA   ARG  21           HA       ARG  21   0.723   7.628  -2.883
  156   1HB   ARG  21           HB2      ARG  21   3.160   8.865  -1.835
  157   2HB   ARG  21           HB3      ARG  21   2.243   9.860  -2.974
  158   1HG   ARG  21           HG2      ARG  21   0.383   9.973  -1.597
  159   2HG   ARG  21           HG3      ARG  21   0.730   8.421  -0.832
  160   1HD   ARG  21           HD2      ARG  21   2.372   9.345   0.586
  161   2HD   ARG  21           HD3      ARG  21   2.535  10.795  -0.402
  162    HE   ARG  21           HE       ARG  21  -0.127  10.449   0.768
  163   1HH1  ARG  21           HH12     ARG  21   2.792  10.838   2.279
  164   2HH1  ARG  21           HH11     ARG  21   2.478  12.418   2.915
  165   1HH2  ARG  21           HH22     ARG  21  -0.431  12.866   1.081
  166   2HH2  ARG  21           HH21     ARG  21   0.653  13.567   2.236
  167    H    THR  22           HN       THR  22   3.760   6.870  -4.501
  168    HA   THR  22           HA       THR  22   3.023   8.597  -6.782
  169    HB   THR  22           HB       THR  22   5.192   8.205  -7.610
  170    HG1  THR  22           HG1      THR  22   4.848   5.786  -6.283
  171   1HG2  THR  22           HG22     THR  22   4.900   8.764  -4.839
  172   2HG2  THR  22           HG23     THR  22   6.319   7.734  -5.026
  173   3HG2  THR  22           HG21     THR  22   6.208   9.252  -5.915
  174    H    SER  23           HN       SER  23   2.697   5.365  -5.667
  175    HA   SER  23           HA       SER  23   1.928   4.444  -8.410
  176   1HB   SER  23           HB2      SER  23   3.260   3.185  -6.050
  177   2HB   SER  23           HB3      SER  23   1.973   2.222  -6.777
  178    HG   SER  23           HG       SER  23   3.049   2.205  -8.678
  179    H    GLN  24           HN       GLN  24  -0.322   4.340  -8.699
  180    HA   GLN  24           HA       GLN  24  -1.959   5.101  -6.454
  181   1HB   GLN  24           HB2      GLN  24  -2.419   4.463  -9.291
  182   2HB   GLN  24           HB3      GLN  24  -3.764   4.031  -8.232
  183   1HG   GLN  24           HG2      GLN  24  -3.717   6.320  -7.270
  184   2HG   GLN  24           HG3      GLN  24  -2.436   6.751  -8.405
  185   1HE2  GLN  24           HE22     GLN  24  -4.617   7.044 -11.191
  186   2HE2  GLN  24           HE21     GLN  24  -3.001   6.957 -10.683
  187    H    LYS  25           HN       LYS  25  -1.312   1.891  -7.949
  188    HA   LYS  25           HA       LYS  25  -3.178   0.675  -6.093
  189   1HB   LYS  25           HB2      LYS  25  -2.372  -0.139  -8.479
  190   2HB   LYS  25           HB3      LYS  25  -1.173  -1.000  -7.474
  191   1HG   LYS  25           HG2      LYS  25  -2.762  -2.066  -6.178
  192   2HG   LYS  25           HG3      LYS  25  -4.010  -0.917  -6.598
  193   1HD   LYS  25           HD2      LYS  25  -2.882  -2.618  -8.800
  194   2HD   LYS  25           HD3      LYS  25  -4.044  -3.349  -7.689
  195   1HE   LYS  25           HE2      LYS  25  -5.780  -2.015  -8.392
  196   2HE   LYS  25           HE3      LYS  25  -4.720  -0.665  -8.798
  197   1HZ   LYS  25           HZ2      LYS  25  -4.730  -3.199 -10.327
  198   2HZ   LYS  25           HZ3      LYS  25  -5.740  -1.891 -10.726
  199   3HZ   LYS  25           HZ1      LYS  25  -4.057  -1.706 -10.781
  200    H    TYR  26           HN       TYR  26  -0.455   2.021  -5.428
  201    HA   TYR  26           HA       TYR  26   0.614  -0.137  -3.667
  202   1HB   TYR  26           HB2      TYR  26   1.822   2.295  -4.925
  203   2HB   TYR  26           HB3      TYR  26   2.500   1.753  -3.377
  204    HD1  TYR  26           HD1      TYR  26   0.923   0.039  -6.270
  205    HD2  TYR  26           HD2      TYR  26   4.283   0.205  -3.600
  206    HE1  TYR  26           HE1      TYR  26   1.834  -1.965  -7.310
  207    HE2  TYR  26           HE2      TYR  26   5.220  -1.831  -4.660
  208    HH   TYR  26           HH       TYR  26   3.453  -3.873  -6.600
  209    H    ARG  27           HN       ARG  27   0.435   3.338  -3.847
  210    HA   ARG  27           HA       ARG  27   0.290   4.028  -1.147
  211   1HB   ARG  27           HB2      ARG  27  -0.019   6.196  -1.941
  212   2HB   ARG  27           HB3      ARG  27   0.516   5.410  -3.424
  213   1HG   ARG  27           HG2      ARG  27  -1.698   5.239  -4.241
  214   2HG   ARG  27           HG3      ARG  27  -2.406   5.718  -2.682
  215   1HD   ARG  27           HD2      ARG  27  -0.632   7.473  -4.410
  216   2HD   ARG  27           HD3      ARG  27  -2.392   7.586  -4.306
  217    HE   ARG  27           HE       ARG  27  -0.773   7.904  -1.826
  218   1HH1  ARG  27           HH22     ARG  27  -3.094   8.434  -0.977
  219   2HH1  ARG  27           HH21     ARG  27  -3.569  10.056  -1.394
  220   1HH2  ARG  27           HH12     ARG  27  -1.152  10.242  -3.926
  221   2HH2  ARG  27           HH11     ARG  27  -2.424  11.102  -3.123
  222    H    ALA  28           HN       ALA  28  -2.339   3.587  -3.520
  223    HA   ALA  28           HA       ALA  28  -4.367   3.700  -1.388
  224   1HB   ALA  28           HB1      ALA  28  -4.417   4.493  -3.986
  225   2HB   ALA  28           HB2      ALA  28  -5.202   2.917  -4.106
  226   3HB   ALA  28           HB3      ALA  28  -5.859   4.149  -3.029
  227    H    ASN  29           HN       ASN  29  -3.272   1.216  -3.796
  228    HA   ASN  29           HA       ASN  29  -5.064  -0.689  -2.605
  229   1HB   ASN  29           HB2      ASN  29  -3.284  -0.678  -4.821
  230   2HB   ASN  29           HB3      ASN  29  -3.017  -2.170  -3.904
  231   1HD2  ASN  29           HD21     ASN  29  -5.983  -0.219  -4.614
  232   2HD2  ASN  29           HD22     ASN  29  -6.858  -1.522  -5.258
  233    H    CYS  30           HN       CYS  30  -2.335   0.654  -1.395
  234    HA   CYS  30           HA       CYS  30  -2.137  -1.495   0.604
  235   1HB   CYS  30           HB2      CYS  30   0.126  -0.633  -1.226
  236   2HB   CYS  30           HB3      CYS  30   0.459  -1.209   0.417
  237    H    ALA  31           HN       ALA  31  -3.424   0.700   0.819
  238    HA   ALA  31           HA       ALA  31  -2.133   3.039   1.862
  239   1HB   ALA  31           HB1      ALA  31  -4.799   1.953   1.398
  240   2HB   ALA  31           HB2      ALA  31  -4.719   2.949   2.853
  241   3HB   ALA  31           HB3      ALA  31  -4.233   3.619   1.295
  242    H    LYS  32           HN       LYS  32  -2.272  -0.023   3.187
  243    HA   LYS  32           HA       LYS  32  -2.826   0.679   5.997
  244   1HB   LYS  32           HB2      LYS  32  -2.895  -1.592   6.304
  245   2HB   LYS  32           HB3      LYS  32  -3.094  -1.574   4.547
  246   1HG   LYS  32           HG2      LYS  32  -0.643  -1.841   4.291
  247   2HG   LYS  32           HG3      LYS  32  -0.487  -1.937   6.046
  248   1HD   LYS  32           HD2      LYS  32  -2.402  -3.821   5.600
  249   2HD   LYS  32           HD3      LYS  32  -1.449  -3.961   4.120
  250   1HE   LYS  32           HE2      LYS  32   0.220  -5.018   5.232
  251   2HE   LYS  32           HE3      LYS  32   0.300  -3.678   6.383
  252   1HZ   LYS  32           HZ3      LYS  32  -1.849  -5.684   6.573
  253   2HZ   LYS  32           HZ1      LYS  32  -0.326  -5.999   7.240
  254   3HZ   LYS  32           HZ2      LYS  32  -1.225  -4.661   7.779
  255    H    THR  33           HN       THR  33  -0.266  -0.065   3.873
  256    HA   THR  33           HA       THR  33   1.956   0.018   5.829
  257    HB   THR  33           HB       THR  33   1.274  -1.174   3.364
  258    HG1  THR  33           HG1      THR  33   2.353  -1.920   5.309
  259   1HG2  THR  33           HG22     THR  33   3.103   0.960   2.811
  260   2HG2  THR  33           HG23     THR  33   3.992  -0.572   2.785
  261   3HG2  THR  33           HG21     THR  33   2.584  -0.346   1.767
  262    H    CYS  34           HN       CYS  34   0.568   2.048   3.392
  263    HA   CYS  34           HA       CYS  34   2.670   4.114   3.742
  264   1HB   CYS  34           HB2      CYS  34   1.677   3.439   1.530
  265   2HB   CYS  34           HB3      CYS  34   0.156   4.150   2.046
  266    H    GLU  35           HN       GLU  35  -0.444   3.195   4.910
  267    HA   GLU  35           HA       GLU  35  -1.845   4.089   6.449
  268   1HB   GLU  35           HB2      GLU  35   0.444   6.052   6.775
  269   2HB   GLU  35           HB3      GLU  35  -1.007   6.063   7.810
  270   1HG   GLU  35           HG2      GLU  35  -0.758   3.758   8.359
  271   2HG   GLU  35           HG3      GLU  35   0.598   3.583   7.250
  272    H    LEU  36           HN       LEU  36  -1.969   4.560   3.768
  273    HA   LEU  36           HA       LEU  36  -3.051   7.265   3.320
  274   1HB   LEU  36           HB2      LEU  36  -2.812   4.782   1.652
  275   2HB   LEU  36           HB3      LEU  36  -3.326   6.296   0.973
  276    HG   LEU  36           HG       LEU  36  -0.671   5.831   2.364
  277   1HD1  LEU  36           HD11     LEU  36  -1.542   5.799  -0.511
  278   2HD1  LEU  36           HD12     LEU  36   0.109   6.270  -0.082
  279   3HD1  LEU  36           HD13     LEU  36  -0.512   4.679   0.380
  280   1HD2  LEU  36           HD22     LEU  36  -2.012   8.220   1.100
  281   2HD2  LEU  36           HD23     LEU  36  -1.079   8.139   2.594
  282   3HD2  LEU  36           HD21     LEU  36  -0.255   8.080   1.037
  283    H    CYS  37           HN       CYS  37  -4.107   4.360   4.735
  284    HA   CYS  37           HA       CYS  37  -6.823   4.490   3.594
  285   1HB   CYS  37           HB2      CYS  37  -5.905   2.288   4.145
  286   2HB   CYS  37           HB3      CYS  37  -5.639   2.791   5.814
   
  No H/Q in entry =         286
  Start of MODEL    9
    1   1H    VAL   1           HN       VAL   1 -13.731   1.742  -1.257
    2   2H    VAL   1           HN3      VAL   1 -14.997   0.789  -0.659
    3   3H    VAL   1           HN2      VAL   1 -14.913   2.438  -0.251
    4    HA   VAL   1           HA       VAL   1 -13.537   2.083   1.439
    5    HB   VAL   1           HB       VAL   1 -14.312  -0.756   0.726
    6   1HG1  VAL   1           HG11     VAL   1 -12.776   0.336   3.088
    7   2HG1  VAL   1           HG12     VAL   1 -13.664  -1.184   3.170
    8   3HG1  VAL   1           HG13     VAL   1 -12.333  -1.001   2.027
    9   1HG2  VAL   1           HG21     VAL   1 -16.043   1.000   1.449
   10   2HG2  VAL   1           HG22     VAL   1 -15.993  -0.481   2.405
   11   3HG2  VAL   1           HG23     VAL   1 -15.240   0.990   3.018
   12    H    CYS   2           HN       CYS   2 -11.364   2.371   1.480
   13    HA   CYS   2           HA       CYS   2  -9.730   0.753  -0.412
   14   1HB   CYS   2           HB2      CYS   2  -7.970   2.563   0.075
   15   2HB   CYS   2           HB3      CYS   2  -9.385   3.073  -0.845
   16    H    ARG   3           HN       ARG   3  -7.385   0.376   0.527
   17    HA   ARG   3           HA       ARG   3  -6.486   0.303   3.075
   18   1HB   ARG   3           HB2      ARG   3  -7.345  -2.021   3.872
   19   2HB   ARG   3           HB3      ARG   3  -8.431  -0.646   4.083
   20   1HG   ARG   3           HG2      ARG   3  -9.973  -1.642   2.795
   21   2HG   ARG   3           HG3      ARG   3  -8.829  -1.693   1.452
   22   1HD   ARG   3           HD2      ARG   3  -9.489  -3.963   1.884
   23   2HD   ARG   3           HD3      ARG   3  -7.848  -3.783   2.500
   24    HE   ARG   3           HE       ARG   3  -9.058  -4.740   4.372
   25   1HH1  ARG   3           HH12     ARG   3 -11.647  -3.233   3.382
   26   2HH1  ARG   3           HH11     ARG   3 -11.924  -2.221   4.760
   27   1HH2  ARG   3           HH22     ARG   3  -8.783  -2.763   6.123
   28   2HH2  ARG   3           HH21     ARG   3 -10.304  -1.956   6.311
   29    H    ASP   4           HN       ASP   4  -5.214  -1.970   3.499
   30    HA   ASP   4           HA       ASP   4  -3.515  -2.397   1.299
   31   1HB   ASP   4           HB2      ASP   4  -2.497  -3.854   2.721
   32   2HB   ASP   4           HB3      ASP   4  -3.778  -3.488   3.879
   33    H    TRP   5           HN       TRP   5  -3.540  -4.148  -0.381
   34    HA   TRP   5           HA       TRP   5  -6.133  -5.593  -0.528
   35   1HB   TRP   5           HB2      TRP   5  -5.179  -3.522  -2.479
   36   2HB   TRP   5           HB3      TRP   5  -6.039  -4.935  -3.107
   37    HD1  TRP   5           HD1      TRP   5  -6.599  -1.699  -1.430
   38    HE1  TRP   5           HE1      TRP   5  -9.073  -1.435  -0.748
   39    HE3  TRP   5           HE3      TRP   5  -8.197  -6.468  -2.171
   40    HZ2  TRP   5           HZ2      TRP   5 -11.432  -3.059  -0.544
   41    HZ3  TRP   5           HZ3      TRP   5 -10.554  -7.094  -1.728
   42    HH2  TRP   5           HH2      TRP   5 -12.170  -5.403  -0.919
   43    H    PHE   6           HN       PHE   6  -2.687  -5.251  -1.629
   44    HA   PHE   6           HA       PHE   6  -2.939  -7.759  -3.101
   45   1HB   PHE   6           HB2      PHE   6  -0.481  -6.242  -2.102
   46   2HB   PHE   6           HB3      PHE   6  -0.479  -7.535  -3.297
   47    HD1  PHE   6           HD2      PHE   6  -3.374  -6.187  -4.211
   48    HD2  PHE   6           HD1      PHE   6   0.752  -5.017  -3.990
   49    HE1  PHE   6           HE2      PHE   6  -3.752  -4.547  -5.990
   50    HE2  PHE   6           HE1      PHE   6   0.396  -3.379  -5.760
   51    HZ   PHE   6           HZ       PHE   6  -1.869  -3.135  -6.774
   52    H    LYS   7           HN       LYS   7  -0.212  -8.550  -1.719
   53    HA   LYS   7           HA       LYS   7  -1.450  -9.867   0.593
   54   1HB   LYS   7           HB2      LYS   7   0.727 -10.539  -0.893
   55   2HB   LYS   7           HB3      LYS   7   1.545  -9.570   0.334
   56   1HG   LYS   7           HG2      LYS   7   1.428 -12.018   0.891
   57   2HG   LYS   7           HG3      LYS   7   0.693 -10.975   2.108
   58   1HD   LYS   7           HD2      LYS   7  -1.240 -11.694   0.071
   59   2HD   LYS   7           HD3      LYS   7  -0.533 -13.135   0.804
   60   1HE   LYS   7           HE2      LYS   7  -0.965 -12.013   3.067
   61   2HE   LYS   7           HE3      LYS   7  -1.977 -10.870   2.185
   62   1HZ   LYS   7           HZ1      LYS   7  -2.322 -13.807   1.990
   63   2HZ   LYS   7           HZ2      LYS   7  -3.148 -12.854   3.129
   64   3HZ   LYS   7           HZ3      LYS   7  -3.388 -12.601   1.465
   65    H    GLU   8           HN       GLU   8  -0.964  -9.065   2.875
   66    HA   GLU   8           HA       GLU   8  -0.902  -6.228   3.083
   67   1HB   GLU   8           HB2      GLU   8   0.061  -8.279   5.108
   68   2HB   GLU   8           HB3      GLU   8  -0.273  -6.584   5.463
   69   1HG   GLU   8           HG2      GLU   8  -2.537  -6.866   5.386
   70   2HG   GLU   8           HG3      GLU   8  -2.447  -8.069   4.098
   71    H    THR   9           HN       THR   9   1.700  -8.404   2.366
   72    HA   THR   9           HA       THR   9   3.658  -6.381   3.189
   73    HB   THR   9           HB       THR   9   5.284  -8.197   2.378
   74    HG1  THR   9           HG1      THR   9   3.645 -10.208   2.615
   75   1HG2  THR   9           HG21     THR   9   3.554  -7.864   4.643
   76   2HG2  THR   9           HG22     THR   9   3.920  -9.580   4.429
   77   3HG2  THR   9           HG23     THR   9   5.232  -8.411   4.612
   78    H    ALA  10           HN       ALA  10   2.141  -7.511   0.218
   79    HA   ALA  10           HA       ALA  10   3.981  -6.489  -1.705
   80   1HB   ALA  10           HB2      ALA  10   1.235  -7.252  -1.817
   81   2HB   ALA  10           HB3      ALA  10   1.251  -5.553  -2.270
   82   3HB   ALA  10           HB1      ALA  10   2.209  -6.712  -3.188
   83    H    CYS  11           HN       CYS  11   1.560  -5.096   0.315
   84    HA   CYS  11           HA       CYS  11   1.702  -2.360  -0.415
   85   1HB   CYS  11           HB2      CYS  11   0.887  -3.774   2.166
   86   2HB   CYS  11           HB3      CYS  11   0.364  -2.159   1.650
   87    H    ARG  12           HN       ARG  12   3.052  -3.906   2.532
   88    HA   ARG  12           HA       ARG  12   4.624  -1.828   3.493
   89   1HB   ARG  12           HB2      ARG  12   4.306  -4.284   4.321
   90   2HB   ARG  12           HB3      ARG  12   5.794  -4.584   3.411
   91   1HG   ARG  12           HG2      ARG  12   6.604  -2.396   4.657
   92   2HG   ARG  12           HG3      ARG  12   5.361  -2.865   5.820
   93   1HD   ARG  12           HD2      ARG  12   6.750  -4.401   6.692
   94   2HD   ARG  12           HD3      ARG  12   6.824  -5.214   5.128
   95    HE   ARG  12           HE       ARG  12   8.576  -2.987   5.014
   96   1HH1  ARG  12           HH12     ARG  12   8.914  -4.176   7.865
   97   2HH1  ARG  12           HH11     ARG  12  10.273  -5.216   7.601
   98   1HH2  ARG  12           HH22     ARG  12  10.020  -5.108   4.143
   99   2HH2  ARG  12           HH21     ARG  12  10.901  -5.743   5.493
  100    H    HIS  13           HN       HIS  13   5.341  -3.784   0.633
  101    HA   HIS  13           HA       HIS  13   8.086  -2.883   0.445
  102   1HB   HIS  13           HB2      HIS  13   6.521  -4.647  -1.014
  103   2HB   HIS  13           HB3      HIS  13   6.586  -3.253  -2.103
  104    HD1  HIS  13           HD1      HIS  13   9.090  -5.206   0.047
  105    HD2  HIS  13           HD2      HIS  13   8.860  -3.202  -3.586
  106    HE1  HIS  13           HE1      HIS  13  11.357  -5.460  -1.054
  107    H    ALA  14           HN       ALA  14   5.089  -1.842  -1.173
  108    HA   ALA  14           HA       ALA  14   6.089   0.631  -2.175
  109   1HB   ALA  14           HB2      ALA  14   3.558  -0.699  -1.935
  110   2HB   ALA  14           HB3      ALA  14   3.367   0.993  -1.473
  111   3HB   ALA  14           HB1      ALA  14   4.039   0.588  -3.058
  112    H    LYS  15           HN       LYS  15   5.671  -0.203   1.181
  113    HA   LYS  15           HA       LYS  15   5.060   2.592   1.859
  114   1HB   LYS  15           HB2      LYS  15   4.142   1.393   3.590
  115   2HB   LYS  15           HB3      LYS  15   5.274   0.053   3.388
  116   1HG   LYS  15           HG2      LYS  15   7.043   1.351   4.473
  117   2HG   LYS  15           HG3      LYS  15   5.939   2.718   4.667
  118   1HD   LYS  15           HD2      LYS  15   4.610   0.469   5.740
  119   2HD   LYS  15           HD3      LYS  15   6.268   0.381   6.324
  120   1HE   LYS  15           HE2      LYS  15   6.092   2.799   7.001
  121   2HE   LYS  15           HE3      LYS  15   4.374   2.728   6.609
  122   1HZ   LYS  15           HZ3      LYS  15   4.690   0.552   8.153
  123   2HZ   LYS  15           HZ1      LYS  15   5.799   1.616   8.864
  124   3HZ   LYS  15           HZ2      LYS  15   4.166   2.068   8.719
  125    H    SER  16           HN       SER  16   7.925   0.393   2.611
  126    HA   SER  16           HA       SER  16   9.474   2.869   3.103
  127   1HB   SER  16           HB2      SER  16   9.515   0.359   4.260
  128   2HB   SER  16           HB3      SER  16  10.888   0.317   3.162
  129    HG   SER  16           HG       SER  16  11.215   2.574   4.183
  130    H    LEU  17           HN       LEU  17   8.581   1.495   0.403
  131    HA   LEU  17           HA       LEU  17  11.071   0.949  -1.045
  132   1HB   LEU  17           HB2      LEU  17   8.180   1.062  -1.549
  133   2HB   LEU  17           HB3      LEU  17   9.242   1.402  -2.904
  134    HG   LEU  17           HG       LEU  17   9.513  -1.023  -1.131
  135   1HD1  LEU  17           HD11     LEU  17   7.550  -0.232  -2.909
  136   2HD1  LEU  17           HD12     LEU  17   8.580  -1.219  -3.950
  137   3HD1  LEU  17           HD13     LEU  17   7.838  -1.920  -2.506
  138   1HD2  LEU  17           HD23     LEU  17  11.070   0.392  -3.123
  139   2HD2  LEU  17           HD21     LEU  17  11.543  -1.057  -2.231
  140   3HD2  LEU  17           HD22     LEU  17  10.660  -1.212  -3.759
  141    H    GLY  18           HN       GLY  18   8.356   3.081  -1.658
  142   1HA   GLY  18           HA1      GLY  18   9.345   5.616  -1.840
  143   2HA   GLY  18           HA2      GLY  18   9.966   4.817  -3.313
  144    H    ASN  19           HN       ASN  19   7.763   3.011  -3.694
  145    HA   ASN  19           HA       ASN  19   6.028   4.546  -5.334
  146   1HB   ASN  19           HB2      ASN  19   4.875   2.124  -4.218
  147   2HB   ASN  19           HB3      ASN  19   5.019   2.636  -5.828
  148   1HD2  ASN  19           HD22     ASN  19   7.220  -0.368  -4.896
  149   2HD2  ASN  19           HD21     ASN  19   5.685   0.050  -4.305
  150    H    CYS  20           HN       CYS  20   5.900   3.669  -1.955
  151    HA   CYS  20           HA       CYS  20   3.411   3.421  -1.055
  152   1HB   CYS  20           HB2      CYS  20   4.585   4.052   0.790
  153   2HB   CYS  20           HB3      CYS  20   5.480   5.316  -0.079
  154    H    ARG  21           HN       ARG  21   4.442   6.488  -2.519
  155    HA   ARG  21           HA       ARG  21   1.531   7.145  -2.738
  156   1HB   ARG  21           HB2      ARG  21   3.421   8.568  -1.323
  157   2HB   ARG  21           HB3      ARG  21   3.266   9.460  -2.843
  158   1HG   ARG  21           HG2      ARG  21   0.661   8.601  -1.951
  159   2HG   ARG  21           HG3      ARG  21   1.457   9.521  -0.670
  160   1HD   ARG  21           HD2      ARG  21   1.816  10.685  -3.345
  161   2HD   ARG  21           HD3      ARG  21   0.138  10.654  -2.808
  162    HE   ARG  21           HE       ARG  21   0.702  12.198  -1.085
  163   1HH1  ARG  21           HH22     ARG  21   3.123  11.026   0.057
  164   2HH1  ARG  21           HH21     ARG  21   4.376  12.107  -0.454
  165   1HH2  ARG  21           HH12     ARG  21   2.464  13.571  -2.949
  166   2HH2  ARG  21           HH11     ARG  21   4.003  13.547  -2.155
  167    H    THR  22           HN       THR  22   4.377   6.614  -4.597
  168    HA   THR  22           HA       THR  22   3.424   8.348  -6.795
  169    HB   THR  22           HB       THR  22   5.569   7.201  -7.868
  170    HG1  THR  22           HG1      THR  22   6.707   7.229  -5.439
  171   1HG2  THR  22           HG22     THR  22   5.218   9.616  -7.256
  172   2HG2  THR  22           HG23     THR  22   5.851   9.241  -5.653
  173   3HG2  THR  22           HG21     THR  22   6.880   9.054  -7.073
  174    H    SER  23           HN       SER  23   2.708   5.291  -5.687
  175    HA   SER  23           HA       SER  23   2.176   4.339  -8.466
  176   1HB   SER  23           HB2      SER  23   3.932   3.037  -7.290
  177   2HB   SER  23           HB3      SER  23   2.859   2.786  -5.933
  178    HG   SER  23           HG       SER  23   1.551   2.033  -8.103
  179    H    GLN  24           HN       GLN  24  -0.015   3.762  -8.814
  180    HA   GLN  24           HA       GLN  24  -1.868   4.895  -6.955
  181   1HB   GLN  24           HB2      GLN  24  -2.642   5.044  -9.104
  182   2HB   GLN  24           HB3      GLN  24  -2.093   3.425  -9.538
  183   1HG   GLN  24           HG2      GLN  24  -3.975   2.419  -8.741
  184   2HG   GLN  24           HG3      GLN  24  -4.170   3.578  -7.423
  185   1HE2  GLN  24           HE22     GLN  24  -6.687   4.085 -10.309
  186   2HE2  GLN  24           HE21     GLN  24  -6.120   2.637  -9.628
  187    H    LYS  25           HN       LYS  25  -2.142   1.452  -8.028
  188    HA   LYS  25           HA       LYS  25  -3.721   0.676  -5.840
  189   1HB   LYS  25           HB2      LYS  25  -2.463  -0.629  -7.923
  190   2HB   LYS  25           HB3      LYS  25  -1.652  -1.301  -6.508
  191   1HG   LYS  25           HG2      LYS  25  -3.568  -2.299  -5.696
  192   2HG   LYS  25           HG3      LYS  25  -4.616  -1.054  -6.364
  193   1HD   LYS  25           HD2      LYS  25  -3.146  -2.932  -8.200
  194   2HD   LYS  25           HD3      LYS  25  -4.672  -3.415  -7.459
  195   1HE   LYS  25           HE2      LYS  25  -4.571  -0.726  -8.743
  196   2HE   LYS  25           HE3      LYS  25  -4.605  -2.134  -9.805
  197   1HZ   LYS  25           HZ3      LYS  25  -6.465  -2.393  -7.666
  198   2HZ   LYS  25           HZ1      LYS  25  -6.753  -0.975  -8.546
  199   3HZ   LYS  25           HZ2      LYS  25  -6.729  -2.477  -9.343
  200    H    TYR  26           HN       TYR  26  -0.231   0.662  -6.115
  201    HA   TYR  26           HA       TYR  26   0.697  -0.256  -3.625
  202   1HB   TYR  26           HB2      TYR  26   1.446   1.470  -5.855
  203   2HB   TYR  26           HB3      TYR  26   2.406   1.669  -4.389
  204    HD1  TYR  26           HD2      TYR  26   0.873  -1.660  -4.799
  205    HD2  TYR  26           HD1      TYR  26   4.250   0.808  -5.736
  206    HE1  TYR  26           HE2      TYR  26   2.182  -3.642  -5.287
  207    HE2  TYR  26           HE1      TYR  26   5.605  -1.187  -6.234
  208    HH   TYR  26           HH       TYR  26   5.650  -3.449  -6.182
  209    H    ARG  27           HN       ARG  27  -0.483   3.107  -4.356
  210    HA   ARG  27           HA       ARG  27   0.247   3.848  -1.617
  211   1HB   ARG  27           HB2      ARG  27  -0.032   6.091  -2.319
  212   2HB   ARG  27           HB3      ARG  27   0.398   5.279  -3.820
  213   1HG   ARG  27           HG2      ARG  27  -1.819   5.280  -4.584
  214   2HG   ARG  27           HG3      ARG  27  -2.467   5.720  -2.983
  215   1HD   ARG  27           HD2      ARG  27  -0.479   7.629  -3.891
  216   2HD   ARG  27           HD3      ARG  27  -1.804   7.487  -5.051
  217    HE   ARG  27           HE       ARG  27  -2.992   7.643  -2.504
  218   1HH1  ARG  27           HH12     ARG  27  -3.206   9.553  -4.955
  219   2HH1  ARG  27           HH11     ARG  27  -2.808  11.058  -4.195
  220   1HH2  ARG  27           HH22     ARG  27  -1.516   9.568  -1.339
  221   2HH2  ARG  27           HH21     ARG  27  -1.849  11.067  -2.140
  222    H    ALA  28           HN       ALA  28  -2.756   3.702  -3.508
  223    HA   ALA  28           HA       ALA  28  -4.380   3.919  -1.077
  224   1HB   ALA  28           HB3      ALA  28  -4.807   4.509  -3.762
  225   2HB   ALA  28           HB1      ALA  28  -5.776   3.058  -3.498
  226   3HB   ALA  28           HB2      ALA  28  -6.041   4.490  -2.502
  227    H    ASN  29           HN       ASN  29  -4.089   1.386  -3.673
  228    HA   ASN  29           HA       ASN  29  -5.580  -0.462  -2.241
  229   1HB   ASN  29           HB2      ASN  29  -3.620  -0.817  -4.407
  230   2HB   ASN  29           HB3      ASN  29  -3.766  -2.218  -3.351
  231   1HD2  ASN  29           HD22     ASN  29  -7.211  -0.993  -5.248
  232   2HD2  ASN  29           HD21     ASN  29  -6.075   0.179  -4.779
  233    H    CYS  30           HN       CYS  30  -2.332   0.558  -1.683
  234    HA   CYS  30           HA       CYS  30  -2.114  -1.424   0.539
  235   1HB   CYS  30           HB2      CYS  30  -0.064  -0.363  -1.415
  236   2HB   CYS  30           HB3      CYS  30   0.425  -1.098   0.119
  237    H    ALA  31           HN       ALA  31  -3.457   0.798   0.895
  238    HA   ALA  31           HA       ALA  31  -1.917   3.066   1.855
  239   1HB   ALA  31           HB3      ALA  31  -4.370   2.809   0.883
  240   2HB   ALA  31           HB1      ALA  31  -4.778   2.536   2.570
  241   3HB   ALA  31           HB2      ALA  31  -4.025   4.054   2.086
  242    H    LYS  32           HN       LYS  32  -2.501   0.020   3.119
  243    HA   LYS  32           HA       LYS  32  -2.858   0.797   5.947
  244   1HB   LYS  32           HB2      LYS  32  -3.810  -1.253   5.812
  245   2HB   LYS  32           HB3      LYS  32  -2.973  -1.626   4.308
  246   1HG   LYS  32           HG2      LYS  32  -1.486  -1.661   6.933
  247   2HG   LYS  32           HG3      LYS  32  -2.427  -3.053   6.416
  248   1HD   LYS  32           HD2      LYS  32  -1.030  -2.525   4.136
  249   2HD   LYS  32           HD3      LYS  32   0.133  -2.017   5.358
  250   1HE   LYS  32           HE2      LYS  32  -1.088  -4.738   4.940
  251   2HE   LYS  32           HE3      LYS  32   0.617  -4.330   5.092
  252   1HZ   LYS  32           HZ3      LYS  32  -0.145  -3.505   7.429
  253   2HZ   LYS  32           HZ1      LYS  32  -1.434  -4.576   7.181
  254   3HZ   LYS  32           HZ2      LYS  32   0.164  -5.154   7.156
  255    H    THR  33           HN       THR  33  -0.390   0.039   3.676
  256    HA   THR  33           HA       THR  33   1.754  -0.410   5.654
  257    HB   THR  33           HB       THR  33   1.000  -1.269   3.127
  258    HG1  THR  33           HG1      THR  33   2.257  -2.179   4.939
  259   1HG2  THR  33           HG23     THR  33   2.643   0.933   2.590
  260   2HG2  THR  33           HG21     THR  33   3.717  -0.469   2.545
  261   3HG2  THR  33           HG22     THR  33   2.288  -0.410   1.523
  262    H    CYS  34           HN       CYS  34   0.472   2.094   3.638
  263    HA   CYS  34           HA       CYS  34   2.739   3.847   4.507
  264   1HB   CYS  34           HB2      CYS  34   2.009   3.468   1.968
  265   2HB   CYS  34           HB3      CYS  34   0.844   4.682   2.367
  266    H    GLU  35           HN       GLU  35  -0.462   3.115   5.180
  267    HA   GLU  35           HA       GLU  35  -2.084   4.174   6.392
  268   1HB   GLU  35           HB2      GLU  35   0.297   5.924   7.035
  269   2HB   GLU  35           HB3      GLU  35  -1.287   6.113   7.841
  270   1HG   GLU  35           HG2      GLU  35  -1.359   3.831   8.484
  271   2HG   GLU  35           HG3      GLU  35   0.077   3.452   7.540
  272    H    LEU  36           HN       LEU  36  -1.832   4.601   3.703
  273    HA   LEU  36           HA       LEU  36  -2.498   7.398   3.087
  274   1HB   LEU  36           HB2      LEU  36  -2.431   4.833   1.521
  275   2HB   LEU  36           HB3      LEU  36  -2.880   6.325   0.753
  276    HG   LEU  36           HG       LEU  36  -0.341   6.095   2.321
  277   1HD1  LEU  36           HD12     LEU  36  -0.351   4.295   0.587
  278   2HD1  LEU  36           HD13     LEU  36  -0.652   5.518  -0.648
  279   3HD1  LEU  36           HD11     LEU  36   0.860   5.531   0.257
  280   1HD2  LEU  36           HD22     LEU  36  -1.573   8.249   1.226
  281   2HD2  LEU  36           HD23     LEU  36   0.179   8.137   1.403
  282   3HD2  LEU  36           HD21     LEU  36  -0.580   7.745  -0.141
  283    H    CYS  37           HN       CYS  37  -4.044   4.589   4.337
  284    HA   CYS  37           HA       CYS  37  -6.592   5.830   4.466
  285   1HB   CYS  37           HB2      CYS  37  -7.154   5.587   2.251
  286   2HB   CYS  37           HB3      CYS  37  -6.046   4.236   2.009
   
  No H/Q in entry =         286
  Start of MODEL   10
    1   1H    VAL   1           HN3      VAL   1 -14.130   0.424   1.393
    2   2H    VAL   1           HN2      VAL   1 -14.917  -0.193   2.767
    3   3H    VAL   1           HN       VAL   1 -15.156   1.423   2.296
    4    HA   VAL   1           HA       VAL   1 -13.380   2.120   3.404
    5    HB   VAL   1           HB       VAL   1 -14.370   0.054   4.774
    6   1HG1  VAL   1           HG13     VAL   1 -12.710  -1.415   3.370
    7   2HG1  VAL   1           HG11     VAL   1 -11.506  -0.823   4.514
    8   3HG1  VAL   1           HG12     VAL   1 -12.900  -1.736   5.094
    9   1HG2  VAL   1           HG22     VAL   1 -12.668   2.163   5.300
   10   2HG2  VAL   1           HG23     VAL   1 -13.305   1.059   6.519
   11   3HG2  VAL   1           HG21     VAL   1 -11.712   0.775   5.819
   12    H    CYS   2           HN       CYS   2 -11.095   2.327   3.281
   13    HA   CYS   2           HA       CYS   2  -9.906   0.869   1.018
   14   1HB   CYS   2           HB2      CYS   2  -8.900   2.876   0.717
   15   2HB   CYS   2           HB3      CYS   2  -9.567   3.448   2.246
   16    H    ARG   3           HN       ARG   3  -7.557  -0.018   1.370
   17    HA   ARG   3           HA       ARG   3  -6.382  -0.499   3.848
   18   1HB   ARG   3           HB2      ARG   3  -7.209  -2.957   4.131
   19   2HB   ARG   3           HB3      ARG   3  -8.234  -1.656   4.738
   20   1HG   ARG   3           HG2      ARG   3  -9.893  -2.240   3.342
   21   2HG   ARG   3           HG3      ARG   3  -8.814  -2.122   1.951
   22   1HD   ARG   3           HD2      ARG   3  -9.822  -4.413   2.288
   23   2HD   ARG   3           HD3      ARG   3  -8.059  -4.392   2.244
   24    HE   ARG   3           HE       ARG   3  -8.185  -4.434   4.794
   25   1HH1  ARG   3           HH22     ARG   3 -11.332  -4.489   3.834
   26   2HH1  ARG   3           HH21     ARG   3 -11.742  -6.009   4.554
   27   1HH2  ARG   3           HH12     ARG   3  -8.460  -6.854   5.281
   28   2HH2  ARG   3           HH11     ARG   3 -10.118  -7.349   5.373
   29    H    ASP   4           HN       ASP   4  -4.845  -2.469   3.701
   30    HA   ASP   4           HA       ASP   4  -3.422  -2.452   1.288
   31   1HB   ASP   4           HB2      ASP   4  -2.609  -4.783   2.009
   32   2HB   ASP   4           HB3      ASP   4  -2.375  -3.490   3.186
   33    H    TRP   5           HN       TRP   5  -3.325  -4.265  -0.423
   34    HA   TRP   5           HA       TRP   5  -5.958  -5.657  -0.631
   35   1HB   TRP   5           HB2      TRP   5  -4.897  -3.560  -2.471
   36   2HB   TRP   5           HB3      TRP   5  -5.722  -4.943  -3.202
   37    HD1  TRP   5           HD1      TRP   5  -6.427  -1.736  -1.525
   38    HE1  TRP   5           HE1      TRP   5  -8.924  -1.548  -0.926
   39    HE3  TRP   5           HE3      TRP   5  -7.863  -6.564  -2.288
   40    HZ2  TRP   5           HZ2      TRP   5 -11.240  -3.238  -0.788
   41    HZ3  TRP   5           HZ3      TRP   5 -10.213  -7.253  -1.916
   42    HH2  TRP   5           HH2      TRP   5 -11.900  -5.603  -1.169
   43    H    PHE   6           HN       PHE   6  -2.443  -5.568  -1.423
   44    HA   PHE   6           HA       PHE   6  -2.743  -7.923  -3.137
   45   1HB   PHE   6           HB2      PHE   6  -0.324  -6.503  -1.919
   46   2HB   PHE   6           HB3      PHE   6  -0.247  -7.775  -3.152
   47    HD1  PHE   6           HD1      PHE   6  -2.330  -7.165  -4.996
   48    HD2  PHE   6           HD2      PHE   6   0.239  -4.513  -2.821
   49    HE1  PHE   6           HE1      PHE   6  -2.634  -5.454  -6.732
   50    HE2  PHE   6           HE2      PHE   6  -0.046  -2.805  -4.525
   51    HZ   PHE   6           HZ       PHE   6  -1.491  -3.261  -6.506
   52    H    LYS   7           HN       LYS   7  -0.173  -8.939  -1.595
   53    HA   LYS   7           HA       LYS   7  -1.802 -10.432   0.364
   54   1HB   LYS   7           HB2      LYS   7   0.523 -11.024  -1.103
   55   2HB   LYS   7           HB3      LYS   7   1.017 -11.012   0.591
   56   1HG   LYS   7           HG2      LYS   7   0.234 -13.157   0.544
   57   2HG   LYS   7           HG3      LYS   7  -1.318 -12.360   0.809
   58   1HD   LYS   7           HD2      LYS   7  -2.025 -13.314  -1.102
   59   2HD   LYS   7           HD3      LYS   7  -0.935 -12.220  -1.955
   60   1HE   LYS   7           HE2      LYS   7   0.787 -14.186  -1.094
   61   2HE   LYS   7           HE3      LYS   7  -0.672 -15.106  -1.464
   62   1HZ   LYS   7           HZ3      LYS   7   0.421 -13.090  -3.333
   63   2HZ   LYS   7           HZ1      LYS   7   0.948 -14.699  -3.352
   64   3HZ   LYS   7           HZ2      LYS   7  -0.686 -14.341  -3.653
   65    H    GLU   8           HN       GLU   8  -1.347  -7.576   0.922
   66    HA   GLU   8           HA       GLU   8  -1.031  -6.251   2.791
   67   1HB   GLU   8           HB2      GLU   8  -1.608  -8.742   3.685
   68   2HB   GLU   8           HB3      GLU   8  -0.100  -8.403   4.547
   69   1HG   GLU   8           HG2      GLU   8  -0.998  -6.544   5.648
   70   2HG   GLU   8           HG3      GLU   8  -2.241  -6.299   4.419
   71    H    THR   9           HN       THR   9   1.674  -8.361   1.854
   72    HA   THR   9           HA       THR   9   3.485  -6.534   3.294
   73    HB   THR   9           HB       THR   9   5.175  -8.297   2.675
   74    HG1  THR   9           HG1      THR   9   4.470  -9.275   0.890
   75   1HG2  THR   9           HG21     THR   9   2.932  -8.350   4.404
   76   2HG2  THR   9           HG22     THR   9   3.196 -10.003   3.839
   77   3HG2  THR   9           HG23     THR   9   4.500  -9.125   4.649
   78    H    ALA  10           HN       ALA  10   2.398  -7.486   0.107
   79    HA   ALA  10           HA       ALA  10   4.328  -6.294  -1.597
   80   1HB   ALA  10           HB3      ALA  10   1.939  -7.407  -2.126
   81   2HB   ALA  10           HB1      ALA  10   1.377  -5.742  -1.990
   82   3HB   ALA  10           HB2      ALA  10   2.574  -6.171  -3.213
   83    H    CYS  11           HN       CYS  11   1.696  -5.085   0.319
   84    HA   CYS  11           HA       CYS  11   1.734  -2.328  -0.280
   85   1HB   CYS  11           HB2      CYS  11   1.011  -3.851   2.275
   86   2HB   CYS  11           HB3      CYS  11   0.433  -2.233   1.838
   87    H    ARG  12           HN       ARG  12   3.102  -3.902   2.619
   88    HA   ARG  12           HA       ARG  12   4.692  -1.843   3.642
   89   1HB   ARG  12           HB2      ARG  12   4.942  -3.682   4.989
   90   2HB   ARG  12           HB3      ARG  12   4.877  -4.809   3.629
   91   1HG   ARG  12           HG2      ARG  12   7.131  -4.498   3.085
   92   2HG   ARG  12           HG3      ARG  12   7.237  -2.974   3.968
   93   1HD   ARG  12           HD2      ARG  12   7.407  -4.018   6.037
   94   2HD   ARG  12           HD3      ARG  12   6.574  -5.472   5.486
   95    HE   ARG  12           HE       ARG  12   8.644  -6.212   4.453
   96   1HH1  ARG  12           HH12     ARG  12   9.277  -3.022   4.509
   97   2HH1  ARG  12           HH11     ARG  12  10.791  -3.104   5.346
   98   1HH2  ARG  12           HH22     ARG  12  10.407  -6.429   6.258
   99   2HH2  ARG  12           HH21     ARG  12  11.431  -5.034   6.338
  100    H    HIS  13           HN       HIS  13   5.204  -3.640   0.663
  101    HA   HIS  13           HA       HIS  13   7.976  -2.925   0.392
  102   1HB   HIS  13           HB2      HIS  13   6.064  -4.294  -1.181
  103   2HB   HIS  13           HB3      HIS  13   6.410  -2.840  -2.116
  104    HD1  HIS  13           HD1      HIS  13   8.043  -3.593  -3.863
  105    HD2  HIS  13           HD2      HIS  13   9.038  -5.048  -0.086
  106    HE1  HIS  13           HE1      HIS  13  10.275  -4.756  -4.112
  107    H    ALA  14           HN       ALA  14   5.216  -1.596  -1.381
  108    HA   ALA  14           HA       ALA  14   6.027   0.844  -2.187
  109   1HB   ALA  14           HB1      ALA  14   3.572  -0.280  -1.743
  110   2HB   ALA  14           HB2      ALA  14   3.535   1.122  -0.679
  111   3HB   ALA  14           HB3      ALA  14   3.847   1.334  -2.410
  112    H    LYS  15           HN       LYS  15   5.028   0.272   1.284
  113    HA   LYS  15           HA       LYS  15   5.292   2.912   2.152
  114   1HB   LYS  15           HB2      LYS  15   4.222   1.410   3.605
  115   2HB   LYS  15           HB3      LYS  15   5.427   0.150   3.350
  116   1HG   LYS  15           HG2      LYS  15   6.549   2.579   4.462
  117   2HG   LYS  15           HG3      LYS  15   5.307   1.857   5.491
  118   1HD   LYS  15           HD2      LYS  15   6.828  -0.317   4.612
  119   2HD   LYS  15           HD3      LYS  15   8.027   0.928   4.969
  120   1HE   LYS  15           HE2      LYS  15   6.799   1.279   7.184
  121   2HE   LYS  15           HE3      LYS  15   5.942  -0.222   6.830
  122   1HZ   LYS  15           HZ1      LYS  15   8.551  -0.830   6.356
  123   2HZ   LYS  15           HZ2      LYS  15   8.630   0.174   7.726
  124   3HZ   LYS  15           HZ3      LYS  15   7.678  -1.235   7.750
  125    H    SER  16           HN       SER  16   7.864   0.254   2.163
  126    HA   SER  16           HA       SER  16   9.758   2.415   2.803
  127   1HB   SER  16           HB2      SER  16   9.560  -0.241   3.576
  128   2HB   SER  16           HB3      SER  16  10.961  -0.178   2.516
  129    HG   SER  16           HG       SER  16  11.154   0.390   4.902
  130    H    LEU  17           HN       LEU  17   8.738   1.241  -0.189
  131    HA   LEU  17           HA       LEU  17  11.530   1.484  -1.251
  132   1HB   LEU  17           HB2      LEU  17   9.330   1.226  -3.191
  133   2HB   LEU  17           HB3      LEU  17  10.904   0.430  -3.196
  134    HG   LEU  17           HG       LEU  17   9.160  -0.574  -1.093
  135   1HD1  LEU  17           HD12     LEU  17   7.659   0.424  -2.996
  136   2HD1  LEU  17           HD13     LEU  17   8.307  -0.891  -3.968
  137   3HD1  LEU  17           HD11     LEU  17   7.308  -1.260  -2.561
  138   1HD2  LEU  17           HD23     LEU  17  11.242  -1.496  -2.557
  139   2HD2  LEU  17           HD21     LEU  17  10.048  -2.606  -1.880
  140   3HD2  LEU  17           HD22     LEU  17   9.927  -2.101  -3.567
  141    H    GLY  18           HN       GLY  18   8.193   2.563  -1.895
  142   1HA   GLY  18           HA1      GLY  18   8.666   5.306  -1.936
  143   2HA   GLY  18           HA2      GLY  18   9.140   4.711  -3.536
  144    H    ASN  19           HN       ASN  19   7.301   2.884  -4.179
  145    HA   ASN  19           HA       ASN  19   5.191   4.193  -5.256
  146   1HB   ASN  19           HB2      ASN  19   4.179   1.685  -4.217
  147   2HB   ASN  19           HB3      ASN  19   4.342   2.291  -5.807
  148   1HD2  ASN  19           HD22     ASN  19   6.740  -0.642  -4.898
  149   2HD2  ASN  19           HD21     ASN  19   5.236  -0.324  -4.192
  150    H    CYS  20           HN       CYS  20   5.412   3.563  -1.812
  151    HA   CYS  20           HA       CYS  20   2.909   3.344  -0.824
  152   1HB   CYS  20           HB2      CYS  20   4.193   3.898   0.964
  153   2HB   CYS  20           HB3      CYS  20   5.201   5.005   0.019
  154    H    ARG  21           HN       ARG  21   4.122   6.259  -2.427
  155    HA   ARG  21           HA       ARG  21   1.278   7.240  -2.533
  156   1HB   ARG  21           HB2      ARG  21   3.767   8.529  -1.674
  157   2HB   ARG  21           HB3      ARG  21   2.640   9.525  -2.602
  158   1HG   ARG  21           HG2      ARG  21   0.987   8.129  -0.848
  159   2HG   ARG  21           HG3      ARG  21   2.379   8.553   0.154
  160   1HD   ARG  21           HD2      ARG  21   0.831  10.519  -1.559
  161   2HD   ARG  21           HD3      ARG  21   0.625  10.325   0.181
  162    HE   ARG  21           HE       ARG  21   3.000  11.080   0.424
  163   1HH1  ARG  21           HH22     ARG  21   4.297  10.987  -2.065
  164   2HH1  ARG  21           HH21     ARG  21   4.021  12.531  -2.798
  165   1HH2  ARG  21           HH12     ARG  21   1.360  13.336  -0.725
  166   2HH2  ARG  21           HH11     ARG  21   2.359  13.862  -2.040
  167    H    THR  22           HN       THR  22   3.751   6.181  -4.444
  168    HA   THR  22           HA       THR  22   3.269   8.173  -6.602
  169    HB   THR  22           HB       THR  22   5.396   7.810  -7.283
  170    HG1  THR  22           HG1      THR  22   5.852   5.909  -8.032
  171   1HG2  THR  22           HG21     THR  22   5.470   7.879  -4.716
  172   2HG2  THR  22           HG22     THR  22   5.758   6.141  -4.801
  173   3HG2  THR  22           HG23     THR  22   6.898   7.261  -5.547
  174    H    SER  23           HN       SER  23   2.258   5.031  -5.636
  175    HA   SER  23           HA       SER  23   1.475   4.483  -8.475
  176   1HB   SER  23           HB2      SER  23   2.624   2.822  -6.298
  177   2HB   SER  23           HB3      SER  23   1.322   2.065  -7.210
  178    HG   SER  23           HG       SER  23   3.112   3.412  -8.785
  179    H    GLN  24           HN       GLN  24  -0.790   3.829  -8.736
  180    HA   GLN  24           HA       GLN  24  -2.438   4.901  -6.584
  181   1HB   GLN  24           HB2      GLN  24  -3.347   3.508  -9.122
  182   2HB   GLN  24           HB3      GLN  24  -4.349   4.492  -8.055
  183   1HG   GLN  24           HG2      GLN  24  -3.302   6.483  -8.679
  184   2HG   GLN  24           HG3      GLN  24  -1.848   5.658  -9.245
  185   1HE2  GLN  24           HE22     GLN  24  -4.365   6.656 -12.039
  186   2HE2  GLN  24           HE21     GLN  24  -4.023   7.492 -10.602
  187    H    LYS  25           HN       LYS  25  -1.778   1.598  -7.825
  188    HA   LYS  25           HA       LYS  25  -3.578   0.499  -5.739
  189   1HB   LYS  25           HB2      LYS  25  -3.024  -0.250  -8.312
  190   2HB   LYS  25           HB3      LYS  25  -1.994  -1.321  -7.327
  191   1HG   LYS  25           HG2      LYS  25  -3.745  -2.325  -6.259
  192   2HG   LYS  25           HG3      LYS  25  -4.725  -0.865  -6.320
  193   1HD   LYS  25           HD2      LYS  25  -4.197  -2.692  -8.689
  194   2HD   LYS  25           HD3      LYS  25  -5.688  -2.672  -7.748
  195   1HE   LYS  25           HE2      LYS  25  -6.436  -0.775  -8.741
  196   2HE   LYS  25           HE3      LYS  25  -4.842  -0.020  -8.717
  197   1HZ   LYS  25           HZ2      LYS  25  -4.761  -2.189 -10.477
  198   2HZ   LYS  25           HZ3      LYS  25  -6.136  -1.267 -10.863
  199   3HZ   LYS  25           HZ1      LYS  25  -4.610  -0.535 -10.843
  200    H    TYR  26           HN       TYR  26  -1.461   1.776  -4.952
  201    HA   TYR  26           HA       TYR  26   0.336  -0.135  -3.519
  202   1HB   TYR  26           HB2      TYR  26   0.906   2.101  -5.385
  203   2HB   TYR  26           HB3      TYR  26   2.027   1.912  -3.999
  204    HD1  TYR  26           HD2      TYR  26   0.397  -0.031  -6.770
  205    HD2  TYR  26           HD1      TYR  26   3.379   0.070  -3.701
  206    HE1  TYR  26           HE2      TYR  26   1.336  -2.154  -7.591
  207    HE2  TYR  26           HE1      TYR  26   4.330  -2.026  -4.488
  208    HH   TYR  26           HH       TYR  26   3.303  -3.470  -7.532
  209    H    ARG  27           HN       ARG  27  -0.297   3.325  -4.043
  210    HA   ARG  27           HA       ARG  27  -0.221   4.069  -1.255
  211   1HB   ARG  27           HB2      ARG  27  -0.260   6.252  -2.132
  212   2HB   ARG  27           HB3      ARG  27   0.098   5.394  -3.635
  213   1HG   ARG  27           HG2      ARG  27  -2.178   5.394  -4.276
  214   2HG   ARG  27           HG3      ARG  27  -2.709   6.020  -2.696
  215   1HD   ARG  27           HD2      ARG  27  -0.663   7.697  -3.924
  216   2HD   ARG  27           HD3      ARG  27  -2.088   7.542  -4.952
  217    HE   ARG  27           HE       ARG  27  -3.041   8.061  -2.354
  218   1HH1  ARG  27           HH22     ARG  27  -0.320   9.646  -3.198
  219   2HH1  ARG  27           HH21     ARG  27  -1.030  11.211  -3.409
  220   1HH2  ARG  27           HH12     ARG  27  -4.291  10.043  -3.293
  221   2HH2  ARG  27           HH11     ARG  27  -3.276  11.436  -3.464
  222    H    ALA  28           HN       ALA  28  -2.585   3.301  -3.697
  223    HA   ALA  28           HA       ALA  28  -4.816   3.718  -1.788
  224   1HB   ALA  28           HB3      ALA  28  -4.640   4.201  -4.506
  225   2HB   ALA  28           HB1      ALA  28  -5.510   2.668  -4.441
  226   3HB   ALA  28           HB2      ALA  28  -6.143   4.078  -3.591
  227    H    ASN  29           HN       ASN  29  -3.492   1.040  -3.882
  228    HA   ASN  29           HA       ASN  29  -5.356  -0.726  -2.586
  229   1HB   ASN  29           HB2      ASN  29  -3.419  -1.118  -4.695
  230   2HB   ASN  29           HB3      ASN  29  -3.269  -2.409  -3.508
  231   1HD2  ASN  29           HD22     ASN  29  -7.090  -1.973  -4.932
  232   2HD2  ASN  29           HD21     ASN  29  -6.244  -0.608  -4.383
  233    H    CYS  30           HN       CYS  30  -2.219   0.452  -1.875
  234    HA   CYS  30           HA       CYS  30  -2.147  -1.319   0.522
  235   1HB   CYS  30           HB2      CYS  30   0.126  -0.488  -1.305
  236   2HB   CYS  30           HB3      CYS  30   0.389  -1.170   0.304
  237    H    ALA  31           HN       ALA  31  -3.401   0.563   1.247
  238    HA   ALA  31           HA       ALA  31  -1.841   2.989   1.942
  239   1HB   ALA  31           HB3      ALA  31  -4.673   2.244   1.552
  240   2HB   ALA  31           HB1      ALA  31  -4.390   3.353   2.893
  241   3HB   ALA  31           HB2      ALA  31  -3.871   3.786   1.261
  242    H    LYS  32           HN       LYS  32  -2.412  -0.029   3.242
  243    HA   LYS  32           HA       LYS  32  -2.834   0.795   6.041
  244   1HB   LYS  32           HB2      LYS  32  -3.745  -1.270   5.960
  245   2HB   LYS  32           HB3      LYS  32  -2.950  -1.626   4.430
  246   1HG   LYS  32           HG2      LYS  32  -1.379  -1.693   7.006
  247   2HG   LYS  32           HG3      LYS  32  -2.356  -3.071   6.522
  248   1HD   LYS  32           HD2      LYS  32  -1.046  -2.551   4.189
  249   2HD   LYS  32           HD3      LYS  32   0.173  -2.069   5.368
  250   1HE   LYS  32           HE2      LYS  32  -1.114  -4.770   4.997
  251   2HE   LYS  32           HE3      LYS  32   0.602  -4.386   5.059
  252   1HZ   LYS  32           HZ3      LYS  32  -0.216  -3.501   7.442
  253   2HZ   LYS  32           HZ1      LYS  32  -1.283  -4.797   7.222
  254   3HZ   LYS  32           HZ2      LYS  32   0.395  -5.064   7.167
  255    H    THR  33           HN       THR  33  -0.334   0.011   3.823
  256    HA   THR  33           HA       THR  33   1.844  -0.349   5.781
  257    HB   THR  33           HB       THR  33   1.065  -1.252   3.270
  258    HG1  THR  33           HG1      THR  33   3.311  -1.530   4.884
  259   1HG2  THR  33           HG23     THR  33   2.649   0.976   2.700
  260   2HG2  THR  33           HG21     THR  33   3.772  -0.384   2.671
  261   3HG2  THR  33           HG22     THR  33   2.338  -0.382   1.643
  262    H    CYS  34           HN       CYS  34   0.392   2.162   3.963
  263    HA   CYS  34           HA       CYS  34   2.678   3.931   4.747
  264   1HB   CYS  34           HB2      CYS  34   2.021   3.525   2.215
  265   2HB   CYS  34           HB3      CYS  34   0.768   4.655   2.567
  266    H    GLU  35           HN       GLU  35  -0.431   3.159   5.575
  267    HA   GLU  35           HA       GLU  35  -2.059   4.231   6.774
  268   1HB   GLU  35           HB2      GLU  35   0.299   6.046   7.303
  269   2HB   GLU  35           HB3      GLU  35  -1.260   6.199   8.161
  270   1HG   GLU  35           HG2      GLU  35  -1.244   3.901   8.802
  271   2HG   GLU  35           HG3      GLU  35   0.212   3.593   7.863
  272    H    LEU  36           HN       LEU  36  -1.851   4.642   4.043
  273    HA   LEU  36           HA       LEU  36  -2.611   7.407   3.409
  274   1HB   LEU  36           HB2      LEU  36  -2.454   4.796   1.949
  275   2HB   LEU  36           HB3      LEU  36  -2.965   6.240   1.105
  276    HG   LEU  36           HG       LEU  36  -0.403   6.077   2.678
  277   1HD1  LEU  36           HD11     LEU  36  -0.623   4.413   0.707
  278   2HD1  LEU  36           HD12     LEU  36  -0.578   5.834  -0.332
  279   3HD1  LEU  36           HD13     LEU  36   0.789   5.466   0.720
  280   1HD2  LEU  36           HD22     LEU  36  -1.703   8.267   1.759
  281   2HD2  LEU  36           HD23     LEU  36   0.056   8.180   1.851
  282   3HD2  LEU  36           HD21     LEU  36  -0.762   7.865   0.321
  283    H    CYS  37           HN       CYS  37  -4.071   4.603   4.764
  284    HA   CYS  37           HA       CYS  37  -6.659   4.824   3.480
  285   1HB   CYS  37           HB2      CYS  37  -5.464   2.964   5.091
  286   2HB   CYS  37           HB3      CYS  37  -6.554   3.755   6.232
   
  No H/Q in entry =         286
  Start of MODEL   11
    1   1H    VAL   1           HN3      VAL   1 -13.861   3.283   3.153
    2   2H    VAL   1           HN2      VAL   1 -14.861   2.254   2.240
    3   3H    VAL   1           HN       VAL   1 -15.178   2.515   3.890
    4    HA   VAL   1           HA       VAL   1 -13.537   1.127   4.593
    5    HB   VAL   1           HB       VAL   1 -15.117  -0.186   3.208
    6   1HG1  VAL   1           HG12     VAL   1 -13.848   1.173   1.094
    7   2HG1  VAL   1           HG13     VAL   1 -13.382  -0.517   0.909
    8   3HG1  VAL   1           HG11     VAL   1 -15.088  -0.075   0.956
    9   1HG2  VAL   1           HG23     VAL   1 -13.041  -1.190   4.309
   10   2HG2  VAL   1           HG21     VAL   1 -13.708  -2.121   2.968
   11   3HG2  VAL   1           HG22     VAL   1 -12.276  -1.122   2.722
   12    H    CYS   2           HN       CYS   2 -11.343   1.216   4.802
   13    HA   CYS   2           HA       CYS   2  -9.776   1.839   2.342
   14   1HB   CYS   2           HB2      CYS   2  -8.272   3.197   3.669
   15   2HB   CYS   2           HB3      CYS   2  -9.917   3.739   3.998
   16    H    ARG   3           HN       ARG   3  -7.436   0.943   2.513
   17    HA   ARG   3           HA       ARG   3  -6.272  -0.642   4.379
   18   1HB   ARG   3           HB2      ARG   3  -7.058  -2.991   3.712
   19   2HB   ARG   3           HB3      ARG   3  -8.151  -2.066   4.738
   20   1HG   ARG   3           HG2      ARG   3  -9.732  -1.866   3.113
   21   2HG   ARG   3           HG3      ARG   3  -8.529  -1.608   1.849
   22   1HD   ARG   3           HD2      ARG   3  -9.272  -3.684   1.201
   23   2HD   ARG   3           HD3      ARG   3  -8.022  -4.189   2.339
   24    HE   ARG   3           HE       ARG   3  -9.812  -4.560   4.006
   25   1HH1  ARG   3           HH22     ARG   3 -11.391  -2.877   1.648
   26   2HH1  ARG   3           HH21     ARG   3 -12.677  -4.013   1.412
   27   1HH2  ARG   3           HH12     ARG   3 -11.191  -6.497   3.322
   28   2HH2  ARG   3           HH11     ARG   3 -12.564  -6.061   2.359
   29    H    ASP   4           HN       ASP   4  -5.296  -2.840   3.117
   30    HA   ASP   4           HA       ASP   4  -3.895  -1.657   0.830
   31   1HB   ASP   4           HB2      ASP   4  -2.302  -3.309   1.175
   32   2HB   ASP   4           HB3      ASP   4  -3.025  -3.270   2.782
   33    H    TRP   5           HN       TRP   5  -3.484  -4.069  -0.728
   34    HA   TRP   5           HA       TRP   5  -6.186  -5.001  -1.415
   35   1HB   TRP   5           HB2      TRP   5  -4.653  -3.021  -3.076
   36   2HB   TRP   5           HB3      TRP   5  -5.519  -4.297  -3.933
   37    HD1  TRP   5           HD1      TRP   5  -6.151  -0.943  -2.640
   38    HE1  TRP   5           HE1      TRP   5  -8.660  -0.550  -2.286
   39    HE3  TRP   5           HE3      TRP   5  -7.856  -5.756  -2.916
   40    HZ2  TRP   5           HZ2      TRP   5 -11.091  -2.064  -2.135
   41    HZ3  TRP   5           HZ3      TRP   5 -10.268  -6.247  -2.662
   42    HH2  TRP   5           HH2      TRP   5 -11.887  -4.413  -2.272
   43    H    PHE   6           HN       PHE   6  -2.622  -5.037  -2.126
   44    HA   PHE   6           HA       PHE   6  -2.866  -7.636  -3.454
   45   1HB   PHE   6           HB2      PHE   6  -0.443  -6.153  -2.358
   46   2HB   PHE   6           HB3      PHE   6  -0.424  -7.437  -3.573
   47    HD1  PHE   6           HD1      PHE   6  -3.023  -6.270  -4.960
   48    HD2  PHE   6           HD2      PHE   6   0.757  -4.670  -3.690
   49    HE1  PHE   6           HE1      PHE   6  -3.189  -4.551  -6.655
   50    HE2  PHE   6           HE2      PHE   6   0.627  -2.952  -5.360
   51    HZ   PHE   6           HZ       PHE   6  -1.361  -2.847  -6.894
   52    H    LYS   7           HN       LYS   7  -0.239  -8.316  -1.774
   53    HA   LYS   7           HA       LYS   7  -1.683  -9.536   0.489
   54   1HB   LYS   7           HB2      LYS   7   1.220  -9.623  -0.445
   55   2HB   LYS   7           HB3      LYS   7   0.647 -10.459   1.000
   56   1HG   LYS   7           HG2      LYS   7  -0.513 -10.896  -1.763
   57   2HG   LYS   7           HG3      LYS   7   0.734 -11.919  -1.049
   58   1HD   LYS   7           HD2      LYS   7  -0.989 -13.119  -0.203
   59   2HD   LYS   7           HD3      LYS   7  -1.137 -11.806   0.966
   60   1HE   LYS   7           HE2      LYS   7  -3.271 -11.681   0.170
   61   2HE   LYS   7           HE3      LYS   7  -2.514 -10.746  -1.120
   62   1HZ   LYS   7           HZ3      LYS   7  -2.637 -13.680  -1.315
   63   2HZ   LYS   7           HZ1      LYS   7  -4.002 -12.759  -1.708
   64   3HZ   LYS   7           HZ2      LYS   7  -2.547 -12.521  -2.556
   65    H    GLU   8           HN       GLU   8  -1.068  -8.916   2.736
   66    HA   GLU   8           HA       GLU   8  -0.739  -6.133   3.149
   67   1HB   GLU   8           HB2      GLU   8  -0.476  -8.563   4.858
   68   2HB   GLU   8           HB3      GLU   8   0.159  -7.039   5.488
   69   1HG   GLU   8           HG2      GLU   8  -2.027  -6.853   6.199
   70   2HG   GLU   8           HG3      GLU   8  -2.158  -6.108   4.603
   71    H    THR   9           HN       THR   9   1.633  -8.450   2.295
   72    HA   THR   9           HA       THR   9   3.817  -6.761   3.321
   73    HB   THR   9           HB       THR   9   5.223  -8.690   2.528
   74    HG1  THR   9           HG1      THR   9   3.730  -9.303   0.840
   75   1HG2  THR   9           HG21     THR   9   3.177  -8.485   4.539
   76   2HG2  THR   9           HG22     THR   9   3.426 -10.181   4.104
   77   3HG2  THR   9           HG23     THR   9   4.785  -9.201   4.669
   78    H    ALA  10           HN       ALA  10   2.283  -7.592   0.265
   79    HA   ALA  10           HA       ALA  10   4.205  -6.551  -1.577
   80   1HB   ALA  10           HB3      ALA  10   1.174  -6.376  -1.490
   81   2HB   ALA  10           HB1      ALA  10   2.080  -5.657  -2.819
   82   3HB   ALA  10           HB2      ALA  10   2.137  -7.405  -2.554
   83    H    CYS  11           HN       CYS  11   1.977  -5.125   0.697
   84    HA   CYS  11           HA       CYS  11   2.472  -2.388  -0.089
   85   1HB   CYS  11           HB2      CYS  11   0.979  -3.772   2.165
   86   2HB   CYS  11           HB3      CYS  11   0.839  -2.036   1.826
   87    H    ARG  12           HN       ARG  12   3.759  -4.553   2.408
   88    HA   ARG  12           HA       ARG  12   5.145  -2.560   3.909
   89   1HB   ARG  12           HB2      ARG  12   5.699  -4.671   4.800
   90   2HB   ARG  12           HB3      ARG  12   5.832  -5.417   3.192
   91   1HG   ARG  12           HG2      ARG  12   7.887  -4.409   2.727
   92   2HG   ARG  12           HG3      ARG  12   7.697  -3.208   3.999
   93   1HD   ARG  12           HD2      ARG  12   7.581  -5.806   5.206
   94   2HD   ARG  12           HD3      ARG  12   9.014  -5.736   4.179
   95    HE   ARG  12           HE       ARG  12   9.602  -3.612   5.452
   96   1HH1  ARG  12           HH22     ARG  12   7.012  -3.490   7.000
   97   2HH1  ARG  12           HH21     ARG  12   7.485  -4.159   8.526
   98   1HH2  ARG  12           HH12     ARG  12  10.414  -5.554   7.309
   99   2HH2  ARG  12           HH11     ARG  12   9.409  -5.326   8.701
  100    H    HIS  13           HN       HIS  13   5.512  -3.850   0.678
  101    HA   HIS  13           HA       HIS  13   8.115  -2.668   0.177
  102   1HB   HIS  13           HB2      HIS  13   7.159  -4.655  -1.091
  103   2HB   HIS  13           HB3      HIS  13   5.997  -3.552  -1.821
  104    HD1  HIS  13           HD1      HIS  13   6.802  -3.223  -4.164
  105    HD2  HIS  13           HD2      HIS  13   9.919  -2.953  -1.409
  106    HE1  HIS  13           HE1      HIS  13   8.853  -2.535  -5.474
  107    H    ALA  14           HN       ALA  14   4.718  -1.852  -0.816
  108    HA   ALA  14           HA       ALA  14   5.371   0.553  -2.130
  109   1HB   ALA  14           HB1      ALA  14   3.001  -0.600  -1.612
  110   2HB   ALA  14           HB2      ALA  14   2.967   0.665  -0.384
  111   3HB   ALA  14           HB3      ALA  14   3.153   1.096  -2.093
  112    H    LYS  15           HN       LYS  15   4.378   0.453   1.361
  113    HA   LYS  15           HA       LYS  15   5.111   3.156   1.799
  114   1HB   LYS  15           HB2      LYS  15   4.111   2.453   3.748
  115   2HB   LYS  15           HB3      LYS  15   4.595   0.787   3.498
  116   1HG   LYS  15           HG2      LYS  15   6.818   1.210   4.309
  117   2HG   LYS  15           HG3      LYS  15   6.511   2.945   4.388
  118   1HD   LYS  15           HD2      LYS  15   5.225   2.778   6.293
  119   2HD   LYS  15           HD3      LYS  15   4.674   1.146   5.909
  120   1HE   LYS  15           HE2      LYS  15   6.152   0.728   7.662
  121   2HE   LYS  15           HE3      LYS  15   7.196   0.507   6.258
  122   1HZ   LYS  15           HZ1      LYS  15   6.923   3.059   7.749
  123   2HZ   LYS  15           HZ2      LYS  15   8.169   1.931   8.001
  124   3HZ   LYS  15           HZ3      LYS  15   8.021   2.724   6.504
  125    H    SER  16           HN       SER  16   7.117   0.093   1.934
  126    HA   SER  16           HA       SER  16   9.535   1.558   2.712
  127   1HB   SER  16           HB2      SER  16   8.750  -0.840   3.306
  128   2HB   SER  16           HB3      SER  16   9.402  -1.225   1.716
  129    HG   SER  16           HG       SER  16  10.952  -1.392   3.465
  130    H    LEU  17           HN       LEU  17   8.148   1.562  -0.304
  131    HA   LEU  17           HA       LEU  17  10.787   1.020  -1.607
  132   1HB   LEU  17           HB2      LEU  17   9.693   0.213  -3.525
  133   2HB   LEU  17           HB3      LEU  17   8.704  -0.411  -2.209
  134    HG   LEU  17           HG       LEU  17   7.335   1.772  -2.550
  135   1HD1  LEU  17           HD11     LEU  17   9.407   2.090  -4.410
  136   2HD1  LEU  17           HD12     LEU  17   8.010   1.631  -5.394
  137   3HD1  LEU  17           HD13     LEU  17   7.931   3.053  -4.346
  138   1HD2  LEU  17           HD21     LEU  17   6.964  -0.743  -3.040
  139   2HD2  LEU  17           HD22     LEU  17   5.923   0.395  -3.896
  140   3HD2  LEU  17           HD23     LEU  17   7.302  -0.340  -4.721
  141    H    GLY  18           HN       GLY  18   8.062   3.260  -1.579
  142   1HA   GLY  18           HA1      GLY  18   9.139   5.660  -1.703
  143   2HA   GLY  18           HA2      GLY  18   9.619   5.103  -3.310
  144    H    ASN  19           HN       ASN  19   6.713   3.539  -2.845
  145    HA   ASN  19           HA       ASN  19   5.447   5.573  -4.451
  146   1HB   ASN  19           HB2      ASN  19   4.723   2.751  -3.694
  147   2HB   ASN  19           HB3      ASN  19   3.619   3.724  -4.502
  148   1HD2  ASN  19           HD22     ASN  19   5.956   1.751  -6.795
  149   2HD2  ASN  19           HD21     ASN  19   5.208   1.320  -5.335
  150    H    CYS  20           HN       CYS  20   3.613   3.701  -1.940
  151    HA   CYS  20           HA       CYS  20   1.990   4.548  -0.496
  152   1HB   CYS  20           HB2      CYS  20   3.697   4.574   1.008
  153   2HB   CYS  20           HB3      CYS  20   4.694   5.590  -0.022
  154    H    ARG  21           HN       ARG  21   2.174   5.903  -3.146
  155    HA   ARG  21           HA       ARG  21   0.136   7.706  -3.196
  156   1HB   ARG  21           HB2      ARG  21   2.455   8.899  -1.891
  157   2HB   ARG  21           HB3      ARG  21   1.760   9.892  -3.177
  158   1HG   ARG  21           HG2      ARG  21  -0.460   8.924  -1.797
  159   2HG   ARG  21           HG3      ARG  21   0.698   9.288  -0.520
  160   1HD   ARG  21           HD2      ARG  21   1.070  11.517  -1.850
  161   2HD   ARG  21           HD3      ARG  21  -0.512  11.157  -2.540
  162    HE   ARG  21           HE       ARG  21  -1.113  10.919   0.057
  163   1HH1  ARG  21           HH22     ARG  21   1.647  12.393   0.341
  164   2HH1  ARG  21           HH21     ARG  21   1.081  14.001   0.653
  165   1HH2  ARG  21           HH12     ARG  21  -2.168  13.337  -0.356
  166   2HH2  ARG  21           HH11     ARG  21  -1.078  14.534   0.258
  167    H    THR  22           HN       THR  22   3.341   6.958  -4.462
  168    HA   THR  22           HA       THR  22   2.903   8.668  -6.827
  169    HB   THR  22           HB       THR  22   5.167   8.375  -7.292
  170    HG1  THR  22           HG1      THR  22   6.275   6.496  -6.346
  171   1HG2  THR  22           HG23     THR  22   4.853   9.404  -5.044
  172   2HG2  THR  22           HG21     THR  22   5.062   7.810  -4.322
  173   3HG2  THR  22           HG22     THR  22   6.392   8.558  -5.206
  174    H    SER  23           HN       SER  23   2.332   5.420  -5.781
  175    HA   SER  23           HA       SER  23   2.030   4.625  -8.656
  176   1HB   SER  23           HB2      SER  23   3.083   3.296  -6.187
  177   2HB   SER  23           HB3      SER  23   2.019   2.295  -7.160
  178    HG   SER  23           HG       SER  23   3.633   3.519  -8.839
  179    H    GLN  24           HN       GLN  24  -0.223   4.685  -9.119
  180    HA   GLN  24           HA       GLN  24  -2.054   5.242  -7.022
  181   1HB   GLN  24           HB2      GLN  24  -2.274   4.597  -9.886
  182   2HB   GLN  24           HB3      GLN  24  -3.681   4.125  -8.933
  183   1HG   GLN  24           HG2      GLN  24  -4.201   6.295  -8.358
  184   2HG   GLN  24           HG3      GLN  24  -2.523   6.835  -8.447
  185   1HE2  GLN  24           HE22     GLN  24  -4.433   6.377 -12.067
  186   2HE2  GLN  24           HE21     GLN  24  -4.697   5.227 -10.847
  187    H    LYS  25           HN       LYS  25  -1.155   2.043  -8.412
  188    HA   LYS  25           HA       LYS  25  -3.152   0.808  -6.688
  189   1HB   LYS  25           HB2      LYS  25  -2.219  -0.022  -9.005
  190   2HB   LYS  25           HB3      LYS  25  -1.049  -0.838  -7.925
  191   1HG   LYS  25           HG2      LYS  25  -2.809  -1.705  -6.526
  192   2HG   LYS  25           HG3      LYS  25  -4.015  -0.849  -7.467
  193   1HD   LYS  25           HD2      LYS  25  -2.756  -2.309  -9.431
  194   2HD   LYS  25           HD3      LYS  25  -2.695  -3.427  -8.070
  195   1HE   LYS  25           HE2      LYS  25  -5.260  -2.510  -7.875
  196   2HE   LYS  25           HE3      LYS  25  -5.020  -2.485  -9.622
  197   1HZ   LYS  25           HZ1      LYS  25  -3.963  -4.829  -9.083
  198   2HZ   LYS  25           HZ2      LYS  25  -5.050  -4.745  -7.779
  199   3HZ   LYS  25           HZ3      LYS  25  -5.620  -4.639  -9.377
  200    H    TYR  26           HN       TYR  26  -0.627   2.208  -5.767
  201    HA   TYR  26           HA       TYR  26   0.484   0.077  -3.992
  202   1HB   TYR  26           HB2      TYR  26   1.712   2.487  -5.203
  203   2HB   TYR  26           HB3      TYR  26   2.293   2.001  -3.593
  204    HD1  TYR  26           HD2      TYR  26   0.985   0.277  -6.589
  205    HD2  TYR  26           HD1      TYR  26   4.040   0.367  -3.578
  206    HE1  TYR  26           HE2      TYR  26   1.954  -1.771  -7.528
  207    HE2  TYR  26           HE1      TYR  26   5.027  -1.700  -4.519
  208    HH   TYR  26           HH       TYR  26   4.417  -2.839  -7.506
  209    H    ARG  27           HN       ARG  27  -0.123   3.567  -4.145
  210    HA   ARG  27           HA       ARG  27  -0.125   4.221  -1.413
  211   1HB   ARG  27           HB2      ARG  27  -0.694   6.350  -2.213
  212   2HB   ARG  27           HB3      ARG  27  -0.033   5.583  -3.662
  213   1HG   ARG  27           HG2      ARG  27  -2.180   5.047  -4.468
  214   2HG   ARG  27           HG3      ARG  27  -2.971   5.627  -2.971
  215   1HD   ARG  27           HD2      ARG  27  -1.223   7.539  -4.459
  216   2HD   ARG  27           HD3      ARG  27  -2.767   7.130  -5.198
  217    HE   ARG  27           HE       ARG  27  -3.251   7.750  -2.468
  218   1HH1  ARG  27           HH12     ARG  27  -4.269   8.949  -5.214
  219   2HH1  ARG  27           HH11     ARG  27  -3.953  10.624  -4.914
  220   1HH2  ARG  27           HH22     ARG  27  -1.941  10.012  -2.153
  221   2HH2  ARG  27           HH21     ARG  27  -2.628  11.231  -3.175
  222    H    ALA  28           HN       ALA  28  -2.854   3.464  -3.606
  223    HA   ALA  28           HA       ALA  28  -4.779   3.575  -1.346
  224   1HB   ALA  28           HB2      ALA  28  -5.151   4.418  -3.765
  225   2HB   ALA  28           HB3      ALA  28  -5.387   2.708  -4.145
  226   3HB   ALA  28           HB1      ALA  28  -6.450   3.506  -2.985
  227    H    ASN  29           HN       ASN  29  -2.686   1.319  -2.434
  228    HA   ASN  29           HA       ASN  29  -4.451  -1.062  -1.943
  229   1HB   ASN  29           HB2      ASN  29  -1.882  -0.886  -3.457
  230   2HB   ASN  29           HB3      ASN  29  -3.128  -2.130  -3.623
  231   1HD2  ASN  29           HD22     ASN  29  -5.110  -0.238  -5.845
  232   2HD2  ASN  29           HD21     ASN  29  -4.853  -1.722  -5.056
  233    H    CYS  30           HN       CYS  30  -1.893   0.778  -0.779
  234    HA   CYS  30           HA       CYS  30  -1.050  -1.301   1.162
  235   1HB   CYS  30           HB2      CYS  30   0.796   0.498  -0.497
  236   2HB   CYS  30           HB3      CYS  30   1.333  -0.698   0.670
  237    H    ALA  31           HN       ALA  31  -2.933   0.815   1.160
  238    HA   ALA  31           HA       ALA  31  -1.899   3.177   2.320
  239   1HB   ALA  31           HB2      ALA  31  -4.340   2.233   1.275
  240   2HB   ALA  31           HB3      ALA  31  -4.690   2.690   2.941
  241   3HB   ALA  31           HB1      ALA  31  -3.997   3.874   1.829
  242    H    LYS  32           HN       LYS  32  -2.123   0.099   3.520
  243    HA   LYS  32           HA       LYS  32  -2.892   0.651   6.302
  244   1HB   LYS  32           HB2      LYS  32  -2.793  -1.697   6.496
  245   2HB   LYS  32           HB3      LYS  32  -3.126  -1.509   4.771
  246   1HG   LYS  32           HG2      LYS  32  -0.761  -1.789   4.260
  247   2HG   LYS  32           HG3      LYS  32  -0.372  -1.882   5.979
  248   1HD   LYS  32           HD2      LYS  32  -2.305  -3.815   5.734
  249   2HD   LYS  32           HD3      LYS  32  -1.470  -3.941   4.184
  250   1HE   LYS  32           HE2      LYS  32   0.236  -5.045   5.200
  251   2HE   LYS  32           HE3      LYS  32   0.500  -3.614   6.204
  252   1HZ   LYS  32           HZ1      LYS  32  -1.770  -5.180   7.006
  253   2HZ   LYS  32           HZ2      LYS  32  -0.295  -6.017   7.116
  254   3HZ   LYS  32           HZ3      LYS  32  -0.507  -4.544   7.938
  255    H    THR  33           HN       THR  33  -0.230  -0.001   4.196
  256    HA   THR  33           HA       THR  33   1.952   0.053   6.128
  257    HB   THR  33           HB       THR  33   2.319   0.233   3.171
  258    HG1  THR  33           HG1      THR  33   1.755  -2.204   3.530
  259   1HG2  THR  33           HG22     THR  33   3.937  -0.447   5.257
  260   2HG2  THR  33           HG23     THR  33   3.308  -2.032   4.779
  261   3HG2  THR  33           HG21     THR  33   4.138  -1.024   3.596
  262    H    CYS  34           HN       CYS  34   0.376   2.418   4.045
  263    HA   CYS  34           HA       CYS  34   2.497   4.284   5.011
  264   1HB   CYS  34           HB2      CYS  34   1.914   3.955   2.365
  265   2HB   CYS  34           HB3      CYS  34   0.833   5.253   2.787
  266    H    GLU  35           HN       GLU  35  -0.622   3.421   5.563
  267    HA   GLU  35           HA       GLU  35  -2.335   4.422   6.711
  268   1HB   GLU  35           HB2      GLU  35  -0.192   6.498   7.197
  269   2HB   GLU  35           HB3      GLU  35  -1.765   6.472   8.045
  270   1HG   GLU  35           HG2      GLU  35  -1.313   4.593   9.189
  271   2HG   GLU  35           HG3      GLU  35  -0.559   3.848   7.777
  272    H    LEU  36           HN       LEU  36  -1.902   4.803   3.953
  273    HA   LEU  36           HA       LEU  36  -3.078   7.392   3.178
  274   1HB   LEU  36           HB2      LEU  36  -2.397   4.861   1.702
  275   2HB   LEU  36           HB3      LEU  36  -3.112   6.192   0.854
  276    HG   LEU  36           HG       LEU  36  -0.595   6.387   2.479
  277   1HD1  LEU  36           HD12     LEU  36  -0.941   5.064   0.034
  278   2HD1  LEU  36           HD13     LEU  36  -0.263   6.625  -0.414
  279   3HD1  LEU  36           HD11     LEU  36   0.600   5.581   0.716
  280   1HD2  LEU  36           HD22     LEU  36  -1.914   8.492   2.058
  281   2HD2  LEU  36           HD23     LEU  36  -0.296   8.536   1.358
  282   3HD2  LEU  36           HD21     LEU  36  -1.695   8.229   0.328
  283    H    CYS  37           HN       CYS  37  -4.081   4.300   4.367
  284    HA   CYS  37           HA       CYS  37  -6.524   4.002   2.904
  285   1HB   CYS  37           HB2      CYS  37  -6.682   2.148   4.179
  286   2HB   CYS  37           HB3      CYS  37  -5.188   2.642   4.975
   
  No H/Q in entry =         286
  Start of MODEL   12
    1   1H    VAL   1           HN2      VAL   1 -13.135   3.348  -1.396
    2   2H    VAL   1           HN       VAL   1 -14.094   2.268  -2.293
    3   3H    VAL   1           HN3      VAL   1 -14.119   2.212  -0.601
    4    HA   VAL   1           HA       VAL   1 -12.738   0.457  -1.058
    5    HB   VAL   1           HB       VAL   1 -12.565   0.530  -3.403
    6   1HG1  VAL   1           HG13     VAL   1 -12.841   3.066  -3.437
    7   2HG1  VAL   1           HG11     VAL   1 -11.092   3.168  -3.238
    8   3HG1  VAL   1           HG12     VAL   1 -11.772   2.398  -4.672
    9   1HG2  VAL   1           HG22     VAL   1 -10.340   0.072  -1.964
   10   2HG2  VAL   1           HG23     VAL   1 -10.338   0.011  -3.726
   11   3HG2  VAL   1           HG21     VAL   1  -9.774   1.459  -2.894
   12    H    CYS   2           HN       CYS   2 -11.679   0.654   0.873
   13    HA   CYS   2           HA       CYS   2  -9.309   2.456   0.893
   14   1HB   CYS   2           HB2      CYS   2 -11.423   3.256   2.206
   15   2HB   CYS   2           HB3      CYS   2 -10.957   2.026   3.379
   16    H    ARG   3           HN       ARG   3  -7.511   1.519   2.321
   17    HA   ARG   3           HA       ARG   3  -6.661  -0.072   3.867
   18   1HB   ARG   3           HB2      ARG   3  -7.529  -2.227   4.166
   19   2HB   ARG   3           HB3      ARG   3  -9.010  -1.289   3.899
   20   1HG   ARG   3           HG2      ARG   3  -8.361  -1.778   1.350
   21   2HG   ARG   3           HG3      ARG   3  -7.657  -3.223   2.073
   22   1HD   ARG   3           HD2      ARG   3 -10.509  -2.363   2.625
   23   2HD   ARG   3           HD3      ARG   3 -10.075  -3.412   1.274
   24    HE   ARG   3           HE       ARG   3  -8.905  -4.573   3.544
   25   1HH1  ARG   3           HH12     ARG   3 -11.236  -5.511   1.649
   26   2HH1  ARG   3           HH11     ARG   3 -12.408  -5.958   2.844
   27   1HH2  ARG   3           HH22     ARG   3 -10.762  -4.355   5.440
   28   2HH2  ARG   3           HH21     ARG   3 -12.140  -5.303   4.990
   29    H    ASP   4           HN       ASP   4  -5.993  -2.688   2.896
   30    HA   ASP   4           HA       ASP   4  -4.383  -1.816   0.584
   31   1HB   ASP   4           HB2      ASP   4  -3.078  -3.937   1.021
   32   2HB   ASP   4           HB3      ASP   4  -3.086  -2.810   2.378
   33    H    TRP   5           HN       TRP   5  -3.913  -4.098  -0.883
   34    HA   TRP   5           HA       TRP   5  -6.550  -5.376  -1.303
   35   1HB   TRP   5           HB2      TRP   5  -5.170  -3.582  -3.291
   36   2HB   TRP   5           HB3      TRP   5  -6.257  -4.808  -3.880
   37    HD1  TRP   5           HD1      TRP   5  -6.227  -1.427  -2.335
   38    HE1  TRP   5           HE1      TRP   5  -8.622  -0.658  -1.811
   39    HE3  TRP   5           HE3      TRP   5  -8.730  -5.824  -3.016
   40    HZ2  TRP   5           HZ2      TRP   5 -11.264  -1.758  -1.690
   41    HZ3  TRP   5           HZ3      TRP   5 -11.180  -5.933  -2.687
   42    HH2  TRP   5           HH2      TRP   5 -12.451  -3.915  -2.028
   43    H    PHE   6           HN       PHE   6  -3.011  -5.282  -2.207
   44    HA   PHE   6           HA       PHE   6  -3.243  -7.985  -3.299
   45   1HB   PHE   6           HB2      PHE   6  -0.712  -6.588  -2.428
   46   2HB   PHE   6           HB3      PHE   6  -0.917  -7.760  -3.731
   47    HD1  PHE   6           HD1      PHE   6  -3.573  -6.521  -4.671
   48    HD2  PHE   6           HD2      PHE   6   0.323  -4.869  -3.911
   49    HE1  PHE   6           HE1      PHE   6  -4.034  -4.741  -6.261
   50    HE2  PHE   6           HE2      PHE   6  -0.110  -3.086  -5.492
   51    HZ   PHE   6           HZ       PHE   6  -2.300  -2.995  -6.690
   52    H    LYS   7           HN       LYS   7  -0.529  -8.528  -1.768
   53    HA   LYS   7           HA       LYS   7  -1.829  -9.525   0.683
   54   1HB   LYS   7           HB2      LYS   7   0.226 -10.519  -0.843
   55   2HB   LYS   7           HB3      LYS   7   1.144  -9.635   0.377
   56   1HG   LYS   7           HG2      LYS   7   0.866 -11.397   1.746
   57   2HG   LYS   7           HG3      LYS   7  -0.848 -10.982   1.818
   58   1HD   LYS   7           HD2      LYS   7  -1.065 -12.303  -0.391
   59   2HD   LYS   7           HD3      LYS   7   0.517 -12.971   0.010
   60   1HE   LYS   7           HE2      LYS   7  -1.548 -12.982   2.160
   61   2HE   LYS   7           HE3      LYS   7  -1.745 -14.135   0.840
   62   1HZ   LYS   7           HZ3      LYS   7   0.943 -13.937   1.882
   63   2HZ   LYS   7           HZ1      LYS   7  -0.188 -14.534   2.992
   64   3HZ   LYS   7           HZ2      LYS   7   0.021 -15.313   1.494
   65    H    GLU   8           HN       GLU   8  -1.185  -8.650   2.798
   66    HA   GLU   8           HA       GLU   8  -0.805  -5.832   2.935
   67   1HB   GLU   8           HB2      GLU   8  -0.409  -8.119   4.851
   68   2HB   GLU   8           HB3      GLU   8   0.012  -6.482   5.341
   69   1HG   GLU   8           HG2      GLU   8  -2.266  -5.720   4.858
   70   2HG   GLU   8           HG3      GLU   8  -2.698  -7.327   4.274
   71    H    THR   9           HN       THR   9   1.504  -8.303   2.255
   72    HA   THR   9           HA       THR   9   3.768  -6.651   3.105
   73    HB   THR   9           HB       THR   9   5.046  -8.654   2.383
   74    HG1  THR   9           HG1      THR   9   3.120 -10.332   1.870
   75   1HG2  THR   9           HG21     THR   9   2.898  -8.412   4.282
   76   2HG2  THR   9           HG22     THR   9   3.089 -10.102   3.801
   77   3HG2  THR   9           HG23     THR   9   4.459  -9.213   4.477
   78    H    ALA  10           HN       ALA  10   2.074  -7.526   0.148
   79    HA   ALA  10           HA       ALA  10   3.864  -6.575  -1.854
   80   1HB   ALA  10           HB3      ALA  10   0.862  -6.090  -1.596
   81   2HB   ALA  10           HB1      ALA  10   1.767  -5.713  -3.056
   82   3HB   ALA  10           HB2      ALA  10   1.589  -7.390  -2.533
   83    H    CYS  11           HN       CYS  11   1.970  -4.981   0.604
   84    HA   CYS  11           HA       CYS  11   2.720  -2.354  -0.412
   85   1HB   CYS  11           HB2      CYS  11   0.810  -3.421   1.680
   86   2HB   CYS  11           HB3      CYS  11   1.038  -1.666   1.384
   87    H    ARG  12           HN       ARG  12   3.739  -4.492   2.267
   88    HA   ARG  12           HA       ARG  12   5.054  -2.415   3.740
   89   1HB   ARG  12           HB2      ARG  12   5.374  -4.485   4.839
   90   2HB   ARG  12           HB3      ARG  12   5.674  -5.350   3.317
   91   1HG   ARG  12           HG2      ARG  12   7.831  -4.570   3.107
   92   2HG   ARG  12           HG3      ARG  12   7.534  -3.143   4.099
   93   1HD   ARG  12           HD2      ARG  12   7.070  -5.444   5.730
   94   2HD   ARG  12           HD3      ARG  12   8.625  -5.659   4.926
   95    HE   ARG  12           HE       ARG  12   9.475  -3.869   6.214
   96   1HH1  ARG  12           HH12     ARG  12   8.308  -1.491   6.036
   97   2HH1  ARG  12           HH11     ARG  12   7.153  -1.329   7.317
   98   1HH2  ARG  12           HH21     ARG  12   6.414  -3.164   8.411
   99   2HH2  ARG  12           HH22     ARG  12   7.000  -4.731   7.968
  100    H    HIS  13           HN       HIS  13   5.646  -4.043   0.715
  101    HA   HIS  13           HA       HIS  13   8.328  -3.168   0.228
  102   1HB   HIS  13           HB2      HIS  13   7.334  -5.006  -1.031
  103   2HB   HIS  13           HB3      HIS  13   6.002  -3.996  -1.566
  104    HD1  HIS  13           HD1      HIS  13   6.302  -3.095  -3.865
  105    HD2  HIS  13           HD2      HIS  13   9.975  -3.797  -2.021
  106    HE1  HIS  13           HE1      HIS  13   8.080  -2.524  -5.572
  107    H    ALA  14           HN       ALA  14   5.177  -2.020  -1.042
  108    HA   ALA  14           HA       ALA  14   6.140   0.377  -2.203
  109   1HB   ALA  14           HB1      ALA  14   3.827  -0.626  -2.460
  110   2HB   ALA  14           HB2      ALA  14   3.424   0.074  -0.889
  111   3HB   ALA  14           HB3      ALA  14   3.860   1.124  -2.243
  112    H    LYS  15           HN       LYS  15   4.424   0.466   1.066
  113    HA   LYS  15           HA       LYS  15   5.130   3.022   1.731
  114   1HB   LYS  15           HB2      LYS  15   3.797   1.452   3.154
  115   2HB   LYS  15           HB3      LYS  15   5.323   0.660   3.629
  116   1HG   LYS  15           HG2      LYS  15   5.886   3.315   3.861
  117   2HG   LYS  15           HG3      LYS  15   4.219   3.220   4.434
  118   1HD   LYS  15           HD2      LYS  15   5.261   1.063   5.704
  119   2HD   LYS  15           HD3      LYS  15   6.700   2.082   5.633
  120   1HE   LYS  15           HE2      LYS  15   5.910   3.457   7.231
  121   2HE   LYS  15           HE3      LYS  15   4.354   3.614   6.415
  122   1HZ   LYS  15           HZ2      LYS  15   3.796   1.381   7.318
  123   2HZ   LYS  15           HZ3      LYS  15   5.210   1.455   8.260
  124   3HZ   LYS  15           HZ1      LYS  15   3.973   2.586   8.504
  125    H    SER  16           HN       SER  16   7.325   0.073   1.970
  126    HA   SER  16           HA       SER  16   9.486   1.800   3.000
  127   1HB   SER  16           HB2      SER  16   8.790  -0.823   3.331
  128   2HB   SER  16           HB3      SER  16  10.119  -0.861   2.176
  129    HG   SER  16           HG       SER  16  11.228  -0.737   4.037
  130    H    LEU  17           HN       LEU  17   8.705   2.247   0.240
  131    HA   LEU  17           HA       LEU  17  11.371   1.884  -0.951
  132   1HB   LEU  17           HB2      LEU  17  10.831   0.400  -2.608
  133   2HB   LEU  17           HB3      LEU  17   9.568  -0.036  -1.470
  134    HG   LEU  17           HG       LEU  17   8.083   1.620  -2.630
  135   1HD1  LEU  17           HD12     LEU  17  10.516   2.170  -4.058
  136   2HD1  LEU  17           HD13     LEU  17   9.350   1.478  -5.191
  137   3HD1  LEU  17           HD11     LEU  17   8.933   2.923  -4.268
  138   1HD2  LEU  17           HD21     LEU  17   9.213  -0.931  -3.644
  139   2HD2  LEU  17           HD22     LEU  17   7.603  -0.577  -3.025
  140   3HD2  LEU  17           HD23     LEU  17   8.027  -0.118  -4.672
  141    H    GLY  18           HN       GLY  18   8.113   3.159  -1.574
  142   1HA   GLY  18           HA1      GLY  18   8.634   5.807  -1.811
  143   2HA   GLY  18           HA2      GLY  18   9.257   5.211  -3.350
  144    H    ASN  19           HN       ASN  19   7.129   3.052  -3.447
  145    HA   ASN  19           HA       ASN  19   5.202   4.517  -4.951
  146   1HB   ASN  19           HB2      ASN  19   4.045   2.119  -3.872
  147   2HB   ASN  19           HB3      ASN  19   4.363   2.593  -5.482
  148   1HD2  ASN  19           HD22     ASN  19   6.232  -0.542  -4.363
  149   2HD2  ASN  19           HD21     ASN  19   4.693   0.013  -3.995
  150    H    CYS  20           HN       CYS  20   5.502   4.022  -1.580
  151    HA   CYS  20           HA       CYS  20   3.212   3.700  -0.277
  152   1HB   CYS  20           HB2      CYS  20   4.560   4.719   1.231
  153   2HB   CYS  20           HB3      CYS  20   5.218   5.858   0.037
  154    H    ARG  21           HN       ARG  21   3.799   6.765  -1.953
  155    HA   ARG  21           HA       ARG  21   0.822   7.093  -2.322
  156   1HB   ARG  21           HB2      ARG  21   2.227   8.527  -0.558
  157   2HB   ARG  21           HB3      ARG  21   2.558   9.428  -2.047
  158   1HG   ARG  21           HG2      ARG  21   0.335  10.025  -2.374
  159   2HG   ARG  21           HG3      ARG  21  -0.274   8.638  -1.464
  160   1HD   ARG  21           HD2      ARG  21  -0.640  10.690  -0.177
  161   2HD   ARG  21           HD3      ARG  21   0.555   9.679   0.637
  162    HE   ARG  21           HE       ARG  21   1.888  11.511  -1.122
  163   1HH1  ARG  21           HH22     ARG  21   1.928  10.744   2.002
  164   2HH1  ARG  21           HH21     ARG  21   1.924  12.350   2.649
  165   1HH2  ARG  21           HH12     ARG  21   1.107  13.848  -0.371
  166   2HH2  ARG  21           HH11     ARG  21   1.460  14.109   1.306
  167    H    THR  22           HN       THR  22   3.496   6.498  -3.975
  168    HA   THR  22           HA       THR  22   3.089   8.612  -6.040
  169    HB   THR  22           HB       THR  22   5.311   8.199  -6.798
  170    HG1  THR  22           HG1      THR  22   5.832   6.172  -6.798
  171   1HG2  THR  22           HG22     THR  22   5.030   8.182  -3.805
  172   2HG2  THR  22           HG23     THR  22   6.623   8.192  -4.561
  173   3HG2  THR  22           HG21     THR  22   5.493   9.512  -4.867
  174    H    SER  23           HN       SER  23   2.095   5.453  -5.392
  175    HA   SER  23           HA       SER  23   2.009   4.929  -8.335
  176   1HB   SER  23           HB2      SER  23   2.396   3.121  -5.899
  177   2HB   SER  23           HB3      SER  23   1.931   2.458  -7.476
  178    HG   SER  23           HG       SER  23   3.901   2.829  -8.148
  179    H    GLN  24           HN       GLN  24  -0.185   4.270  -9.059
  180    HA   GLN  24           HA       GLN  24  -2.185   5.536  -7.402
  181   1HB   GLN  24           HB2      GLN  24  -2.166   4.197 -10.047
  182   2HB   GLN  24           HB3      GLN  24  -3.707   4.171  -9.188
  183   1HG   GLN  24           HG2      GLN  24  -3.763   6.556  -9.019
  184   2HG   GLN  24           HG3      GLN  24  -2.088   6.699  -9.560
  185   1HE2  GLN  24           HE22     GLN  24  -2.883   6.165 -13.017
  186   2HE2  GLN  24           HE21     GLN  24  -1.645   6.000 -11.867
  187    H    LYS  25           HN       LYS  25  -2.396   2.124  -8.567
  188    HA   LYS  25           HA       LYS  25  -4.196   1.285  -6.582
  189   1HB   LYS  25           HB2      LYS  25  -2.862  -0.010  -8.578
  190   2HB   LYS  25           HB3      LYS  25  -1.941  -0.576  -7.184
  191   1HG   LYS  25           HG2      LYS  25  -3.703  -1.808  -6.352
  192   2HG   LYS  25           HG3      LYS  25  -4.887  -0.615  -6.907
  193   1HD   LYS  25           HD2      LYS  25  -3.643  -1.736  -9.207
  194   2HD   LYS  25           HD3      LYS  25  -4.138  -3.066  -8.160
  195   1HE   LYS  25           HE2      LYS  25  -6.407  -2.347  -8.136
  196   2HE   LYS  25           HE3      LYS  25  -5.995  -0.776  -8.821
  197   1HZ   LYS  25           HZ2      LYS  25  -5.063  -2.298 -10.730
  198   2HZ   LYS  25           HZ3      LYS  25  -6.240  -3.373 -10.138
  199   3HZ   LYS  25           HZ1      LYS  25  -6.700  -1.838 -10.684
  200    H    TYR  26           HN       TYR  26  -0.714   0.727  -6.567
  201    HA   TYR  26           HA       TYR  26  -0.113  -0.062  -4.038
  202   1HB   TYR  26           HB2      TYR  26   1.090   1.574  -6.088
  203   2HB   TYR  26           HB3      TYR  26   1.812   1.815  -4.497
  204    HD1  TYR  26           HD2      TYR  26   0.544  -1.615  -4.556
  205    HD2  TYR  26           HD1      TYR  26   3.655   0.975  -6.089
  206    HE1  TYR  26           HE2      TYR  26   1.925  -3.488  -4.919
  207    HE2  TYR  26           HE1      TYR  26   5.080  -0.968  -6.463
  208    HH   TYR  26           HH       TYR  26   4.639  -3.548  -6.862
  209    H    ARG  27           HN       ARG  27  -0.686   3.542  -4.663
  210    HA   ARG  27           HA       ARG  27  -0.146   3.995  -1.891
  211   1HB   ARG  27           HB2      ARG  27  -0.871   6.253  -2.340
  212   2HB   ARG  27           HB3      ARG  27  -0.413   5.673  -3.943
  213   1HG   ARG  27           HG2      ARG  27  -2.584   5.282  -4.581
  214   2HG   ARG  27           HG3      ARG  27  -3.223   5.388  -2.913
  215   1HD   ARG  27           HD2      ARG  27  -1.796   7.758  -4.063
  216   2HD   ARG  27           HD3      ARG  27  -3.441   7.444  -4.617
  217    HE   ARG  27           HE       ARG  27  -3.379   7.305  -1.761
  218   1HH1  ARG  27           HH22     ARG  27  -1.787   9.772  -3.092
  219   2HH1  ARG  27           HH21     ARG  27  -2.957  11.011  -2.782
  220   1HH2  ARG  27           HH12     ARG  27  -5.472   8.787  -1.913
  221   2HH2  ARG  27           HH11     ARG  27  -5.044  10.454  -2.114
  222    H    ALA  28           HN       ALA  28  -3.039   3.375  -3.763
  223    HA   ALA  28           HA       ALA  28  -4.945   3.254  -1.653
  224   1HB   ALA  28           HB3      ALA  28  -5.560   3.252  -4.051
  225   2HB   ALA  28           HB1      ALA  28  -4.870   1.638  -4.223
  226   3HB   ALA  28           HB2      ALA  28  -6.289   1.887  -3.205
  227    H    ASN  29           HN       ASN  29  -4.046   0.218  -3.326
  228    HA   ASN  29           HA       ASN  29  -4.586  -1.498  -1.244
  229   1HB   ASN  29           HB2      ASN  29  -3.412  -3.187  -2.460
  230   2HB   ASN  29           HB3      ASN  29  -4.127  -2.086  -3.620
  231   1HD2  ASN  29           HD22     ASN  29  -1.172  -1.187  -5.099
  232   2HD2  ASN  29           HD21     ASN  29  -2.852  -0.987  -4.932
  233    H    CYS  30           HN       CYS  30  -1.924   0.623  -1.296
  234    HA   CYS  30           HA       CYS  30  -0.693  -0.919   0.947
  235   1HB   CYS  30           HB2      CYS  30   0.844   1.111  -0.756
  236   2HB   CYS  30           HB3      CYS  30   1.493  -0.029   0.418
  237    H    ALA  31           HN       ALA  31  -2.843   0.632   1.145
  238    HA   ALA  31           HA       ALA  31  -2.020   3.278   2.045
  239   1HB   ALA  31           HB2      ALA  31  -4.636   1.882   1.584
  240   2HB   ALA  31           HB3      ALA  31  -4.629   3.268   2.672
  241   3HB   ALA  31           HB1      ALA  31  -4.105   3.456   0.999
  242    H    LYS  32           HN       LYS  32  -2.212   0.159   3.290
  243    HA   LYS  32           HA       LYS  32  -2.981   0.785   6.053
  244   1HB   LYS  32           HB2      LYS  32  -2.732  -1.592   6.333
  245   2HB   LYS  32           HB3      LYS  32  -3.352  -1.373   4.692
  246   1HG   LYS  32           HG2      LYS  32  -1.128  -1.663   3.776
  247   2HG   LYS  32           HG3      LYS  32  -0.430  -1.746   5.389
  248   1HD   LYS  32           HD2      LYS  32  -2.549  -3.656   5.235
  249   2HD   LYS  32           HD3      LYS  32  -1.529  -3.863   3.822
  250   1HE   LYS  32           HE2      LYS  32  -1.051  -5.057   6.173
  251   2HE   LYS  32           HE3      LYS  32   0.247  -4.644   5.067
  252   1HZ   LYS  32           HZ3      LYS  32  -0.689  -2.761   7.153
  253   2HZ   LYS  32           HZ1      LYS  32   0.439  -3.973   7.511
  254   3HZ   LYS  32           HZ2      LYS  32   0.806  -2.793   6.342
  255    H    THR  33           HN       THR  33  -0.319   0.025   3.989
  256    HA   THR  33           HA       THR  33   1.856   0.035   5.899
  257    HB   THR  33           HB       THR  33   2.235   0.454   2.969
  258    HG1  THR  33           HG1      THR  33   1.784  -2.127   3.676
  259   1HG2  THR  33           HG21     THR  33   3.966  -0.039   4.915
  260   2HG2  THR  33           HG22     THR  33   3.443  -1.702   4.641
  261   3HG2  THR  33           HG23     THR  33   4.152  -0.770   3.321
  262    H    CYS  34           HN       CYS  34   0.473   2.470   3.743
  263    HA   CYS  34           HA       CYS  34   2.520   4.367   4.803
  264   1HB   CYS  34           HB2      CYS  34   1.855   3.998   2.200
  265   2HB   CYS  34           HB3      CYS  34   0.691   5.217   2.648
  266    H    GLU  35           HN       GLU  35  -0.670   3.412   5.238
  267    HA   GLU  35           HA       GLU  35  -2.401   4.301   6.430
  268   1HB   GLU  35           HB2      GLU  35  -0.268   6.304   7.184
  269   2HB   GLU  35           HB3      GLU  35  -1.886   6.258   7.935
  270   1HG   GLU  35           HG2      GLU  35  -1.679   3.981   8.538
  271   2HG   GLU  35           HG3      GLU  35  -0.192   3.800   7.615
  272    H    LEU  36           HN       LEU  36  -2.256   4.726   3.820
  273    HA   LEU  36           HA       LEU  36  -3.167   7.432   3.100
  274   1HB   LEU  36           HB2      LEU  36  -2.985   4.821   1.615
  275   2HB   LEU  36           HB3      LEU  36  -3.588   6.234   0.820
  276    HG   LEU  36           HG       LEU  36  -0.896   6.029   2.133
  277   1HD1  LEU  36           HD11     LEU  36  -1.811   5.341  -0.609
  278   2HD1  LEU  36           HD12     LEU  36  -0.369   6.342  -0.537
  279   3HD1  LEU  36           HD13     LEU  36  -0.388   4.779   0.268
  280   1HD2  LEU  36           HD22     LEU  36  -2.440   8.237   1.071
  281   2HD2  LEU  36           HD23     LEU  36  -0.912   8.274   1.954
  282   3HD2  LEU  36           HD21     LEU  36  -0.914   8.072   0.203
  283    H    CYS  37           HN       CYS  37  -4.396   4.430   4.371
  284    HA   CYS  37           HA       CYS  37  -7.108   4.927   3.330
  285   1HB   CYS  37           HB2      CYS  37  -6.264   2.608   3.526
  286   2HB   CYS  37           HB3      CYS  37  -6.069   2.832   5.265
   
  No H/Q in entry =         286
  Start of MODEL   13
    1   1H    VAL   1           HN       VAL   1 -14.687   0.859   1.136
    2   2H    VAL   1           HN3      VAL   1 -15.204  -0.692   1.578
    3   3H    VAL   1           HN2      VAL   1 -15.905   0.675   2.308
    4    HA   VAL   1           HA       VAL   1 -14.107   1.094   3.639
    5    HB   VAL   1           HB       VAL   1 -14.222  -1.895   3.161
    6   1HG1  VAL   1           HG13     VAL   1 -12.628  -0.243   5.095
    7   2HG1  VAL   1           HG11     VAL   1 -13.250  -1.810   5.610
    8   3HG1  VAL   1           HG12     VAL   1 -12.158  -1.706   4.228
    9   1HG2  VAL   1           HG22     VAL   1 -15.543   0.066   5.034
   10   2HG2  VAL   1           HG23     VAL   1 -16.292  -1.187   4.044
   11   3HG2  VAL   1           HG21     VAL   1 -15.382  -1.630   5.489
   12    H    CYS   2           HN       CYS   2 -12.010   1.750   3.528
   13    HA   CYS   2           HA       CYS   2 -10.405   0.867   1.212
   14   1HB   CYS   2           HB2      CYS   2 -10.706   3.310   2.020
   15   2HB   CYS   2           HB3      CYS   2  -9.564   2.887   3.291
   16    H    ARG   3           HN       ARG   3  -7.921   0.544   1.787
   17    HA   ARG   3           HA       ARG   3  -6.775  -0.197   4.128
   18   1HB   ARG   3           HB2      ARG   3  -7.241  -2.756   4.125
   19   2HB   ARG   3           HB3      ARG   3  -8.489  -1.718   4.816
   20   1HG   ARG   3           HG2      ARG   3  -9.979  -2.243   3.204
   21   2HG   ARG   3           HG3      ARG   3  -8.779  -2.070   1.923
   22   1HD   ARG   3           HD2      ARG   3  -9.816  -4.441   2.455
   23   2HD   ARG   3           HD3      ARG   3  -8.106  -4.289   2.058
   24    HE   ARG   3           HE       ARG   3  -7.592  -4.896   4.282
   25   1HH1  ARG   3           HH22     ARG   3  -8.713  -3.182   6.119
   26   2HH1  ARG   3           HH21     ARG   3 -10.110  -3.975   6.767
   27   1HH2  ARG   3           HH12     ARG   3 -10.338  -6.267   4.174
   28   2HH2  ARG   3           HH11     ARG   3 -11.029  -5.722   5.665
   29    H    ASP   4           HN       ASP   4  -5.471  -2.611   3.526
   30    HA   ASP   4           HA       ASP   4  -3.982  -1.792   1.150
   31   1HB   ASP   4           HB2      ASP   4  -2.502  -3.643   1.674
   32   2HB   ASP   4           HB3      ASP   4  -2.949  -2.908   3.218
   33    H    TRP   5           HN       TRP   5  -3.471  -4.153  -0.324
   34    HA   TRP   5           HA       TRP   5  -6.093  -5.440  -0.685
   35   1HB   TRP   5           HB2      TRP   5  -5.088  -3.320  -2.498
   36   2HB   TRP   5           HB3      TRP   5  -5.745  -4.760  -3.289
   37    HD1  TRP   5           HD1      TRP   5  -6.867  -1.590  -1.937
   38    HE1  TRP   5           HE1      TRP   5  -9.388  -1.619  -1.411
   39    HE3  TRP   5           HE3      TRP   5  -7.732  -6.602  -2.148
   40    HZ2  TRP   5           HZ2      TRP   5 -11.506  -3.536  -1.115
   41    HZ3  TRP   5           HZ3      TRP   5 -10.001  -7.510  -1.742
   42    HH2  TRP   5           HH2      TRP   5 -11.886  -5.989  -1.227
   43    H    PHE   6           HN       PHE   6  -2.609  -5.196  -1.743
   44    HA   PHE   6           HA       PHE   6  -2.888  -7.763  -3.111
   45   1HB   PHE   6           HB2      PHE   6  -0.346  -6.400  -2.123
   46   2HB   PHE   6           HB3      PHE   6  -0.500  -7.550  -3.455
   47    HD1  PHE   6           HD1      PHE   6  -3.165  -6.235  -4.443
   48    HD2  PHE   6           HD2      PHE   6   0.751  -4.759  -3.471
   49    HE1  PHE   6           HE1      PHE   6  -3.498  -4.382  -5.968
   50    HE2  PHE   6           HE2      PHE   6   0.455  -2.907  -4.976
   51    HZ   PHE   6           HZ       PHE   6  -1.689  -2.675  -6.268
   52    H    LYS   7           HN       LYS   7  -0.197  -8.582  -1.723
   53    HA   LYS   7           HA       LYS   7  -1.431  -9.775   0.651
   54   1HB   LYS   7           HB2      LYS   7   1.146  -9.958  -0.783
   55   2HB   LYS   7           HB3      LYS   7   1.373  -9.904   0.966
   56   1HG   LYS   7           HG2      LYS   7  -0.545 -11.797  -0.413
   57   2HG   LYS   7           HG3      LYS   7   1.102 -12.233   0.043
   58   1HD   LYS   7           HD2      LYS   7  -0.204 -10.987   2.283
   59   2HD   LYS   7           HD3      LYS   7  -1.205 -12.310   1.681
   60   1HE   LYS   7           HE2      LYS   7   0.916 -13.730   1.660
   61   2HE   LYS   7           HE3      LYS   7   1.673 -12.438   2.592
   62   1HZ   LYS   7           HZ1      LYS   7  -0.872 -13.133   3.657
   63   2HZ   LYS   7           HZ2      LYS   7   0.146 -14.493   3.576
   64   3HZ   LYS   7           HZ3      LYS   7   0.638 -13.104   4.423
   65    H    GLU   8           HN       GLU   8  -1.016  -8.897   2.857
   66    HA   GLU   8           HA       GLU   8  -0.815  -6.059   3.029
   67   1HB   GLU   8           HB2      GLU   8  -0.628  -8.346   4.916
   68   2HB   GLU   8           HB3      GLU   8   0.101  -6.841   5.471
   69   1HG   GLU   8           HG2      GLU   8  -1.941  -6.028   5.958
   70   2HG   GLU   8           HG3      GLU   8  -2.424  -6.220   4.271
   71    H    THR   9           HN       THR   9   1.684  -8.371   2.470
   72    HA   THR   9           HA       THR   9   3.705  -6.436   3.364
   73    HB   THR   9           HB       THR   9   5.256  -8.357   2.787
   74    HG1  THR   9           HG1      THR   9   3.573 -10.298   2.687
   75   1HG2  THR   9           HG21     THR   9   3.161  -8.017   4.756
   76   2HG2  THR   9           HG22     THR   9   3.591  -9.722   4.578
   77   3HG2  THR   9           HG23     THR   9   4.833  -8.534   4.990
   78    H    ALA  10           HN       ALA  10   2.283  -7.594   0.388
   79    HA   ALA  10           HA       ALA  10   4.126  -6.720  -1.597
   80   1HB   ALA  10           HB1      ALA  10   1.420  -7.404  -1.720
   81   2HB   ALA  10           HB2      ALA  10   1.360  -5.660  -1.951
   82   3HB   ALA  10           HB3      ALA  10   2.294  -6.656  -3.059
   83    H    CYS  11           HN       CYS  11   1.791  -5.125   0.380
   84    HA   CYS  11           HA       CYS  11   2.117  -2.437  -0.434
   85   1HB   CYS  11           HB2      CYS  11   1.249  -3.744   2.191
   86   2HB   CYS  11           HB3      CYS  11   0.924  -2.055   1.718
   87    H    ARG  12           HN       ARG  12   3.449  -3.931   2.581
   88    HA   ARG  12           HA       ARG  12   5.186  -1.940   3.337
   89   1HB   ARG  12           HB2      ARG  12   4.875  -4.261   4.392
   90   2HB   ARG  12           HB3      ARG  12   6.173  -4.783   3.297
   91   1HG   ARG  12           HG2      ARG  12   7.135  -2.397   4.204
   92   2HG   ARG  12           HG3      ARG  12   6.326  -3.028   5.644
   93   1HD   ARG  12           HD2      ARG  12   7.605  -5.272   4.757
   94   2HD   ARG  12           HD3      ARG  12   8.747  -4.025   4.257
   95    HE   ARG  12           HE       ARG  12   7.796  -3.875   7.050
   96   1HH1  ARG  12           HH22     ARG  12  10.202  -2.447   6.612
   97   2HH1  ARG  12           HH21     ARG  12  11.472  -3.571   6.960
   98   1HH2  ARG  12           HH12     ARG  12   9.430  -6.362   6.708
   99   2HH2  ARG  12           HH11     ARG  12  11.035  -5.788   7.015
  100    H    HIS  13           HN       HIS  13   5.661  -4.037   0.519
  101    HA   HIS  13           HA       HIS  13   8.437  -3.378   0.160
  102   1HB   HIS  13           HB2      HIS  13   7.746  -5.132  -1.245
  103   2HB   HIS  13           HB3      HIS  13   6.203  -4.364  -1.601
  104    HD1  HIS  13           HD1      HIS  13   6.063  -3.044  -3.734
  105    HD2  HIS  13           HD2      HIS  13  10.011  -3.816  -2.640
  106    HE1  HIS  13           HE1      HIS  13   7.505  -2.232  -5.647
  107    H    ALA  14           HN       ALA  14   5.459  -2.095  -1.212
  108    HA   ALA  14           HA       ALA  14   6.538   0.219  -2.552
  109   1HB   ALA  14           HB2      ALA  14   4.285  -1.009  -2.756
  110   2HB   ALA  14           HB3      ALA  14   3.781  -0.033  -1.380
  111   3HB   ALA  14           HB1      ALA  14   4.270   0.751  -2.884
  112    H    LYS  15           HN       LYS  15   4.532   0.250   0.400
  113    HA   LYS  15           HA       LYS  15   5.016   2.941   1.110
  114   1HB   LYS  15           HB2      LYS  15   4.363   0.623   2.996
  115   2HB   LYS  15           HB3      LYS  15   3.955   2.329   3.176
  116   1HG   LYS  15           HG2      LYS  15   2.845   0.391   1.187
  117   2HG   LYS  15           HG3      LYS  15   2.019   1.527   2.235
  118   1HD   LYS  15           HD2      LYS  15   2.690   3.399   0.866
  119   2HD   LYS  15           HD3      LYS  15   3.722   2.442  -0.146
  120   1HE   LYS  15           HE2      LYS  15   1.231   1.114  -0.103
  121   2HE   LYS  15           HE3      LYS  15   0.907   2.826  -0.391
  122   1HZ   LYS  15           HZ1      LYS  15   3.197   1.846  -1.820
  123   2HZ   LYS  15           HZ2      LYS  15   1.771   1.056  -2.267
  124   3HZ   LYS  15           HZ3      LYS  15   1.891   2.754  -2.382
  125    H    SER  16           HN       SER  16   7.221   0.121   1.440
  126    HA   SER  16           HA       SER  16   8.905   1.689   3.307
  127   1HB   SER  16           HB2      SER  16   8.356  -0.856   3.478
  128   2HB   SER  16           HB3      SER  16   9.526  -1.007   2.172
  129    HG   SER  16           HG       SER  16  10.731   0.530   3.805
  130    H    LEU  17           HN       LEU  17   8.656   0.937  -0.072
  131    HA   LEU  17           HA       LEU  17  11.517   1.398  -0.569
  132   1HB   LEU  17           HB2      LEU  17  11.126   0.559  -2.721
  133   2HB   LEU  17           HB3      LEU  17  10.047  -0.346  -1.680
  134    HG   LEU  17           HG       LEU  17   8.231   1.245  -2.333
  135   1HD1  LEU  17           HD13     LEU  17  10.473   2.511  -3.614
  136   2HD1  LEU  17           HD11     LEU  17   9.365   1.963  -4.877
  137   3HD1  LEU  17           HD12     LEU  17   8.789   3.062  -3.615
  138   1HD2  LEU  17           HD21     LEU  17   9.541  -0.971  -3.480
  139   2HD2  LEU  17           HD22     LEU  17   7.824  -0.587  -3.604
  140   3HD2  LEU  17           HD23     LEU  17   8.950  -0.007  -4.826
  141    H    GLY  18           HN       GLY  18   8.542   2.956  -1.404
  142   1HA   GLY  18           HA1      GLY  18   9.106   5.598  -1.093
  143   2HA   GLY  18           HA2      GLY  18   9.915   5.253  -2.618
  144    H    ASN  19           HN       ASN  19   7.206   3.219  -2.654
  145    HA   ASN  19           HA       ASN  19   5.761   5.040  -4.419
  146   1HB   ASN  19           HB2      ASN  19   4.654   2.428  -3.615
  147   2HB   ASN  19           HB3      ASN  19   4.624   3.239  -5.095
  148   1HD2  ASN  19           HD22     ASN  19   6.966   0.204  -5.065
  149   2HD2  ASN  19           HD21     ASN  19   5.500   0.421  -4.253
  150    H    CYS  20           HN       CYS  20   5.843   5.463  -1.475
  151    HA   CYS  20           HA       CYS  20   3.217   4.664  -0.393
  152   1HB   CYS  20           HB2      CYS  20   5.448   5.205   0.890
  153   2HB   CYS  20           HB3      CYS  20   4.831   6.862   0.765
  154    H    ARG  21           HN       ARG  21   2.947   6.176  -2.765
  155    HA   ARG  21           HA       ARG  21   0.861   7.796  -2.634
  156   1HB   ARG  21           HB2      ARG  21   3.157   9.155  -1.406
  157   2HB   ARG  21           HB3      ARG  21   2.222  10.139  -2.544
  158   1HG   ARG  21           HG2      ARG  21   0.389  10.194  -1.208
  159   2HG   ARG  21           HG3      ARG  21   0.551   8.487  -0.788
  160   1HD   ARG  21           HD2      ARG  21   1.586   8.969   1.163
  161   2HD   ARG  21           HD3      ARG  21   2.680  10.109   0.380
  162    HE   ARG  21           HE       ARG  21   0.162  10.784   1.717
  163   1HH1  ARG  21           HH22     ARG  21  -0.525  12.322  -0.458
  164   2HH1  ARG  21           HH21     ARG  21   0.495  13.722  -0.430
  165   1HH2  ARG  21           HH12     ARG  21   2.827  12.308   1.710
  166   2HH2  ARG  21           HH11     ARG  21   2.393  13.713   0.797
  167    H    THR  22           HN       THR  22   3.988   7.233  -4.157
  168    HA   THR  22           HA       THR  22   3.229   8.961  -6.421
  169    HB   THR  22           HB       THR  22   5.433   8.241  -7.340
  170    HG1  THR  22           HG1      THR  22   6.338   6.547  -6.528
  171   1HG2  THR  22           HG22     THR  22   5.479   9.207  -4.473
  172   2HG2  THR  22           HG23     THR  22   6.835   9.312  -5.596
  173   3HG2  THR  22           HG21     THR  22   5.353  10.214  -5.915
  174    H    SER  23           HN       SER  23   2.695   5.717  -5.354
  175    HA   SER  23           HA       SER  23   2.262   4.911  -8.203
  176   1HB   SER  23           HB2      SER  23   3.983   3.643  -6.941
  177   2HB   SER  23           HB3      SER  23   2.838   3.356  -5.648
  178    HG   SER  23           HG       SER  23   1.544   2.429  -7.574
  179    H    GLN  24           HN       GLN  24   0.118   4.142  -8.686
  180    HA   GLN  24           HA       GLN  24  -1.858   5.233  -6.876
  181   1HB   GLN  24           HB2      GLN  24  -1.791   4.621  -9.614
  182   2HB   GLN  24           HB3      GLN  24  -3.087   3.642  -8.922
  183   1HG   GLN  24           HG2      GLN  24  -3.826   5.786  -7.706
  184   2HG   GLN  24           HG3      GLN  24  -2.766   6.642  -8.828
  185   1HE2  GLN  24           HE22     GLN  24  -6.250   6.327 -10.287
  186   2HE2  GLN  24           HE21     GLN  24  -5.686   6.897  -8.791
  187    H    LYS  25           HN       LYS  25  -1.968   1.826  -8.197
  188    HA   LYS  25           HA       LYS  25  -3.728   0.994  -6.143
  189   1HB   LYS  25           HB2      LYS  25  -2.568  -0.272  -8.243
  190   2HB   LYS  25           HB3      LYS  25  -1.582  -0.926  -6.928
  191   1HG   LYS  25           HG2      LYS  25  -3.379  -1.962  -5.888
  192   2HG   LYS  25           HG3      LYS  25  -4.539  -0.814  -6.553
  193   1HD   LYS  25           HD2      LYS  25  -4.692  -3.109  -7.567
  194   2HD   LYS  25           HD3      LYS  25  -4.405  -1.819  -8.737
  195   1HE   LYS  25           HE2      LYS  25  -1.884  -2.377  -8.384
  196   2HE   LYS  25           HE3      LYS  25  -2.480  -3.895  -7.713
  197   1HZ   LYS  25           HZ3      LYS  25  -3.924  -3.582  -9.994
  198   2HZ   LYS  25           HZ1      LYS  25  -2.391  -3.017 -10.439
  199   3HZ   LYS  25           HZ2      LYS  25  -2.565  -4.586  -9.806
  200    H    TYR  26           HN       TYR  26  -0.226   1.121  -6.295
  201    HA   TYR  26           HA       TYR  26   0.529   0.009  -3.836
  202   1HB   TYR  26           HB2      TYR  26   1.364   2.161  -5.663
  203   2HB   TYR  26           HB3      TYR  26   2.277   2.004  -4.145
  204    HD1  TYR  26           HD2      TYR  26   0.633  -1.001  -5.401
  205    HD2  TYR  26           HD1      TYR  26   4.262   1.293  -5.573
  206    HE1  TYR  26           HE2      TYR  26   1.804  -2.935  -6.276
  207    HE2  TYR  26           HE1      TYR  26   5.471  -0.662  -6.463
  208    HH   TYR  26           HH       TYR  26   4.890  -2.772  -7.709
  209    H    ARG  27           HN       ARG  27   0.450   3.615  -4.138
  210    HA   ARG  27           HA       ARG  27   0.120   4.134  -1.454
  211   1HB   ARG  27           HB2      ARG  27  -0.135   6.318  -2.086
  212   2HB   ARG  27           HB3      ARG  27   0.311   5.645  -3.657
  213   1HG   ARG  27           HG2      ARG  27  -1.922   5.543  -4.358
  214   2HG   ARG  27           HG3      ARG  27  -2.550   5.942  -2.728
  215   1HD   ARG  27           HD2      ARG  27  -0.622   7.887  -3.776
  216   2HD   ARG  27           HD3      ARG  27  -2.069   7.759  -4.775
  217    HE   ARG  27           HE       ARG  27  -2.855   7.934  -2.031
  218   1HH1  ARG  27           HH22     ARG  27  -0.541   9.950  -3.129
  219   2HH1  ARG  27           HH21     ARG  27  -1.505  11.389  -3.188
  220   1HH2  ARG  27           HH12     ARG  27  -4.506   9.712  -2.727
  221   2HH2  ARG  27           HH11     ARG  27  -3.751  11.253  -2.961
  222    H    ALA  28           HN       ALA  28  -2.754   3.994  -3.632
  223    HA   ALA  28           HA       ALA  28  -4.593   4.024  -1.431
  224   1HB   ALA  28           HB3      ALA  28  -5.143   4.647  -3.800
  225   2HB   ALA  28           HB1      ALA  28  -5.079   2.933  -4.210
  226   3HB   ALA  28           HB2      ALA  28  -6.289   3.523  -3.070
  227    H    ASN  29           HN       ASN  29  -4.188   1.282  -3.704
  228    HA   ASN  29           HA       ASN  29  -5.344  -0.591  -2.028
  229   1HB   ASN  29           HB2      ASN  29  -3.576  -0.880  -4.381
  230   2HB   ASN  29           HB3      ASN  29  -3.776  -2.298  -3.355
  231   1HD2  ASN  29           HD22     ASN  29  -7.246  -0.754  -4.931
  232   2HD2  ASN  29           HD21     ASN  29  -6.066   0.315  -4.342
  233    H    CYS  30           HN       CYS  30  -2.433   0.825  -1.212
  234    HA   CYS  30           HA       CYS  30  -1.917  -1.333   0.769
  235   1HB   CYS  30           HB2      CYS  30   0.094   0.017  -1.103
  236   2HB   CYS  30           HB3      CYS  30   0.580  -0.785   0.391
  237    H    ALA  31           HN       ALA  31  -3.511   0.711   0.938
  238    HA   ALA  31           HA       ALA  31  -2.473   3.156   1.998
  239   1HB   ALA  31           HB3      ALA  31  -4.678   2.931   0.961
  240   2HB   ALA  31           HB1      ALA  31  -5.193   1.865   2.267
  241   3HB   ALA  31           HB2      ALA  31  -4.821   3.558   2.603
  242    H    LYS  32           HN       LYS  32  -2.597   0.065   3.364
  243    HA   LYS  32           HA       LYS  32  -3.052   0.932   6.160
  244   1HB   LYS  32           HB2      LYS  32  -3.613  -1.266   6.287
  245   2HB   LYS  32           HB3      LYS  32  -3.016  -1.534   4.655
  246   1HG   LYS  32           HG2      LYS  32  -0.696  -1.750   5.610
  247   2HG   LYS  32           HG3      LYS  32  -1.413  -1.689   7.227
  248   1HD   LYS  32           HD2      LYS  32  -1.847  -3.887   7.093
  249   2HD   LYS  32           HD3      LYS  32  -2.707  -3.675   5.556
  250   1HE   LYS  32           HE2      LYS  32   0.252  -3.410   5.519
  251   2HE   LYS  32           HE3      LYS  32  -0.383  -5.047   5.621
  252   1HZ   LYS  32           HZ2      LYS  32  -1.111  -3.006   3.588
  253   2HZ   LYS  32           HZ3      LYS  32  -0.106  -4.353   3.329
  254   3HZ   LYS  32           HZ1      LYS  32  -1.745  -4.580   3.680
  255    H    THR  33           HN       THR  33  -0.633  -0.128   3.986
  256    HA   THR  33           HA       THR  33   1.765  -0.077   5.655
  257    HB   THR  33           HB       THR  33   1.371  -0.166   2.663
  258    HG1  THR  33           HG1      THR  33   1.175  -2.463   4.194
  259   1HG2  THR  33           HG21     THR  33   3.564  -0.655   4.400
  260   2HG2  THR  33           HG22     THR  33   2.993  -2.229   3.829
  261   3HG2  THR  33           HG23     THR  33   3.454  -0.980   2.669
  262    H    CYS  34           HN       CYS  34  -0.013   2.102   3.655
  263    HA   CYS  34           HA       CYS  34   2.181   4.130   3.792
  264   1HB   CYS  34           HB2      CYS  34   1.030   3.256   1.647
  265   2HB   CYS  34           HB3      CYS  34  -0.293   4.263   2.086
  266    H    GLU  35           HN       GLU  35  -0.769   3.248   5.220
  267    HA   GLU  35           HA       GLU  35  -2.262   4.334   6.578
  268   1HB   GLU  35           HB2      GLU  35   0.177   6.109   6.813
  269   2HB   GLU  35           HB3      GLU  35  -1.286   6.363   7.807
  270   1HG   GLU  35           HG2      GLU  35  -1.259   4.182   8.665
  271   2HG   GLU  35           HG3      GLU  35  -0.081   3.642   7.475
  272    H    LEU  36           HN       LEU  36  -2.257   4.720   3.825
  273    HA   LEU  36           HA       LEU  36  -3.139   7.466   3.275
  274   1HB   LEU  36           HB2      LEU  36  -3.043   4.910   1.690
  275   2HB   LEU  36           HB3      LEU  36  -3.577   6.383   0.948
  276    HG   LEU  36           HG       LEU  36  -0.898   6.016   2.289
  277   1HD1  LEU  36           HD11     LEU  36  -1.782   5.799  -0.593
  278   2HD1  LEU  36           HD12     LEU  36  -0.134   6.303  -0.195
  279   3HD1  LEU  36           HD13     LEU  36  -0.717   4.728   0.323
  280   1HD2  LEU  36           HD21     LEU  36  -1.750   8.351   2.259
  281   2HD2  LEU  36           HD22     LEU  36  -0.326   8.155   1.237
  282   3HD2  LEU  36           HD23     LEU  36  -1.929   8.246   0.505
  283    H    CYS  37           HN       CYS  37  -4.387   4.565   4.656
  284    HA   CYS  37           HA       CYS  37  -7.118   5.686   4.355
  285   1HB   CYS  37           HB2      CYS  37  -6.253   2.890   3.605
  286   2HB   CYS  37           HB3      CYS  37  -7.912   3.249   4.076
   
  No H/Q in entry =         286
  Start of MODEL   14
    1   1H    VAL   1           HN3      VAL   1 -13.353  -0.875  -0.096
    2   2H    VAL   1           HN2      VAL   1 -14.678  -0.535   0.914
    3   3H    VAL   1           HN       VAL   1 -14.520   0.249  -0.587
    4    HA   VAL   1           HA       VAL   1 -13.539   1.911   0.484
    5    HB   VAL   1           HB       VAL   1 -14.553   0.956   2.576
    6   1HG1  VAL   1           HG12     VAL   1 -12.805  -1.096   2.221
    7   2HG1  VAL   1           HG13     VAL   1 -11.926  -0.133   3.410
    8   3HG1  VAL   1           HG11     VAL   1 -13.552  -0.713   3.772
    9   1HG2  VAL   1           HG22     VAL   1 -12.620   2.892   2.286
   10   2HG2  VAL   1           HG23     VAL   1 -13.482   2.564   3.789
   11   3HG2  VAL   1           HG21     VAL   1 -11.896   1.845   3.507
   12    H    CYS   2           HN       CYS   2 -11.406   2.705   0.482
   13    HA   CYS   2           HA       CYS   2  -9.418   1.084  -0.721
   14   1HB   CYS   2           HB2      CYS   2  -7.825   2.946   0.116
   15   2HB   CYS   2           HB3      CYS   2  -9.127   3.420  -0.972
   16    H    ARG   3           HN       ARG   3  -7.158   0.780   0.408
   17    HA   ARG   3           HA       ARG   3  -6.362   0.558   2.931
   18   1HB   ARG   3           HB2      ARG   3  -7.229  -1.742   3.709
   19   2HB   ARG   3           HB3      ARG   3  -8.376  -0.407   3.836
   20   1HG   ARG   3           HG2      ARG   3  -9.805  -1.505   2.503
   21   2HG   ARG   3           HG3      ARG   3  -8.606  -1.485   1.208
   22   1HD   ARG   3           HD2      ARG   3  -9.112  -3.790   1.586
   23   2HD   ARG   3           HD3      ARG   3  -7.540  -3.507   2.333
   24    HE   ARG   3           HE       ARG   3  -8.962  -4.625   4.021
   25   1HH1  ARG   3           HH22     ARG   3 -11.437  -2.957   3.198
   26   2HH1  ARG   3           HH21     ARG   3 -11.601  -1.940   4.591
   27   1HH2  ARG   3           HH12     ARG   3  -8.431  -2.635   5.806
   28   2HH2  ARG   3           HH11     ARG   3  -9.903  -1.758   6.065
   29    H    ASP   4           HN       ASP   4  -5.052  -1.692   3.313
   30    HA   ASP   4           HA       ASP   4  -3.385  -2.054   1.069
   31   1HB   ASP   4           HB2      ASP   4  -2.839  -4.332   2.140
   32   2HB   ASP   4           HB3      ASP   4  -2.620  -2.931   3.190
   33    H    TRP   5           HN       TRP   5  -3.325  -4.221  -0.357
   34    HA   TRP   5           HA       TRP   5  -6.035  -5.396  -0.559
   35   1HB   TRP   5           HB2      TRP   5  -4.961  -3.376  -2.449
   36   2HB   TRP   5           HB3      TRP   5  -5.758  -4.773  -3.182
   37    HD1  TRP   5           HD1      TRP   5  -6.536  -1.519  -1.669
   38    HE1  TRP   5           HE1      TRP   5  -9.042  -1.334  -1.116
   39    HE3  TRP   5           HE3      TRP   5  -7.897  -6.402  -2.180
   40    HZ2  TRP   5           HZ2      TRP   5 -11.338  -3.043  -0.914
   41    HZ3  TRP   5           HZ3      TRP   5 -10.243  -7.101  -1.802
   42    HH2  TRP   5           HH2      TRP   5 -11.963  -5.435  -1.171
   43    H    PHE   6           HN       PHE   6  -2.596  -5.299  -1.695
   44    HA   PHE   6           HA       PHE   6  -2.912  -7.848  -3.102
   45   1HB   PHE   6           HB2      PHE   6  -0.450  -6.371  -2.098
   46   2HB   PHE   6           HB3      PHE   6  -0.473  -7.619  -3.349
   47    HD1  PHE   6           HD2      PHE   6  -3.056  -6.625  -4.698
   48    HD2  PHE   6           HD1      PHE   6   0.510  -4.646  -3.364
   49    HE1  PHE   6           HE2      PHE   6  -3.410  -4.882  -6.364
   50    HE2  PHE   6           HE1      PHE   6   0.190  -2.903  -5.005
   51    HZ   PHE   6           HZ       PHE   6  -1.788  -2.995  -6.540
   52    H    LYS   7           HN       LYS   7  -0.215  -8.659  -1.741
   53    HA   LYS   7           HA       LYS   7  -1.418  -9.946   0.597
   54   1HB   LYS   7           HB2      LYS   7   0.730 -10.639  -0.898
   55   2HB   LYS   7           HB3      LYS   7   1.574  -9.647   0.293
   56   1HG   LYS   7           HG2      LYS   7   1.660 -11.719   1.332
   57   2HG   LYS   7           HG3      LYS   7   0.170 -11.068   2.020
   58   1HD   LYS   7           HD2      LYS   7  -1.004 -12.182  -0.006
   59   2HD   LYS   7           HD3      LYS   7   0.486 -13.116  -0.167
   60   1HE   LYS   7           HE2      LYS   7   0.230 -14.128   1.943
   61   2HE   LYS   7           HE3      LYS   7  -0.925 -12.911   2.487
   62   1HZ   LYS   7           HZ2      LYS   7  -1.654 -14.449   0.126
   63   2HZ   LYS   7           HZ3      LYS   7  -1.663 -15.287   1.605
   64   3HZ   LYS   7           HZ1      LYS   7  -2.625 -13.906   1.412
   65    H    GLU   8           HN       GLU   8  -0.966  -9.143   2.858
   66    HA   GLU   8           HA       GLU   8  -0.855  -6.303   3.065
   67   1HB   GLU   8           HB2      GLU   8  -0.401  -8.545   5.010
   68   2HB   GLU   8           HB3      GLU   8  -0.002  -6.895   5.493
   69   1HG   GLU   8           HG2      GLU   8  -2.172  -6.550   5.948
   70   2HG   GLU   8           HG3      GLU   8  -2.518  -6.740   4.228
   71    H    THR   9           HN       THR   9   1.733  -8.478   2.375
   72    HA   THR   9           HA       THR   9   3.596  -6.395   3.307
   73    HB   THR   9           HB       THR   9   5.315  -8.265   2.568
   74    HG1  THR   9           HG1      THR   9   4.393 -10.124   2.151
   75   1HG2  THR   9           HG23     THR   9   3.746  -7.526   4.867
   76   2HG2  THR   9           HG21     THR   9   4.177  -9.236   4.953
   77   3HG2  THR   9           HG22     THR   9   5.444  -8.013   4.794
   78    H    ALA  10           HN       ALA  10   2.231  -7.522   0.335
   79    HA   ALA  10           HA       ALA  10   4.246  -6.601  -1.539
   80   1HB   ALA  10           HB3      ALA  10   1.249  -6.850  -1.538
   81   2HB   ALA  10           HB1      ALA  10   1.904  -5.658  -2.655
   82   3HB   ALA  10           HB2      ALA  10   2.370  -7.355  -2.805
   83    H    CYS  11           HN       CYS  11   1.631  -5.199   0.229
   84    HA   CYS  11           HA       CYS  11   2.011  -2.485  -0.493
   85   1HB   CYS  11           HB2      CYS  11   0.787  -3.905   1.913
   86   2HB   CYS  11           HB3      CYS  11   0.599  -2.167   1.626
   87    H    ARG  12           HN       ARG  12   3.498  -4.448   2.074
   88    HA   ARG  12           HA       ARG  12   4.964  -2.343   3.346
   89   1HB   ARG  12           HB2      ARG  12   5.171  -4.365   4.484
   90   2HB   ARG  12           HB3      ARG  12   5.467  -5.288   2.996
   91   1HG   ARG  12           HG2      ARG  12   7.637  -4.544   2.771
   92   2HG   ARG  12           HG3      ARG  12   7.357  -3.089   3.726
   93   1HD   ARG  12           HD2      ARG  12   7.782  -4.145   5.705
   94   2HD   ARG  12           HD3      ARG  12   6.968  -5.625   5.199
   95    HE   ARG  12           HE       ARG  12   9.056  -6.208   3.951
   96   1HH1  ARG  12           HH22     ARG  12  11.102  -4.752   3.556
   97   2HH1  ARG  12           HH21     ARG  12  11.934  -4.397   5.033
   98   1HH2  ARG  12           HH12     ARG  12   9.270  -5.300   7.060
   99   2HH2  ARG  12           HH11     ARG  12  10.896  -4.707   7.017
  100    H    HIS  13           HN       HIS  13   5.546  -4.107   0.344
  101    HA   HIS  13           HA       HIS  13   8.238  -3.067   0.006
  102   1HB   HIS  13           HB2      HIS  13   7.960  -5.072  -1.138
  103   2HB   HIS  13           HB3      HIS  13   6.330  -4.654  -1.677
  104    HD1  HIS  13           HD1      HIS  13   9.827  -4.565  -2.813
  105    HD2  HIS  13           HD2      HIS  13   6.314  -2.500  -3.624
  106    HE1  HIS  13           HE1      HIS  13  10.205  -3.355  -5.009
  107    H    ALA  14           HN       ALA  14   5.062  -1.839  -0.717
  108    HA   ALA  14           HA       ALA  14   6.298   0.166  -2.586
  109   1HB   ALA  14           HB3      ALA  14   3.508  -0.631  -1.813
  110   2HB   ALA  14           HB1      ALA  14   3.794   0.892  -2.661
  111   3HB   ALA  14           HB2      ALA  14   4.260  -0.641  -3.410
  112    H    LYS  15           HN       LYS  15   4.993   0.042   0.679
  113    HA   LYS  15           HA       LYS  15   4.970   2.972   0.980
  114   1HB   LYS  15           HB2      LYS  15   4.176   0.562   2.640
  115   2HB   LYS  15           HB3      LYS  15   4.328   2.135   3.433
  116   1HG   LYS  15           HG2      LYS  15   2.141   2.190   2.586
  117   2HG   LYS  15           HG3      LYS  15   3.116   3.103   1.429
  118   1HD   LYS  15           HD2      LYS  15   3.148   0.344   0.679
  119   2HD   LYS  15           HD3      LYS  15   1.477   0.840   0.917
  120   1HE   LYS  15           HE2      LYS  15   3.507   2.238  -0.845
  121   2HE   LYS  15           HE3      LYS  15   2.165   1.244  -1.396
  122   1HZ   LYS  15           HZ3      LYS  15   1.821   3.709   0.240
  123   2HZ   LYS  15           HZ1      LYS  15   1.733   3.658  -1.449
  124   3HZ   LYS  15           HZ2      LYS  15   0.616   2.790  -0.501
  125    H    SER  16           HN       SER  16   7.105   0.120   1.608
  126    HA   SER  16           HA       SER  16   8.915   1.713   3.298
  127   1HB   SER  16           HB2      SER  16   8.276  -0.874   3.334
  128   2HB   SER  16           HB3      SER  16   9.590  -0.929   2.166
  129    HG   SER  16           HG       SER  16  10.372  -1.159   4.310
  130    H    LEU  17           HN       LEU  17   8.617   0.847  -0.085
  131    HA   LEU  17           HA       LEU  17  11.490   1.236  -0.561
  132   1HB   LEU  17           HB2      LEU  17  11.093   0.229  -2.606
  133   2HB   LEU  17           HB3      LEU  17   9.794  -0.413  -1.620
  134    HG   LEU  17           HG       LEU  17   8.324   1.376  -2.507
  135   1HD1  LEU  17           HD13     LEU  17  10.814   2.239  -3.650
  136   2HD1  LEU  17           HD11     LEU  17   9.713   1.828  -4.971
  137   3HD1  LEU  17           HD12     LEU  17   9.242   3.034  -3.760
  138   1HD2  LEU  17           HD23     LEU  17   9.400  -1.026  -3.616
  139   2HD2  LEU  17           HD21     LEU  17   7.739  -0.447  -3.641
  140   3HD2  LEU  17           HD22     LEU  17   8.839   0.026  -4.931
  141    H    GLY  18           HN       GLY  18   8.558   2.892  -1.477
  142   1HA   GLY  18           HA1      GLY  18   9.277   5.513  -1.162
  143   2HA   GLY  18           HA2      GLY  18   9.981   5.111  -2.729
  144    H    ASN  19           HN       ASN  19   7.512   3.123  -3.082
  145    HA   ASN  19           HA       ASN  19   5.914   4.994  -4.571
  146   1HB   ASN  19           HB2      ASN  19   4.753   2.400  -3.766
  147   2HB   ASN  19           HB3      ASN  19   4.716   3.243  -5.231
  148   1HD2  ASN  19           HD22     ASN  19   6.917   0.098  -5.223
  149   2HD2  ASN  19           HD21     ASN  19   5.517   0.404  -4.324
  150    H    CYS  20           HN       CYS  20   6.051   4.578  -1.274
  151    HA   CYS  20           HA       CYS  20   3.595   3.999  -0.232
  152   1HB   CYS  20           HB2      CYS  20   4.759   4.888   1.513
  153   2HB   CYS  20           HB3      CYS  20   5.492   6.162   0.515
  154    H    ARG  21           HN       ARG  21   4.348   7.008  -1.922
  155    HA   ARG  21           HA       ARG  21   1.398   7.520  -2.196
  156   1HB   ARG  21           HB2      ARG  21   3.437   9.061  -0.975
  157   2HB   ARG  21           HB3      ARG  21   2.800   9.919  -2.381
  158   1HG   ARG  21           HG2      ARG  21   0.531   8.820  -1.165
  159   2HG   ARG  21           HG3      ARG  21   1.490   9.429   0.187
  160   1HD   ARG  21           HD2      ARG  21   1.313  11.239  -2.150
  161   2HD   ARG  21           HD3      ARG  21  -0.196  10.987  -1.271
  162    HE   ARG  21           HE       ARG  21   0.830  11.962   0.691
  163   1HH1  ARG  21           HH12     ARG  21   3.531  11.344   0.916
  164   2HH1  ARG  21           HH11     ARG  21   4.396  12.667   0.207
  165   1HH2  ARG  21           HH22     ARG  21   1.649  13.879  -1.528
  166   2HH2  ARG  21           HH21     ARG  21   3.330  14.101  -1.177
  167    H    THR  22           HN       THR  22   3.997   6.690  -3.973
  168    HA   THR  22           HA       THR  22   3.441   8.625  -6.172
  169    HB   THR  22           HB       THR  22   5.559   8.137  -7.061
  170    HG1  THR  22           HG1      THR  22   5.938   6.079  -7.165
  171   1HG2  THR  22           HG21     THR  22   5.381   9.012  -4.514
  172   2HG2  THR  22           HG22     THR  22   6.369   7.572  -4.267
  173   3HG2  THR  22           HG23     THR  22   6.914   8.836  -5.369
  174    H    SER  23           HN       SER  23   2.478   5.503  -5.235
  175    HA   SER  23           HA       SER  23   1.990   4.878  -8.117
  176   1HB   SER  23           HB2      SER  23   2.934   3.256  -5.783
  177   2HB   SER  23           HB3      SER  23   1.994   2.443  -7.046
  178    HG   SER  23           HG       SER  23   4.255   4.118  -7.498
  179    H    GLN  24           HN       GLN  24  -0.161   3.981  -8.579
  180    HA   GLN  24           HA       GLN  24  -2.154   4.993  -6.723
  181   1HB   GLN  24           HB2      GLN  24  -2.800   3.341  -9.154
  182   2HB   GLN  24           HB3      GLN  24  -3.774   4.594  -8.386
  183   1HG   GLN  24           HG2      GLN  24  -2.178   6.309  -9.067
  184   2HG   GLN  24           HG3      GLN  24  -1.117   5.080  -9.762
  185   1HE2  GLN  24           HE21     GLN  24  -2.508   7.322 -11.189
  186   2HE2  GLN  24           HE22     GLN  24  -3.464   6.578 -12.379
  187    H    LYS  25           HN       LYS  25  -1.445   1.597  -7.842
  188    HA   LYS  25           HA       LYS  25  -3.376   0.631  -5.851
  189   1HB   LYS  25           HB2      LYS  25  -2.680  -0.328  -8.238
  190   2HB   LYS  25           HB3      LYS  25  -1.572  -1.252  -7.184
  191   1HG   LYS  25           HG2      LYS  25  -3.274  -2.092  -5.841
  192   2HG   LYS  25           HG3      LYS  25  -4.403  -0.851  -6.361
  193   1HD   LYS  25           HD2      LYS  25  -3.373  -2.974  -8.251
  194   2HD   LYS  25           HD3      LYS  25  -4.838  -3.203  -7.292
  195   1HE   LYS  25           HE2      LYS  25  -4.899  -0.615  -8.574
  196   2HE   LYS  25           HE3      LYS  25  -4.625  -1.875  -9.777
  197   1HZ   LYS  25           HZ3      LYS  25  -6.537  -2.886  -8.082
  198   2HZ   LYS  25           HZ1      LYS  25  -6.988  -1.271  -8.314
  199   3HZ   LYS  25           HZ2      LYS  25  -6.781  -2.293  -9.656
  200    H    TYR  26           HN       TYR  26  -0.813   1.910  -5.229
  201    HA   TYR  26           HA       TYR  26   0.584   0.110  -3.296
  202   1HB   TYR  26           HB2      TYR  26   1.207   2.138  -5.391
  203   2HB   TYR  26           HB3      TYR  26   2.247   2.159  -3.957
  204    HD1  TYR  26           HD2      TYR  26   0.779  -1.107  -4.630
  205    HD2  TYR  26           HD1      TYR  26   4.056   1.473  -5.665
  206    HE1  TYR  26           HE2      TYR  26   2.006  -3.005  -5.433
  207    HE2  TYR  26           HE1      TYR  26   5.330  -0.473  -6.494
  208    HH   TYR  26           HH       TYR  26   5.106  -2.679  -7.131
  209    H    ARG  27           HN       ARG  27   0.489   3.649  -3.948
  210    HA   ARG  27           HA       ARG  27   0.089   4.524  -1.320
  211   1HB   ARG  27           HB2      ARG  27  -0.198   6.586  -2.264
  212   2HB   ARG  27           HB3      ARG  27   0.253   5.744  -3.758
  213   1HG   ARG  27           HG2      ARG  27  -2.095   5.352  -4.252
  214   2HG   ARG  27           HG3      ARG  27  -2.573   6.189  -2.759
  215   1HD   ARG  27           HD2      ARG  27  -0.936   7.455  -4.974
  216   2HD   ARG  27           HD3      ARG  27  -2.683   7.639  -4.815
  217    HE   ARG  27           HE       ARG  27  -0.662   8.947  -3.160
  218   1HH1  ARG  27           HH22     ARG  27  -2.601   7.435  -1.354
  219   2HH1  ARG  27           HH21     ARG  27  -3.795   8.654  -1.052
  220   1HH2  ARG  27           HH12     ARG  27  -2.759  10.689  -3.663
  221   2HH2  ARG  27           HH11     ARG  27  -3.884  10.496  -2.359
  222    H    ALA  28           HN       ALA  28  -2.332   3.491  -3.686
  223    HA   ALA  28           HA       ALA  28  -4.489   3.930  -1.712
  224   1HB   ALA  28           HB2      ALA  28  -4.641   4.527  -4.197
  225   2HB   ALA  28           HB3      ALA  28  -4.855   2.797  -4.470
  226   3HB   ALA  28           HB1      ALA  28  -6.011   3.683  -3.476
  227    H    ASN  29           HN       ASN  29  -3.253   1.107  -3.622
  228    HA   ASN  29           HA       ASN  29  -5.007  -0.596  -2.040
  229   1HB   ASN  29           HB2      ASN  29  -3.380  -0.900  -4.421
  230   2HB   ASN  29           HB3      ASN  29  -3.346  -2.346  -3.399
  231   1HD2  ASN  29           HD22     ASN  29  -7.110  -1.148  -4.543
  232   2HD2  ASN  29           HD21     ASN  29  -6.032   0.000  -3.910
  233    H    CYS  30           HN       CYS  30  -2.442   0.895  -1.087
  234    HA   CYS  30           HA       CYS  30  -1.652  -1.190   0.862
  235   1HB   CYS  30           HB2      CYS  30   0.331   0.291  -0.934
  236   2HB   CYS  30           HB3      CYS  30   0.757  -0.800   0.380
  237    H    ALA  31           HN       ALA  31  -3.285   1.063   0.952
  238    HA   ALA  31           HA       ALA  31  -2.023   3.362   2.102
  239   1HB   ALA  31           HB2      ALA  31  -4.705   2.377   1.472
  240   2HB   ALA  31           HB3      ALA  31  -4.670   3.349   2.943
  241   3HB   ALA  31           HB1      ALA  31  -4.086   4.025   1.420
  242    H    LYS  32           HN       LYS  32  -2.472   0.276   3.311
  243    HA   LYS  32           HA       LYS  32  -2.953   1.015   6.132
  244   1HB   LYS  32           HB2      LYS  32  -3.781  -1.105   5.968
  245   2HB   LYS  32           HB3      LYS  32  -2.895  -1.418   4.480
  246   1HG   LYS  32           HG2      LYS  32  -1.432  -1.367   7.113
  247   2HG   LYS  32           HG3      LYS  32  -2.328  -2.800   6.629
  248   1HD   LYS  32           HD2      LYS  32  -0.954  -2.289   4.335
  249   2HD   LYS  32           HD3      LYS  32   0.192  -1.701   5.538
  250   1HE   LYS  32           HE2      LYS  32  -0.937  -4.477   5.220
  251   2HE   LYS  32           HE3      LYS  32   0.757  -4.009   5.322
  252   1HZ   LYS  32           HZ2      LYS  32  -0.305  -3.075   7.639
  253   2HZ   LYS  32           HZ3      LYS  32  -1.123  -4.550   7.421
  254   3HZ   LYS  32           HZ1      LYS  32   0.570  -4.522   7.466
  255    H    THR  33           HN       THR  33  -0.420   0.371   3.873
  256    HA   THR  33           HA       THR  33   1.793   0.043   5.779
  257    HB   THR  33           HB       THR  33   1.886   0.274   2.792
  258    HG1  THR  33           HG1      THR  33   1.199  -2.172   3.577
  259   1HG2  THR  33           HG21     THR  33   3.741  -0.424   4.582
  260   2HG2  THR  33           HG22     THR  33   2.924  -1.995   4.410
  261   3HG2  THR  33           HG23     THR  33   3.596  -1.175   2.993
  262    H    CYS  34           HN       CYS  34   0.214   2.565   3.998
  263    HA   CYS  34           HA       CYS  34   2.455   4.339   4.876
  264   1HB   CYS  34           HB2      CYS  34   1.809   4.137   2.259
  265   2HB   CYS  34           HB3      CYS  34   0.615   5.283   2.742
  266    H    GLU  35           HN       GLU  35  -0.678   3.494   5.547
  267    HA   GLU  35           HA       GLU  35  -2.349   4.514   6.739
  268   1HB   GLU  35           HB2      GLU  35  -0.081   6.457   7.260
  269   2HB   GLU  35           HB3      GLU  35  -1.646   6.516   8.120
  270   1HG   GLU  35           HG2      GLU  35  -1.463   4.090   8.547
  271   2HG   GLU  35           HG3      GLU  35   0.180   4.126   7.922
  272    H    LEU  36           HN       LEU  36  -2.014   4.909   3.966
  273    HA   LEU  36           HA       LEU  36  -2.932   7.634   3.336
  274   1HB   LEU  36           HB2      LEU  36  -2.596   5.100   1.761
  275   2HB   LEU  36           HB3      LEU  36  -3.164   6.547   0.995
  276    HG   LEU  36           HG       LEU  36  -0.666   6.606   2.616
  277   1HD1  LEU  36           HD13     LEU  36  -0.759   4.728   0.731
  278   2HD1  LEU  36           HD11     LEU  36  -0.486   6.099  -0.346
  279   3HD1  LEU  36           HD12     LEU  36   0.683   5.725   0.917
  280   1HD2  LEU  36           HD22     LEU  36  -2.111   8.462   1.067
  281   2HD2  LEU  36           HD23     LEU  36  -0.510   8.699   1.772
  282   3HD2  LEU  36           HD21     LEU  36  -0.668   8.095   0.122
  283    H    CYS  37           HN       CYS  37  -4.247   4.726   4.579
  284    HA   CYS  37           HA       CYS  37  -6.882   5.637   4.705
  285   1HB   CYS  37           HB2      CYS  37  -7.185   5.638   2.363
  286   2HB   CYS  37           HB3      CYS  37  -6.259   4.150   2.153
   
  No H/Q in entry =         286
  Start of MODEL   15
    1   1H    VAL   1           HN       VAL   1 -14.240   1.259   2.148
    2   2H    VAL   1           HN3      VAL   1 -15.018  -0.081   2.832
    3   3H    VAL   1           HN2      VAL   1 -15.517   1.490   3.247
    4    HA   VAL   1           HA       VAL   1 -13.947   1.740   4.789
    5    HB   VAL   1           HB       VAL   1 -13.256  -0.335   5.822
    6   1HG1  VAL   1           HG13     VAL   1 -15.933  -0.466   4.423
    7   2HG1  VAL   1           HG11     VAL   1 -15.433  -1.673   5.608
    8   3HG1  VAL   1           HG12     VAL   1 -15.598   0.017   6.086
    9   1HG2  VAL   1           HG22     VAL   1 -13.220  -1.217   3.035
   10   2HG2  VAL   1           HG23     VAL   1 -12.390  -1.903   4.431
   11   3HG2  VAL   1           HG21     VAL   1 -14.054  -2.366   4.079
   12    H    CYS   2           HN       CYS   2 -11.589   1.655   5.336
   13    HA   CYS   2           HA       CYS   2 -10.008   1.751   2.834
   14   1HB   CYS   2           HB2      CYS   2  -8.353   2.993   4.141
   15   2HB   CYS   2           HB3      CYS   2  -9.949   3.698   4.398
   16    H    ARG   3           HN       ARG   3  -7.641   0.895   3.114
   17    HA   ARG   3           HA       ARG   3  -6.537  -0.792   4.887
   18   1HB   ARG   3           HB2      ARG   3  -7.331  -3.111   4.159
   19   2HB   ARG   3           HB3      ARG   3  -8.460  -2.204   5.160
   20   1HG   ARG   3           HG2      ARG   3 -10.011  -2.172   3.528
   21   2HG   ARG   3           HG3      ARG   3  -8.839  -1.581   2.347
   22   1HD   ARG   3           HD2      ARG   3  -9.701  -3.764   1.640
   23   2HD   ARG   3           HD3      ARG   3  -7.992  -3.892   2.054
   24    HE   ARG   3           HE       ARG   3  -8.710  -5.526   3.583
   25   1HH1  ARG   3           HH22     ARG   3 -11.440  -3.728   2.760
   26   2HH1  ARG   3           HH21     ARG   3 -12.274  -3.992   4.254
   27   1HH2  ARG   3           HH12     ARG   3  -9.577  -5.539   5.791
   28   2HH2  ARG   3           HH11     ARG   3 -11.219  -5.018   5.970
   29    H    ASP   4           HN       ASP   4  -5.613  -2.996   3.435
   30    HA   ASP   4           HA       ASP   4  -4.361  -1.581   1.157
   31   1HB   ASP   4           HB2      ASP   4  -2.521  -2.995   1.397
   32   2HB   ASP   4           HB3      ASP   4  -3.100  -2.929   3.063
   33    H    TRP   5           HN       TRP   5  -3.630  -4.026  -0.355
   34    HA   TRP   5           HA       TRP   5  -6.265  -5.237  -0.942
   35   1HB   TRP   5           HB2      TRP   5  -4.975  -3.122  -2.571
   36   2HB   TRP   5           HB3      TRP   5  -5.628  -4.490  -3.481
   37    HD1  TRP   5           HD1      TRP   5  -6.741  -1.268  -2.319
   38    HE1  TRP   5           HE1      TRP   5  -9.288  -1.185  -1.984
   39    HE3  TRP   5           HE3      TRP   5  -7.792  -6.259  -2.364
   40    HZ2  TRP   5           HZ2      TRP   5 -11.499  -3.002  -1.762
   41    HZ3  TRP   5           HZ3      TRP   5 -10.120  -7.058  -2.089
   42    HH2  TRP   5           HH2      TRP   5 -11.972  -5.441  -1.789
   43    H    PHE   6           HN       PHE   6  -2.744  -4.930  -1.722
   44    HA   PHE   6           HA       PHE   6  -2.648  -7.495  -3.151
   45   1HB   PHE   6           HB2      PHE   6  -0.574  -5.687  -1.887
   46   2HB   PHE   6           HB3      PHE   6  -0.191  -7.054  -2.935
   47    HD1  PHE   6           HD1      PHE   6  -2.788  -6.325  -4.700
   48    HD2  PHE   6           HD2      PHE   6   0.692  -4.237  -3.313
   49    HE1  PHE   6           HE1      PHE   6  -2.945  -4.790  -6.616
   50    HE2  PHE   6           HE2      PHE   6   0.567  -2.711  -5.190
   51    HZ   PHE   6           HZ       PHE   6  -1.262  -2.970  -6.866
   52    H    LYS   7           HN       LYS   7  -0.406  -8.616  -1.906
   53    HA   LYS   7           HA       LYS   7  -1.464  -9.768   0.509
   54   1HB   LYS   7           HB2      LYS   7   1.204  -9.677  -0.858
   55   2HB   LYS   7           HB3      LYS   7   1.258  -9.973   0.881
   56   1HG   LYS   7           HG2      LYS   7   1.142 -12.118  -0.205
   57   2HG   LYS   7           HG3      LYS   7  -0.431 -11.818   0.534
   58   1HD   LYS   7           HD2      LYS   7  -1.160 -12.433  -1.554
   59   2HD   LYS   7           HD3      LYS   7  -0.900 -10.715  -1.867
   60   1HE   LYS   7           HE2      LYS   7   1.139 -11.089  -2.967
   61   2HE   LYS   7           HE3      LYS   7   1.342 -12.687  -2.248
   62   1HZ   LYS   7           HZ1      LYS   7  -0.998 -12.920  -3.576
   63   2HZ   LYS   7           HZ2      LYS   7  -0.105 -11.903  -4.607
   64   3HZ   LYS   7           HZ3      LYS   7   0.507 -13.427  -4.165
   65    H    GLU   8           HN       GLU   8  -0.993  -8.993   2.743
   66    HA   GLU   8           HA       GLU   8  -0.930  -6.157   3.071
   67   1HB   GLU   8           HB2      GLU   8  -1.466  -6.906   5.145
   68   2HB   GLU   8           HB3      GLU   8  -0.905  -8.526   4.707
   69   1HG   GLU   8           HG2      GLU   8   1.354  -8.011   5.311
   70   2HG   GLU   8           HG3      GLU   8   0.973  -6.301   5.533
   71    H    THR   9           HN       THR   9   1.580  -8.392   2.428
   72    HA   THR   9           HA       THR   9   3.652  -6.519   3.346
   73    HB   THR   9           HB       THR   9   5.161  -8.437   2.662
   74    HG1  THR   9           HG1      THR   9   3.454 -10.352   2.539
   75   1HG2  THR   9           HG22     THR   9   3.117  -8.134   4.691
   76   2HG2  THR   9           HG23     THR   9   3.523  -9.835   4.452
   77   3HG2  THR   9           HG21     THR   9   4.789  -8.673   4.871
   78    H    ALA  10           HN       ALA  10   2.145  -7.495   0.373
   79    HA   ALA  10           HA       ALA  10   4.036  -6.570  -1.582
   80   1HB   ALA  10           HB2      ALA  10   1.008  -6.505  -1.395
   81   2HB   ALA  10           HB3      ALA  10   1.786  -5.607  -2.690
   82   3HB   ALA  10           HB1      ALA  10   1.986  -7.362  -2.588
   83    H    CYS  11           HN       CYS  11   1.665  -5.067   0.437
   84    HA   CYS  11           HA       CYS  11   2.209  -2.354  -0.321
   85   1HB   CYS  11           HB2      CYS  11   0.833  -3.720   2.038
   86   2HB   CYS  11           HB3      CYS  11   0.749  -1.962   1.749
   87    H    ARG  12           HN       ARG  12   3.500  -4.474   2.270
   88    HA   ARG  12           HA       ARG  12   5.031  -2.491   3.563
   89   1HB   ARG  12           HB2      ARG  12   4.929  -4.933   4.249
   90   2HB   ARG  12           HB3      ARG  12   6.066  -5.279   2.923
   91   1HG   ARG  12           HG2      ARG  12   7.214  -3.096   3.982
   92   2HG   ARG  12           HG3      ARG  12   6.532  -3.823   5.442
   93   1HD   ARG  12           HD2      ARG  12   7.867  -5.727   5.286
   94   2HD   ARG  12           HD3      ARG  12   8.019  -5.596   3.534
   95    HE   ARG  12           HE       ARG  12   9.738  -3.900   3.859
   96   1HH1  ARG  12           HH12     ARG  12   8.203  -4.030   6.812
   97   2HH1  ARG  12           HH11     ARG  12   9.644  -4.118   7.769
   98   1HH2  ARG  12           HH22     ARG  12  11.741  -4.590   5.049
   99   2HH2  ARG  12           HH21     ARG  12  11.646  -4.436   6.772
  100    H    HIS  13           HN       HIS  13   5.435  -4.018   0.409
  101    HA   HIS  13           HA       HIS  13   8.151  -3.055   0.018
  102   1HB   HIS  13           HB2      HIS  13   7.495  -4.842  -1.474
  103   2HB   HIS  13           HB3      HIS  13   6.031  -3.967  -1.973
  104    HD1  HIS  13           HD1      HIS  13   9.727  -4.063  -2.615
  105    HD2  HIS  13           HD2      HIS  13   6.470  -1.645  -3.509
  106    HE1  HIS  13           HE1      HIS  13  10.492  -2.462  -4.431
  107    H    ALA  14           HN       ALA  14   4.916  -1.846  -0.732
  108    HA   ALA  14           HA       ALA  14   5.966   0.580  -2.033
  109   1HB   ALA  14           HB1      ALA  14   3.447  -0.531  -1.822
  110   2HB   ALA  14           HB2      ALA  14   3.350   0.818  -0.692
  111   3HB   ALA  14           HB3      ALA  14   3.780   1.115  -2.387
  112    H    LYS  15           HN       LYS  15   4.363   0.374   1.242
  113    HA   LYS  15           HA       LYS  15   5.041   2.860   2.199
  114   1HB   LYS  15           HB2      LYS  15   3.868   1.601   3.681
  115   2HB   LYS  15           HB3      LYS  15   4.708   0.118   3.273
  116   1HG   LYS  15           HG2      LYS  15   5.261   0.793   5.543
  117   2HG   LYS  15           HG3      LYS  15   6.680   0.883   4.502
  118   1HD   LYS  15           HD2      LYS  15   6.072   3.369   4.184
  119   2HD   LYS  15           HD3      LYS  15   5.002   3.156   5.571
  120   1HE   LYS  15           HE2      LYS  15   7.835   2.212   5.793
  121   2HE   LYS  15           HE3      LYS  15   7.502   3.938   5.935
  122   1HZ   LYS  15           HZ1      LYS  15   5.938   1.960   7.471
  123   2HZ   LYS  15           HZ2      LYS  15   7.443   2.513   8.039
  124   3HZ   LYS  15           HZ3      LYS  15   6.167   3.608   7.787
  125    H    SER  16           HN       SER  16   7.230  -0.034   1.813
  126    HA   SER  16           HA       SER  16   9.488   1.161   3.167
  127   1HB   SER  16           HB2      SER  16   9.089  -1.245   1.448
  128   2HB   SER  16           HB3      SER  16  10.644  -0.807   2.133
  129    HG   SER  16           HG       SER  16   8.512  -0.722   3.896
  130    H    LEU  17           HN       LEU  17   8.534   1.087  -0.268
  131    HA   LEU  17           HA       LEU  17  11.255   1.850  -1.048
  132   1HB   LEU  17           HB2      LEU  17  10.627   1.179  -3.162
  133   2HB   LEU  17           HB3      LEU  17   9.442   0.308  -2.196
  134    HG   LEU  17           HG       LEU  17   7.886   2.216  -2.525
  135   1HD1  LEU  17           HD12     LEU  17  10.157   3.467  -3.623
  136   2HD1  LEU  17           HD13     LEU  17   9.100   3.126  -5.002
  137   3HD1  LEU  17           HD11     LEU  17   8.501   4.077  -3.642
  138   1HD2  LEU  17           HD22     LEU  17   8.934   0.548  -4.800
  139   2HD2  LEU  17           HD23     LEU  17   7.566   0.234  -3.736
  140   3HD2  LEU  17           HD21     LEU  17   7.452   1.497  -4.962
  141    H    GLY  18           HN       GLY  18   8.093   3.434  -0.940
  142   1HA   GLY  18           HA1      GLY  18   8.393   5.880  -0.162
  143   2HA   GLY  18           HA2      GLY  18   9.516   6.001  -1.510
  144    H    ASN  19           HN       ASN  19   7.045   4.003  -2.426
  145    HA   ASN  19           HA       ASN  19   5.969   5.584  -4.505
  146   1HB   ASN  19           HB2      ASN  19   3.706   4.126  -3.293
  147   2HB   ASN  19           HB3      ASN  19   4.523   3.816  -4.755
  148   1HD2  ASN  19           HD22     ASN  19   5.830   0.899  -3.830
  149   2HD2  ASN  19           HD21     ASN  19   5.229   1.955  -4.997
  150    H    CYS  20           HN       CYS  20   4.584   4.811  -1.403
  151    HA   CYS  20           HA       CYS  20   2.691   5.862  -0.504
  152   1HB   CYS  20           HB2      CYS  20   5.077   6.270   0.745
  153   2HB   CYS  20           HB3      CYS  20   4.329   7.911   0.728
  154    H    ARG  21           HN       ARG  21   1.525   6.546  -2.011
  155    HA   ARG  21           HA       ARG  21  -0.079   8.151  -2.808
  156   1HB   ARG  21           HB2      ARG  21   1.393   9.531  -0.896
  157   2HB   ARG  21           HB3      ARG  21   1.328  10.559  -2.344
  158   1HG   ARG  21           HG2      ARG  21  -1.201   9.204  -1.739
  159   2HG   ARG  21           HG3      ARG  21  -0.706  10.323  -0.470
  160   1HD   ARG  21           HD2      ARG  21  -0.229  11.617  -2.963
  161   2HD   ARG  21           HD3      ARG  21  -1.860  10.947  -3.020
  162    HE   ARG  21           HE       ARG  21  -1.127  12.474  -0.592
  163   1HH1  ARG  21           HH22     ARG  21  -3.815  12.438  -0.515
  164   2HH1  ARG  21           HH21     ARG  21  -4.407  13.686  -1.560
  165   1HH2  ARG  21           HH12     ARG  21  -1.422  14.017  -3.293
  166   2HH2  ARG  21           HH11     ARG  21  -3.053  14.580  -3.133
  167    H    THR  22           HN       THR  22   2.698   7.455  -3.977
  168    HA   THR  22           HA       THR  22   2.648   9.394  -6.256
  169    HB   THR  22           HB       THR  22   4.984   8.978  -6.606
  170    HG1  THR  22           HG1      THR  22   5.533   6.986  -6.267
  171   1HG2  THR  22           HG23     THR  22   4.067   9.527  -3.845
  172   2HG2  THR  22           HG21     THR  22   5.775   9.124  -4.026
  173   3HG2  THR  22           HG22     THR  22   5.093  10.490  -4.909
  174    H    SER  23           HN       SER  23   1.423   6.495  -5.512
  175    HA   SER  23           HA       SER  23   1.652   5.550  -8.313
  176   1HB   SER  23           HB2      SER  23   2.451   4.059  -5.807
  177   2HB   SER  23           HB3      SER  23   1.688   3.153  -7.106
  178    HG   SER  23           HG       SER  23   3.315   4.077  -8.497
  179    H    GLN  24           HN       GLN  24  -0.407   4.675  -8.997
  180    HA   GLN  24           HA       GLN  24  -2.618   5.505  -7.371
  181   1HB   GLN  24           HB2      GLN  24  -2.498   3.654  -9.766
  182   2HB   GLN  24           HB3      GLN  24  -4.010   4.144  -9.002
  183   1HG   GLN  24           HG2      GLN  24  -3.804   6.353  -9.673
  184   2HG   GLN  24           HG3      GLN  24  -2.046   6.263  -9.788
  185   1HE2  GLN  24           HE22     GLN  24  -3.605   6.175 -13.243
  186   2HE2  GLN  24           HE21     GLN  24  -3.809   7.229 -11.928
  187    H    LYS  25           HN       LYS  25  -2.201   2.087  -8.387
  188    HA   LYS  25           HA       LYS  25  -3.716   0.975  -6.349
  189   1HB   LYS  25           HB2      LYS  25  -2.231  -0.091  -8.324
  190   2HB   LYS  25           HB3      LYS  25  -1.172  -0.451  -6.952
  191   1HG   LYS  25           HG2      LYS  25  -2.701  -1.834  -5.932
  192   2HG   LYS  25           HG3      LYS  25  -4.073  -0.945  -6.578
  193   1HD   LYS  25           HD2      LYS  25  -2.292  -2.586  -8.380
  194   2HD   LYS  25           HD3      LYS  25  -3.671  -3.295  -7.532
  195   1HE   LYS  25           HE2      LYS  25  -4.775  -2.654  -9.435
  196   2HE   LYS  25           HE3      LYS  25  -4.884  -1.127  -8.560
  197   1HZ   LYS  25           HZ3      LYS  25  -2.440  -1.516 -10.063
  198   2HZ   LYS  25           HZ1      LYS  25  -3.839  -1.386 -11.008
  199   3HZ   LYS  25           HZ2      LYS  25  -3.431  -0.141  -9.926
  200    H    TYR  26           HN       TYR  26  -0.153   0.993  -6.154
  201    HA   TYR  26           HA       TYR  26   0.316   0.382  -3.563
  202   1HB   TYR  26           HB2      TYR  26   1.548   2.510  -5.253
  203   2HB   TYR  26           HB3      TYR  26   2.139   2.183  -3.626
  204    HD1  TYR  26           HD1      TYR  26   1.335  -1.018  -3.930
  205    HD2  TYR  26           HD2      TYR  26   3.661   1.830  -6.190
  206    HE1  TYR  26           HE1      TYR  26   2.607  -2.778  -4.794
  207    HE2  TYR  26           HE2      TYR  26   5.002  -0.013  -7.095
  208    HH   TYR  26           HH       TYR  26   4.581  -2.592  -7.483
  209    H    ARG  27           HN       ARG  27  -0.378   3.855  -4.420
  210    HA   ARG  27           HA       ARG  27  -0.374   4.682  -1.767
  211   1HB   ARG  27           HB2      ARG  27  -1.227   6.710  -2.500
  212   2HB   ARG  27           HB3      ARG  27  -0.738   6.018  -4.049
  213   1HG   ARG  27           HG2      ARG  27  -2.974   5.223  -4.455
  214   2HG   ARG  27           HG3      ARG  27  -3.512   5.804  -2.861
  215   1HD   ARG  27           HD2      ARG  27  -2.558   7.455  -5.213
  216   2HD   ARG  27           HD3      ARG  27  -4.167   7.463  -4.487
  217    HE   ARG  27           HE       ARG  27  -1.821   8.867  -3.469
  218   1HH1  ARG  27           HH22     ARG  27  -3.148   6.925  -1.404
  219   2HH1  ARG  27           HH21     ARG  27  -4.160   8.046  -0.557
  220   1HH2  ARG  27           HH12     ARG  27  -3.859  10.535  -2.952
  221   2HH2  ARG  27           HH11     ARG  27  -4.562  10.090  -1.433
  222    H    ALA  28           HN       ALA  28  -3.178   3.543  -3.655
  223    HA   ALA  28           HA       ALA  28  -4.912   3.545  -1.289
  224   1HB   ALA  28           HB2      ALA  28  -5.309   3.490  -4.081
  225   2HB   ALA  28           HB3      ALA  28  -5.906   1.939  -3.490
  226   3HB   ALA  28           HB1      ALA  28  -6.557   3.442  -2.836
  227    H    ASN  29           HN       ASN  29  -4.355   0.865  -3.539
  228    HA   ASN  29           HA       ASN  29  -4.917  -1.320  -2.035
  229   1HB   ASN  29           HB2      ASN  29  -2.731  -0.855  -4.038
  230   2HB   ASN  29           HB3      ASN  29  -2.900  -2.426  -3.256
  231   1HD2  ASN  29           HD22     ASN  29  -6.365  -1.377  -5.142
  232   2HD2  ASN  29           HD21     ASN  29  -5.714  -0.356  -3.951
  233    H    CYS  30           HN       CYS  30  -2.150   0.752  -1.393
  234    HA   CYS  30           HA       CYS  30  -1.477  -1.073   0.880
  235   1HB   CYS  30           HB2      CYS  30   0.407   0.568  -0.879
  236   2HB   CYS  30           HB3      CYS  30   0.893  -0.493   0.465
  237    H    ALA  31           HN       ALA  31  -3.354   0.540   1.318
  238    HA   ALA  31           HA       ALA  31  -2.469   3.175   2.248
  239   1HB   ALA  31           HB3      ALA  31  -4.893   2.017   1.392
  240   2HB   ALA  31           HB1      ALA  31  -5.131   2.397   3.093
  241   3HB   ALA  31           HB2      ALA  31  -4.666   3.667   1.964
  242    H    LYS  32           HN       LYS  32  -2.558  -0.001   3.459
  243    HA   LYS  32           HA       LYS  32  -3.146   0.692   6.275
  244   1HB   LYS  32           HB2      LYS  32  -3.634  -1.510   6.338
  245   2HB   LYS  32           HB3      LYS  32  -3.063  -1.690   4.678
  246   1HG   LYS  32           HG2      LYS  32  -0.770  -1.951   5.454
  247   2HG   LYS  32           HG3      LYS  32  -1.286  -1.751   7.135
  248   1HD   LYS  32           HD2      LYS  32  -1.753  -3.950   7.243
  249   2HD   LYS  32           HD3      LYS  32  -2.791  -3.849   5.807
  250   1HE   LYS  32           HE2      LYS  32   0.190  -3.739   5.524
  251   2HE   LYS  32           HE3      LYS  32  -0.612  -5.305   5.608
  252   1HZ   LYS  32           HZ1      LYS  32  -1.362  -3.140   3.723
  253   2HZ   LYS  32           HZ2      LYS  32  -0.315  -4.418   3.333
  254   3HZ   LYS  32           HZ3      LYS  32  -1.942  -4.730   3.729
  255    H    THR  33           HN       THR  33  -0.581  -0.095   4.145
  256    HA   THR  33           HA       THR  33   1.683  -0.230   6.029
  257    HB   THR  33           HB       THR  33   1.672  -0.220   3.059
  258    HG1  THR  33           HG1      THR  33   1.191  -2.594   4.372
  259   1HG2  THR  33           HG21     THR  33   3.676  -0.656   4.839
  260   2HG2  THR  33           HG22     THR  33   3.042  -2.298   4.635
  261   3HG2  THR  33           HG23     THR  33   3.579  -1.373   3.229
  262    H    CYS  34           HN       CYS  34   0.521   1.920   3.476
  263    HA   CYS  34           HA       CYS  34   2.853   3.804   3.751
  264   1HB   CYS  34           HB2      CYS  34   1.342   2.658   1.742
  265   2HB   CYS  34           HB3      CYS  34   0.703   4.313   1.857
  266    H    GLU  35           HN       GLU  35  -0.301   3.324   5.017
  267    HA   GLU  35           HA       GLU  35  -1.688   4.616   6.271
  268   1HB   GLU  35           HB2      GLU  35   0.787   6.342   6.363
  269   2HB   GLU  35           HB3      GLU  35  -0.649   6.609   7.394
  270   1HG   GLU  35           HG2      GLU  35  -0.633   4.295   8.103
  271   2HG   GLU  35           HG3      GLU  35   0.790   3.972   7.121
  272    H    LEU  36           HN       LEU  36  -2.500   4.556   4.148
  273    HA   LEU  36           HA       LEU  36  -3.396   7.216   3.146
  274   1HB   LEU  36           HB2      LEU  36  -3.243   4.752   1.456
  275   2HB   LEU  36           HB3      LEU  36  -3.188   6.403   0.908
  276    HG   LEU  36           HG       LEU  36  -1.029   4.935   2.421
  277   1HD1  LEU  36           HD11     LEU  36  -1.393   5.961  -0.378
  278   2HD1  LEU  36           HD12     LEU  36   0.227   5.948   0.310
  279   3HD1  LEU  36           HD13     LEU  36  -0.680   4.444   0.166
  280   1HD2  LEU  36           HD21     LEU  36  -1.694   7.699   2.532
  281   2HD2  LEU  36           HD22     LEU  36  -0.253   6.912   3.178
  282   3HD2  LEU  36           HD23     LEU  36  -0.246   7.557   1.537
  283    H    CYS  37           HN       CYS  37  -4.237   4.400   4.816
  284    HA   CYS  37           HA       CYS  37  -6.719   3.721   3.573
  285   1HB   CYS  37           HB2      CYS  37  -6.544   2.143   5.173
  286   2HB   CYS  37           HB3      CYS  37  -5.311   3.080   6.018
   
  No H/Q in entry =         286