*HEADER   TOXIN                                   06-JUN-96   1BAH    
*TITLE    A TWO DISULFIDE DERIVATIVE OF CHARYBDOTOXIN WITH DISULFIDE  
*TITLE   2 13-33 REPLACED BY TWO ALPHA-AMINOBUTYRIC ACIDS, NMR,       
*TITLE   3 30 STRUCTURES                                              
*COMPND   MOL_ID: 1;                                                  
*COMPND  2 MOLECULE: CHARYBDOTOXIN;                                   
*COMPND  3 CHAIN: NULL;                                               
*COMPND  4 SYNONYM: CHABII;                                           
*COMPND  5 ENGINEERED: YES                                            
*SOURCE   MOL_ID: 1;                                                  
*SOURCE  2 SYNTHETIC: YES;                                            
*SOURCE  3 ORGANISM_SCIENTIFIC: LEIURUS QUINQUESTRIATUS;              
*SOURCE  4 ORGANISM_COMMON: SCORPION                                  
*KEYWDS   CHARYBDOTOXIN, NEUROTOXIN, POTASSIUM CHANNEL INHIBITOR,     
*KEYWDS  2 TOXIN                                                      
*EXPDTA   NMR, 30 STRUCTURES                                          
*AUTHOR   J.SONG,B.GILQUIN,N.JAMIN,M.GUENNEUGUES,M.DAUPLAIS,C.VITA,   
*AUTHOR  2 A.MENEZ                                                    
*REVDAT  1   11-JAN-97 1BAH    0                                      




assign (resid   2 and name HB2  ) (resid   2 and name HA   )  2.89  0.72  0.72
assign (resid   2 and name HB2  ) (resid   2 and name HB3  )  1.90  0.48  0.47
assign (resid   2 and name HB3  ) (resid   2 and name HA   )  2.72  0.68  0.68
assign (resid   2 and name HN   ) (resid   2 and name HA   )  3.17  0.79  0.79
assign (resid   2 and name HN   ) (resid   2 and name HB2  )  2.62  0.65  0.66
assign (resid   2 and name HN   ) (resid   2 and name HB3  )  2.95  0.74  0.74
assign (resid   3 and name HG1  ) (resid   3 and name HG2* )  5.16  3.36  1.29
assign (resid   3 and name HG2* ) (resid   3 and name HG1  )  3.57  1.77  0.89
assign (resid   3 and name HN   ) (resid   3 and name HA   )  3.43  0.86  0.86
assign (resid   3 and name HN   ) (resid   3 and name HG1  )  3.09  0.77  0.78
assign (resid   3 and name HN   ) (resid   3 and name HG2* )  3.38  1.58  0.84
assign (resid   4 and name HB2  ) (resid   4 and name HA   )  2.64  0.66  0.66
assign (resid   4 and name HB3  ) (resid   4 and name HA   )  2.65  0.66  0.67
assign (resid   4 and name HN   ) (resid   4 and name HA   )  3.16  0.79  0.79
assign (resid   4 and name HN   ) (resid   4 and name HB2  )  3.04  0.76  0.76
assign (resid   4 and name HN   ) (resid   4 and name HB3  )  2.93  0.73  0.73
assign (resid   5 and name HB   ) (resid   5 and name HA   )  3.10  0.78  0.77
assign (resid   5 and name HG*  ) (resid   5 and name HA   )  3.14  1.34  0.79
assign (resid   5 and name HG*  ) (resid   5 and name HB   )  2.92  1.12  0.73
assign (resid   5 and name HN   ) (resid   5 and name HA   )  2.87  0.72  0.71
assign (resid   5 and name HN   ) (resid   5 and name HB   )  2.60  0.65  0.65
assign (resid   5 and name HN   ) (resid   5 and name HG*  )  3.37  1.57  0.84
assign (resid   6 and name HB3  ) (resid   6 and name HA   )  2.59  0.64  0.65
assign (resid   6 and name HB2  ) (resid   6 and name HA   )  2.80  0.70  0.70
assign (resid   6 and name HN   ) (resid   6 and name HA   )  3.21  0.80  0.80
assign (resid   6 and name HN   ) (resid   6 and name HB3  )  2.77  0.69  0.69
assign (resid   7 and name HB3  ) (resid   7 and name HA   )  2.87  0.72  0.72
assign (resid   7 and name HB2  ) (resid   7 and name HA   )  2.63  0.66  0.65
assign (resid   7 and name HN   ) (resid   7 and name HA   )  3.22  0.80  0.81
assign (resid   7 and name HN   ) (resid   7 and name HB3  )  3.80  0.95  0.96
assign (resid   7 and name HN   ) (resid   7 and name HB2  )  4.42  1.10  1.11
assign (resid   8 and name HB   ) (resid   8 and name HA   )  3.27  0.81  0.82
assign (resid   8 and name HG2* ) (resid   8 and name HA   )  3.10  1.30  0.77
assign (resid   8 and name HG2* ) (resid   8 and name HB   )  2.69  0.89  0.67
assign (resid   8 and name HN   ) (resid   8 and name HA   )  3.10  0.78  0.77
assign (resid   8 and name HN   ) (resid   8 and name HB   )  3.23  0.80  0.81
assign (resid   8 and name HN   ) (resid   8 and name HG2* )  3.71  1.91  0.92
assign (resid   9 and name HB   ) (resid   9 and name HA   )  3.27  0.82  0.82
assign (resid   9 and name HG2* ) (resid   9 and name HA   )  2.97  1.17  0.75
assign (resid   9 and name HG2* ) (resid   9 and name HB   )  3.06  1.26  0.76
assign (resid   9 and name HN   ) (resid   9 and name HA   )  2.90  0.72  0.73
assign (resid   9 and name HN   ) (resid   9 and name HG2* )  3.33  1.53  0.83
assign (resid  10 and name HN   ) (resid  10 and name HA   )  2.47  0.62  0.62
assign (resid  10 and name HN   ) (resid  10 and name HB*  )  4.25  2.45  1.06
assign (resid  11 and name HB*  ) (resid  11 and name HA   )  2.73  0.93  0.68
assign (resid  11 and name HB*  ) (resid  11 and name HE*  )  4.35  2.55  1.08
assign (resid  11 and name HG*  ) (resid  11 and name HA   )  3.25  1.45  0.81
assign (resid  11 and name HG*  ) (resid  11 and name HD*  )  3.65  1.85  0.91
assign (resid  11 and name HN   ) (resid  11 and name HA   )  3.15  0.79  0.79
assign (resid  11 and name HN   ) (resid  11 and name HB*  )  2.96  1.16  0.74
assign (resid  11 and name HN   ) (resid  11 and name HG*  )  3.88  2.08  0.98
assign (resid  12 and name HB3  ) (resid  12 and name HA   )  2.84  0.71  0.71
assign (resid  12 and name HB2  ) (resid  12 and name HA   )  2.59  0.64  0.65
assign (resid  12 and name HG*  ) (resid  12 and name HA   )  2.98  1.18  0.75
assign (resid  12 and name HN   ) (resid  12 and name HA   )  2.51  0.62  0.63
assign (resid  12 and name HN   ) (resid  12 and name HB2  )  2.42  0.60  0.61
assign (resid  12 and name HN   ) (resid  12 and name HG*  )  3.19  1.39  0.80
assign (resid  13 and name HB*  ) (resid  13 and name HA   )  2.97  1.17  0.75
assign (resid  13 and name HG*  ) (resid  13 and name HA   )  3.39  1.59  0.85
assign (resid  13 and name HG*  ) (resid  13 and name HB*  )  3.12  1.32  0.78
assign (resid  13 and name HN   ) (resid  13 and name HA   )  2.91  0.72  0.73
assign (resid  13 and name HN   ) (resid  13 and name HB*  )  2.98  1.18  0.74
assign (resid  13 and name HN   ) (resid  13 and name HG*  )  3.45  1.65  0.86
assign (resid  14 and name HB*  ) (resid  14 and name HA   )  2.91  1.11  0.73
assign (resid  14 and name HD1  ) (resid  14 and name HA   )  2.77  0.69  0.69
assign (resid  14 and name HD1  ) (resid  14 and name HB*  )  3.10  1.30  0.78
assign (resid  14 and name HE1  ) (resid  14 and name HA   )  3.69  0.92  0.92
assign (resid  14 and name HE1  ) (resid  14 and name HD1  )  2.53  0.63  0.64
assign (resid  14 and name HE1  ) (resid  14 and name HZ2  )  2.87  0.72  0.72
assign (resid  14 and name HZ3  ) (resid  14 and name HE3  )  2.47  0.62  0.61
assign (resid  14 and name HZ3  ) (resid  14 and name HH2  )  1.97  0.49  0.50
assign (resid  14 and name HH2  ) (resid  14 and name HZ2  )  2.27  0.57  0.57
assign (resid  14 and name HN   ) (resid  14 and name HA   )  2.95  0.73  0.74
assign (resid  14 and name HN   ) (resid  14 and name HB*  )  2.83  1.03  0.70
assign (resid  15 and name HB2  ) (resid  15 and name HA   )  2.85  0.72  0.71
assign (resid  15 and name HB2  ) (resid  15 and name HB3  )  2.23  0.56  0.56
assign (resid  15 and name HB3  ) (resid  15 and name HA   )  2.52  0.63  0.63
assign (resid  15 and name HN   ) (resid  15 and name HA   )  3.60  0.90  0.89
assign (resid  15 and name HN   ) (resid  15 and name HB2  )  3.52  0.88  0.88
assign (resid  16 and name HB   ) (resid  16 and name HA   )  3.34  0.84  0.83
assign (resid  16 and name HG*  ) (resid  16 and name HA   )  3.17  1.37  0.79
assign (resid  16 and name HG*  ) (resid  16 and name HB   )  2.96  1.16  0.74
assign (resid  16 and name HN   ) (resid  16 and name HA   )  2.75  0.69  0.69
assign (resid  16 and name HN   ) (resid  16 and name HB   )  2.64  0.66  0.66
assign (resid  16 and name HN   ) (resid  16 and name HG*  )  3.39  1.59  0.84
assign (resid  17 and name HB2  ) (resid  17 and name HA   )  2.92  0.73  0.73
assign (resid  17 and name HB2  ) (resid  17 and name HB3  )  1.90  0.48  0.47
assign (resid  17 and name HB3  ) (resid  17 and name HA   )  2.85  0.71  0.72
assign (resid  17 and name HN   ) (resid  17 and name HA   )  3.20  0.80  0.80
assign (resid  17 and name HN   ) (resid  17 and name HB2  )  2.84  0.71  0.71
assign (resid  17 and name HN   ) (resid  17 and name HB3  )  3.21  0.80  0.80
assign (resid  18 and name HB*  ) (resid  18 and name HA   )  2.89  1.09  0.72
assign (resid  18 and name HG*  ) (resid  18 and name HA   )  3.12  1.32  0.78
assign (resid  18 and name HN   ) (resid  18 and name HA   )  2.97  0.74  0.74
assign (resid  18 and name HN   ) (resid  18 and name HB*  )  2.66  0.86  0.67
assign (resid  18 and name HN   ) (resid  18 and name HG*  )  3.39  1.59  0.84
assign (resid  19 and name HB*  ) (resid  19 and name HA   )  2.70  0.90  0.67
assign (resid  19 and name HB*  ) (resid  19 and name HE   )  3.15  1.35  0.79
assign (resid  19 and name HG*  ) (resid  19 and name HE   )  3.10  1.30  0.77
assign (resid  19 and name HD*  ) (resid  19 and name HA   )  3.33  1.53  0.83
assign (resid  19 and name HD*  ) (resid  19 and name HE   )  3.30  1.50  0.82
assign (resid  19 and name HN   ) (resid  19 and name HA   )  2.83  0.71  0.70
assign (resid  19 and name HN   ) (resid  19 and name HG*  )  3.00  1.20  0.75
assign (resid  20 and name HB*  ) (resid  20 and name HA   )  2.73  0.93  0.69
assign (resid  20 and name HG   ) (resid  20 and name HA   )  3.16  0.79  0.79
assign (resid  20 and name HG   ) (resid  20 and name HB*  )  2.42  0.62  0.60
assign (resid  20 and name HD*  ) (resid  20 and name HA   )  3.28  1.48  0.81
assign (resid  20 and name HD*  ) (resid  20 and name HB*  )  3.40  1.60  0.85
assign (resid  20 and name HN   ) (resid  20 and name HA   )  2.90  0.73  0.72
assign (resid  20 and name HN   ) (resid  20 and name HB*  )  2.77  0.97  0.69
assign (resid  20 and name HN   ) (resid  20 and name HG   )  3.39  0.85  0.85
assign (resid  20 and name HN   ) (resid  20 and name HD*  )  4.38  2.58  1.10
assign (resid  21 and name HB*  ) (resid  21 and name HA   )  3.00  1.20  0.75
assign (resid  21 and name HB2  ) (resid  21 and name HB3  )  2.24  0.56  0.56
assign (resid  21 and name HD2  ) (resid  21 and name HB*  )  3.44  1.64  0.87
assign (resid  21 and name HN   ) (resid  21 and name HB*  )  3.06  1.26  0.77
assign (resid  21 and name HN   ) (resid  21 and name HD1  )  4.17  1.04  1.04
assign (resid  22 and name HB2  ) (resid  22 and name HA   )  3.07  0.76  0.77
assign (resid  22 and name HB3  ) (resid  22 and name HA   )  2.77  0.69  0.69
assign (resid  22 and name HN   ) (resid  22 and name HA   )  2.52  0.63  0.63
assign (resid  23 and name HB   ) (resid  23 and name HA   )  2.97  0.74  0.74
assign (resid  23 and name HB   ) (resid  23 and name HG1  )  4.06  2.01  1.02
assign (resid  23 and name HG2* ) (resid  23 and name HA   )  3.71  1.91  0.93
assign (resid  23 and name HG2* ) (resid  23 and name HB   )  3.16  1.36  0.79
assign (resid  23 and name HG2* ) (resid  23 and name HG1  )  4.72  2.92  1.19
assign (resid  23 and name HN   ) (resid  23 and name HA   )  3.48  0.87  0.87
assign (resid  23 and name HN   ) (resid  23 and name HB   )  3.32  0.83  0.84
assign (resid  23 and name HN   ) (resid  23 and name HG2* )  3.32  1.52  0.84
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   )  4.08  2.28  1.02
assign (resid  24 and name HN   ) (resid  24 and name HA   )  3.09  0.77  0.77
assign (resid  24 and name HN   ) (resid  24 and name HB*  )  3.01  1.21  0.75
assign (resid  24 and name HN   ) (resid  24 and name HG   )  4.50  1.13  1.12
assign (resid  25 and name HB*  ) (resid  25 and name HA   )  3.69  1.89  0.93
assign (resid  25 and name HG*  ) (resid  25 and name HA   )  3.32  1.52  0.83
assign (resid  25 and name HG*  ) (resid  25 and name HE   )  3.34  1.54  0.84
assign (resid  25 and name HD*  ) (resid  25 and name HA   )  3.08  1.28  0.77
assign (resid  25 and name HD*  ) (resid  25 and name HE   )  2.59  0.79  0.65
assign (resid  25 and name HN   ) (resid  25 and name HA   )  3.08  0.77  0.77
assign (resid  25 and name HN   ) (resid  25 and name HB*  )  3.13  1.33  0.78
assign (resid  25 and name HN   ) (resid  25 and name HG*  )  4.02  2.22  1.00
assign (resid  25 and name HN   ) (resid  25 and name HD*  )  3.36  1.56  0.84
assign (resid  26 and name HA1  ) (resid  26 and name HA2  )  2.66  0.86  0.67
assign (resid  26 and name HN   ) (resid  26 and name HA*  )  3.71  1.91  0.92
assign (resid  27 and name HB*  ) (resid  27 and name HA   )  3.38  1.58  0.85
assign (resid  27 and name HG*  ) (resid  27 and name HA   )  3.51  1.71  0.87
assign (resid  27 and name HG*  ) (resid  27 and name HE*  )  3.66  1.86  0.91
assign (resid  27 and name HD*  ) (resid  27 and name HE*  )  3.39  1.59  0.85
assign (resid  27 and name HN   ) (resid  27 and name HA   )  3.31  0.83  0.83
assign (resid  27 and name HN   ) (resid  27 and name HB*  )  3.16  1.36  0.79
assign (resid  27 and name HN   ) (resid  27 and name HG*  )  3.89  2.09  0.97
assign (resid  27 and name HN   ) (resid  27 and name HD*  )  5.33  3.53  1.33
assign (resid  28 and name HB2  ) (resid  28 and name HB3  )  2.11  0.53  0.53
assign (resid  28 and name HB3  ) (resid  28 and name HA   )  2.65  0.66  0.66
assign (resid  28 and name HN   ) (resid  28 and name HA   )  3.46  0.86  0.87
assign (resid  28 and name HN   ) (resid  28 and name HB3  )  2.87  0.72  0.71
assign (resid  29 and name HB3  ) (resid  29 and name HA   )  2.78  0.70  0.69
assign (resid  29 and name HB3  ) (resid  29 and name HB2  )  1.95  0.49  0.48
assign (resid  29 and name HB3  ) (resid  29 and name HG*  )  2.75  0.95  0.69
assign (resid  29 and name HB2  ) (resid  29 and name HA   )  2.81  0.70  0.71
assign (resid  29 and name HB2  ) (resid  29 and name HG*  )  2.37  0.57  0.60
assign (resid  29 and name HG*  ) (resid  29 and name HA   )  2.92  1.12  0.73
assign (resid  29 and name HN   ) (resid  29 and name HA   )  3.39  0.85  0.84
assign (resid  29 and name HN   ) (resid  29 and name HB3  )  2.90  0.73  0.72
assign (resid  29 and name HN   ) (resid  29 and name HB2  )  3.22  0.81  0.80
assign (resid  30 and name HB3  ) (resid  30 and name HA   )  2.80  0.70  0.69
assign (resid  30 and name HB3  ) (resid  30 and name HB2  )  1.74  0.43  0.44
assign (resid  30 and name HB2  ) (resid  30 and name HA   )  2.57  0.64  0.64
assign (resid  30 and name HN   ) (resid  30 and name HA   )  2.76  0.69  0.69
assign (resid  30 and name HN   ) (resid  30 and name HB3  )  3.69  0.92  0.92
assign (resid  30 and name HN   ) (resid  30 and name HB2  )  3.76  0.94  0.94
assign (resid  31 and name HB2  ) (resid  31 and name HA   )  2.82  0.71  0.70
assign (resid  31 and name HB3  ) (resid  31 and name HA   )  2.65  0.66  0.67
assign (resid  31 and name HG*  ) (resid  31 and name HA   )  2.92  1.12  0.74
assign (resid  31 and name HG*  ) (resid  31 and name HE*  )  3.18  1.38  0.80
assign (resid  31 and name HD*  ) (resid  31 and name HA   )  3.92  2.12  0.98
assign (resid  31 and name HN   ) (resid  31 and name HA   )  2.38  0.59  0.60
assign (resid  31 and name HN   ) (resid  31 and name HB2  )  3.36  0.84  0.84
assign (resid  31 and name HN   ) (resid  31 and name HB3  )  2.95  0.74  0.73
assign (resid  31 and name HN   ) (resid  31 and name HG*  )  3.07  1.27  0.77
assign (resid  31 and name HN   ) (resid  31 and name HD*  )  3.88  2.08  0.97
assign (resid  32 and name HB2  ) (resid  32 and name HA   )  2.71  0.68  0.68
assign (resid  32 and name HB3  ) (resid  32 and name HA   )  2.93  0.73  0.74
assign (resid  32 and name HG*  ) (resid  32 and name HA   )  3.34  1.54  0.83
assign (resid  32 and name HD*  ) (resid  32 and name HA   )  3.67  1.87  0.92
assign (resid  32 and name HN   ) (resid  32 and name HA   )  2.97  0.74  0.75
assign (resid  32 and name HN   ) (resid  32 and name HG*  )  3.84  2.04  0.96
assign (resid  32 and name HN   ) (resid  32 and name HD*  )  3.93  2.13  0.99
assign (resid  33 and name HB*  ) (resid  33 and name HA   )  3.18  1.38  0.79
assign (resid  33 and name HG*  ) (resid  33 and name HA   )  3.40  1.60  0.86
assign (resid  33 and name HG*  ) (resid  33 and name HB*  )  3.23  1.43  0.80
assign (resid  33 and name HN   ) (resid  33 and name HA   )  3.13  0.79  0.78
assign (resid  33 and name HN   ) (resid  33 and name HB*  )  2.70  0.90  0.67
assign (resid  33 and name HN   ) (resid  33 and name HG*  )  3.74  1.94  0.94
assign (resid  34 and name HB*  ) (resid  34 and name HA   )  3.01  1.21  0.75
assign (resid  34 and name HG*  ) (resid  34 and name HA   )  5.02  3.22  1.25
assign (resid  34 and name HD*  ) (resid  34 and name HA   )  4.72  2.92  1.18
assign (resid  34 and name HN   ) (resid  34 and name HA   )  2.87  0.72  0.72
assign (resid  34 and name HN   ) (resid  34 and name HB*  )  2.91  1.11  0.73
assign (resid  35 and name HB3  ) (resid  35 and name HA   )  2.94  0.74  0.73
assign (resid  35 and name HB3  ) (resid  35 and name HB2  )  2.22  0.55  0.56
assign (resid  35 and name HB2  ) (resid  35 and name HA   )  2.91  0.73  0.73
assign (resid  35 and name HN   ) (resid  35 and name HA   )  3.48  0.87  0.87
assign (resid  35 and name HN   ) (resid  35 and name HB3  )  3.11  0.78  0.78
assign (resid  35 and name HN   ) (resid  35 and name HB2  )  3.36  0.84  0.84
assign (resid  36 and name HB2  ) (resid  36 and name HA   )  2.77  0.70  0.69
assign (resid  36 and name HB2  ) (resid  36 and name HB3  )  2.09  0.52  0.53
assign (resid  36 and name HB3  ) (resid  36 and name HA   )  2.65  0.66  0.66
assign (resid  36 and name HD*  ) (resid  36 and name HA   )  2.99  1.19  0.74
assign (resid  36 and name HD*  ) (resid  36 and name HB2  )  2.84  1.04  0.72
assign (resid  36 and name HD*  ) (resid  36 and name HB3  )  2.81  1.01  0.71
assign (resid  36 and name HE*  ) (resid  36 and name HB3  )  4.12  2.32  1.03
assign (resid  36 and name HE*  ) (resid  36 and name HD*  )  3.12  1.32  0.79
assign (resid  36 and name HN   ) (resid  36 and name HA   )  3.21  0.80  0.80
assign (resid  36 and name HN   ) (resid  36 and name HB2  )  3.17  0.79  0.79
assign (resid  36 and name HN   ) (resid  36 and name HB3  )  3.44  0.86  0.86
assign (resid  36 and name HN   ) (resid  36 and name HD*  )  3.55  1.75  0.89
assign (resid  37 and name HB*  ) (resid  37 and name HA   )  2.94  1.14  0.73
assign (resid  37 and name HN   ) (resid  37 and name HA   )  2.84  0.71  0.71
assign (resid  37 and name HN   ) (resid  37 and name HB*  )  3.06  1.26  0.77
assign (resid   3 and name HN   ) (resid   2 and name HA   )  2.52  0.63  0.63
assign (resid   3 and name HN   ) (resid   2 and name HB2  )  3.75  0.93  0.94
assign (resid   3 and name HN   ) (resid   2 and name HB3  )  3.50  0.87  0.88
assign (resid   4 and name HN   ) (resid   3 and name HA   )  2.69  0.68  0.67
assign (resid   4 and name HN   ) (resid   3 and name HB   )  2.59  0.65  0.65
assign (resid   4 and name HN   ) (resid   3 and name HG1  )  4.08  1.02  1.02
assign (resid   4 and name HN   ) (resid   3 and name HG2* )  4.03  2.23  1.01
assign (resid   4 and name HN   ) (resid   3 and name HN   )  4.47  1.12  1.12
assign (resid   5 and name HN   ) (resid   4 and name HA   )  3.34  0.84  0.83
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assign (resid   7 and name HN   ) (resid   6 and name HA   )  2.37  0.60  0.59
assign (resid   7 and name HN   ) (resid   6 and name HB3  )  3.12  0.78  0.79
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assign (resid   8 and name HN   ) (resid   7 and name HB3  )  3.20  0.80  0.80
assign (resid   8 and name HN   ) (resid   7 and name HB2  )  3.00  0.75  0.75
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assign (resid  10 and name HN   ) (resid   9 and name HB   )  3.35  0.84  0.84
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assign (resid  19 and name HN   ) (resid  18 and name HA   )  3.32  0.83  0.83
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assign (resid  20 and name HN   ) (resid  19 and name HB*  )  3.79  1.99  0.94
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assign (resid  20 and name HN   ) (resid  19 and name HN   )  3.33  0.83  0.83
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assign (resid  21 and name HN   ) (resid  20 and name HG   )  3.54  0.89  0.88
assign (resid  21 and name HD2  ) (resid  20 and name HD*  )  4.90  3.10  1.22
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assign (resid  20 and name HN   ) (resid  21 and name HN   )  3.03  0.76  0.75
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assign (resid  28 and name HN   ) (resid  27 and name HD*  )  6.91  5.11  1.72
assign (resid  27 and name HN   ) (resid  28 and name HN   )  4.25  1.06  1.06
assign (resid  29 and name HN   ) (resid  28 and name HA   )  2.65  0.66  0.66
assign (resid  29 and name HN   ) (resid  28 and name HB2  )  3.12  0.78  0.78
assign (resid  29 and name HN   ) (resid  28 and name HB3  )  3.91  0.98  0.98
assign (resid  30 and name HN   ) (resid  29 and name HA   )  2.74  0.68  0.69
assign (resid  30 and name HN   ) (resid  29 and name HB3  )  4.36  2.50  1.09
assign (resid  30 and name HN   ) (resid  29 and name HB2  )  3.78  0.94  0.95
assign (resid  30 and name HN   ) (resid  29 and name HG*  )  4.80  3.00  1.21
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assign (resid  31 and name HN   ) (resid  30 and name HA   )  2.73  0.68  0.68
assign (resid  30 and name HN   ) (resid  31 and name HN   )  3.49  0.87  0.87
assign (resid  32 and name HN   ) (resid  31 and name HA   )  3.05  0.76  0.77
assign (resid  32 and name HN   ) (resid  31 and name HB2  )  3.99  1.00  1.00
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assign (resid  32 and name HN   ) (resid  31 and name HG*  )  4.38  2.58  1.09
assign (resid  31 and name HN   ) (resid  32 and name HA   )  4.07  1.02  1.01
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assign (resid  36 and name HN   ) (resid  35 and name HA   )  2.63  0.66  0.66
assign (resid  36 and name HN   ) (resid  35 and name HB3  )  3.67  0.92  0.92
assign (resid  36 and name HN   ) (resid  35 and name HB2  )  3.29  0.82  0.82
assign (resid  35 and name HN   ) (resid  36 and name HB2  )  4.09  1.02  1.02
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assign (resid  37 and name HN   ) (resid  36 and name HD*  )  4.10  2.30  1.02
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assign (resid   5 and name HN   ) (resid   3 and name HB   )  2.84  0.71  0.71
assign (resid   5 and name HB   ) (resid   3 and name HG1  )  3.68  0.92  0.92
assign (resid   5 and name HN   ) (resid   3 and name HG1  )  3.23  0.81  0.81
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assign (resid  33 and name HN   ) (resid   3 and name HG1  )  3.54  0.88  0.89
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assign (resid   3 and name HN   ) (resid  34 and name HA   )  3.25  0.81  0.81
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assign (resid  32 and name HD*  ) (resid   4 and name HA   )  3.63  1.83  0.91
assign (resid  33 and name HG*  ) (resid   5 and name HB   )  4.13  2.33  1.03
assign (resid  33 and name HN   ) (resid   5 and name HB   )  3.56  0.89  0.89
assign (resid  33 and name HN   ) (resid   5 and name HG*  )  3.98  2.18  1.00
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assign (resid  33 and name HN   ) (resid   6 and name HA   )  3.88  0.97  0.96
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assign (resid   7 and name HN   ) (resid  31 and name HB3  )  3.79  0.95  0.95
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assign (resid   8 and name HN   ) (resid  12 and name HB2  )  3.76  0.94  0.95
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assign (resid  23 and name HG2* ) (resid  25 and name HE   )  3.22  1.42  0.81
assign (resid  25 and name HN   ) (resid  23 and name HG2* )  3.96  2.16  0.99
assign (resid  23 and name HG2* ) (resid  35 and name HA   )  4.71  2.91  1.18
assign (resid  36 and name HN   ) (resid  23 and name HG2* )  4.31  2.51  1.07
assign (resid  24 and name HN   ) (resid  26 and name HN   )  4.58  1.14  1.15
assign (resid  26 and name HA*  ) (resid  35 and name HA   )  3.65  1.85  0.91
assign (resid  36 and name HE*  ) (resid  26 and name HA*  )  5.64  3.84  1.41
assign (resid  36 and name HN   ) (resid  26 and name HA*  )  4.21  2.41  1.05
assign (resid  36 and name HD*  ) (resid  26 and name HA*  )  4.22  2.42  1.06
assign (resid  26 and name HN   ) (resid  35 and name HA   )  5.14  1.29  1.28
assign (resid  26 and name HN   ) (resid  36 and name HB3  )  3.99  1.00  0.99
assign (resid  26 and name HN   ) (resid  36 and name HD*  )  5.16  3.36  1.29
assign (resid  26 and name HN   ) (resid  36 and name HE*  )  5.50  3.70  1.37
assign (resid  36 and name HD*  ) (resid  27 and name HB*  )  4.06  2.26  1.02
assign (resid  36 and name HE*  ) (resid  27 and name HB*  )  3.46  1.66  0.86
assign (resid  36 and name HD*  ) (resid  27 and name HG*  )  4.11  2.31  1.03
assign (resid  36 and name HE*  ) (resid  27 and name HG*  )  3.78  1.98  0.95
assign (resid  36 and name HE*  ) (resid  27 and name HD*  )  3.99  2.19  1.00
assign (resid  27 and name HN   ) (resid  33 and name HG*  )  5.02  3.22  1.25
assign (resid  27 and name HN   ) (resid  34 and name HN   )  3.30  0.83  0.82
assign (resid  27 and name HN   ) (resid  35 and name HA   )  3.73  0.93  0.93
assign (resid  27 and name HN   ) (resid  36 and name HD*  )  4.17  2.37  1.04
assign (resid  27 and name HN   ) (resid  36 and name HE*  )  3.93  2.13  0.98
assign (resid  32 and name HN   ) (resid  28 and name HA   )  3.92  0.98  0.98
assign (resid  33 and name HA   ) (resid  28 and name HA   )  3.86  0.97  0.96
assign (resid  33 and name HG*  ) (resid  28 and name HA   )  4.69  2.89  1.17
assign (resid  34 and name HN   ) (resid  28 and name HA   )  3.82  0.95  0.96
assign (resid  34 and name HN   ) (resid  28 and name HB2  )  4.10  1.03  1.02
assign (resid  31 and name HN   ) (resid  29 and name HA   )  3.95  0.99  0.98
assign (resid  36 and name HE*  ) (resid  29 and name HB2  )  5.25  3.45  1.31
assign (resid  36 and name HE*  ) (resid  29 and name HG*  )  5.88  4.08  1.47
assign (resid  29 and name HN   ) (resid  31 and name HN   )  3.16  0.79  0.79
assign (resid  29 and name HN   ) (resid  32 and name HN   )  3.20  0.80  0.80
assign (resid  29 and name HN   ) (resid  33 and name HA   )  3.56  0.89  0.89
assign (resid  32 and name HN   ) (resid  30 and name HA   )  4.44  1.11  1.11
assign (resid   7 and name SG   ) (resid  28 and name SG   )  2.10  0.10  0.00
assign (resid   7 and name SG   ) (resid  28 and name CB   )  3.10  0.10  0.00
assign (resid   7 and name CB   ) (resid  28 and name SG   )  3.10  0.10  0.00
assign (resid  17 and name SG   ) (resid  35 and name SG   )  2.10  0.10  0.00
assign (resid  17 and name SG   ) (resid  35 and name CB   )  3.10  0.10  0.00
assign (resid  17 and name CB   ) (resid  35 and name SG   )  3.10  0.10  0.00


--------------------------------------------------------------------------------



assign (resid 12 and name HN  or resid 14 and name HE* or resid 19 and name HN)     ! depl ch. = 7.56 peak 412 
       (resid 13 and name HG* or resid 16 and name HG1*)                              ! depl ch. = 0.93 
       4.45  2.65  1.11 
assign (resid 19 and name HN)                               ! depl ch. = 7.55   peak 413  
       (resid 16 and name HG2* or resid 23 and name HG*)    ! depl ch. = 1.10
       4.45  2.65  1.11 
assign (resid 24 and name HA  or resid 22 and name HA )     ! depl ch. = 4.73   peak 478
       (resid 14 and name HB* or resid 21 and name HB3)     ! depl ch. = 3.46
       3.16  1.36  0.79 
assign (resid 28 and name HA  or resid  7 and name HA )     ! depl ch. = 4.89
       (resid 28 and name HB2 or resid 12 and name HG*)     ! depl ch. = 2.45   peak 320
       3.52  0.88  0.88
assign (resid  3 and name HG1)                              ! depl ch. = 5.98
       (resid 34 and name HB3 or resid 33 and name HB3)     ! depl ch. = 1.76   peak 246
       3.20  1.40  0.80 
assign (resid  3 and name HG1)                              ! depl ch. = 5.98
       (resid 34 and name HB2 or resid 33 and name HB2)     ! depl ch. = 1.64   peak 247
       3.20  1.40  0.80
assign (resid 35 and name HA)                               ! depl ch. = 5.49
       (resid 36 and name HB3 or resid 17 and name HB3)     ! depl ch. = 3.09   peak 257
       4.02  1.00  1.01  
assign (resid 33 and name HN  or resid 35 and name HN  )    ! depl ch. = 8.64
       (resid 32 and name HG* or resid  3 and name HG2*)    ! depl ch. = 1.28   peak 409
       4.06  2.26  1.02 
assign (resid 14 and name HE1)                              ! depl ch. = 10.18
       (resid 14 and name HN or resid 25 and name HN)       ! depl ch. = 7.96   peak 430
       4.37  1.09  1.09 
assign (resid 22 and name HN  or resid 25 and name HN )     ! depl ch. = 7.94   peak 547 
       (resid 17 and name HB3 or resid 36 and name HB3)     ! depl ch. = 3.08
       3.76  0.94  0.94


--------------------------------------------------------------------------------



remarks *** Fichier de contraintes sur les angles PHI et CHI1

assign (resid   1 and name C   )
       (resid   2 and name N   )
       (resid   2 and name CA  )
       (resid   2 and name C   ) 50.0  -120.0  35.0  2
assign (resid   2 and name C   )
       (resid   3 and name N   )
       (resid   3 and name CA  )
       (resid   3 and name C   ) 50.0  -120.0  25.0  2
assign (resid   4 and name C   )
       (resid   5 and name N   )
       (resid   5 and name CA  )
       (resid   5 and name C   ) 50.0  -120.0  45.0  2
assign (resid   5 and name C   )
       (resid   6 and name N   )
       (resid   6 and name CA  )
       (resid   6 and name C   ) 50.0  -120.0  25.0  2
assign (resid   6 and name C   )
       (resid   7 and name N   )
       (resid   7 and name CA  )
       (resid   7 and name C   ) 50.0  -120.0  35.0  2
assign (resid   7 and name C   )
       (resid   8 and name N   )
       (resid   8 and name CA  )
       (resid   8 and name C   ) 50.0  -120.0  35.0  2
assign (resid   8 and name C   )
       (resid   9 and name N   )
       (resid   9 and name CA  )
       (resid   9 and name C   ) 50.0  -120.0  25.0  2
assign (resid   9 and name C   )
       (resid  10 and name N   )
       (resid  10 and name CA  )
       (resid  10 and name C   ) 50.0   -65.0  25.0  2
assign (resid  11 and name C   )
       (resid  12 and name N   )
       (resid  12 and name CA  )
       (resid  12 and name C   ) 50.0   -65.0  25.0  2
assign (resid  12 and name C   )
       (resid  13 and name N   )
       (resid  13 and name CA  )
       (resid  13 and name C   ) 50.0  -120.0  25.0  2
assign (resid  13 and name C   )
       (resid  14 and name N   )
       (resid  14 and name CA  )
       (resid  14 and name C   ) 50.0   -65.0  25.0  2
assign (resid  14 and name C   )
       (resid  15 and name N   )
       (resid  15 and name CA  )
       (resid  15 and name C   ) 50.0   -65.0  25.0  2
assign (resid  15 and name C   )
       (resid  16 and name N   )
       (resid  16 and name CA  )
       (resid  16 and name C   ) 50.0  -120.0  25.0  2
assign (resid  16 and name C   )
       (resid  17 and name N   )
       (resid  17 and name CA  )
       (resid  17 and name C   ) 50.0   -65.0  25.0  2
assign (resid  17 and name C   )
       (resid  18 and name N   )
       (resid  18 and name CA  )
       (resid  18 and name C   ) 50.0   -65.0  25.0  2
assign (resid  18 and name C   )
       (resid  19 and name N   )
       (resid  19 and name CA  )
       (resid  19 and name C   ) 50.0   -65.0  25.0  2
assign (resid  19 and name C   )
       (resid  20 and name N   )
       (resid  20 and name CA  )
       (resid  20 and name C   ) 50.0   -65.0  25.0  2
assign (resid  20 and name C   )
       (resid  21 and name N   )
       (resid  21 and name CA  )
       (resid  21 and name C   ) 50.0  -120.0  25.0  2
assign (resid  22 and name C   )
       (resid  23 and name N   )
       (resid  23 and name CA  )
       (resid  23 and name C   ) 50.0  -120.0  25.0  2
assign (resid  23 and name C   )
       (resid  24 and name N   )
       (resid  24 and name CA  )
       (resid  24 and name C   ) 50.0  -120.0  25.0  2
assign (resid  24 and name C   )
       (resid  25 and name N   )
       (resid  25 and name CA  )
       (resid  25 and name C   ) 50.0  -120.0  25.0  2
assign (resid  26 and name C   )
       (resid  27 and name N   )
       (resid  27 and name CA  )
       (resid  27 and name C   ) 50.0  -120.0  25.0  2
assign (resid  27 and name C   )
       (resid  28 and name N   )
       (resid  28 and name CA  )
       (resid  28 and name C   ) 50.0  -120.0  35.0  2
assign (resid  28 and name C   )
       (resid  29 and name N   )
       (resid  29 and name CA  )
       (resid  29 and name C   ) 50.0  -120.0  25.0  2
assign (resid  29 and name C   )
       (resid  30 and name N   )
       (resid  30 and name CA  )
       (resid  30 and name C   ) 50.0  -120.0  35.0  2
assign (resid  30 and name C   )
       (resid  31 and name N   )
       (resid  31 and name CA  )
       (resid  31 and name C   ) 50.0  -120.0  25.0  2
assign (resid  31 and name C   )
       (resid  32 and name N   )
       (resid  32 and name CA  )
       (resid  32 and name C   ) 50.0  -120.0  25.0  2
assign (resid  33 and name C   )
       (resid  34 and name N   )
       (resid  34 and name CA  )
       (resid  34 and name C   ) 50.0  -120.0  25.0  2
assign (resid  34 and name C   )
       (resid  35 and name N   )
       (resid  35 and name CA  )
       (resid  35 and name C   ) 50.0  -120.0  25.0  2
assign (resid  35 and name C   )
       (resid  36 and name N   )
       (resid  36 and name CA  )
       (resid  36 and name C   ) 50.0  -120.0  25.0  2
assign (resid   2 and name N   )
       (resid   2 and name CA  )
       (resid   2 and name CB  )
       (resid   2 and name CG  ) 50.0   -60.0  45.0  2
assign (resid   4 and name N   )
       (resid   4 and name CA  )
       (resid   4 and name CB  )
       (resid   4 and name CG  ) 50.0    60.0  45.0  2
assign (resid   5 and name N   )
       (resid   5 and name CA  )
       (resid   5 and name CB  )
       (resid   5 and name CG1 ) 50.0   180.0  45.0  2
assign (resid   6 and name N   )
       (resid   6 and name CA  )
       (resid   6 and name CB  )
       (resid   6 and name OG  ) 50.0    60.0  45.0  2
assign (resid   8 and name N   )
       (resid   8 and name CA  )
       (resid   8 and name CB  )
       (resid   8 and name OG1 ) 50.0    60.0  45.0  2
assign (resid   9 and name N   )
       (resid   9 and name CA  )
       (resid   9 and name CB  )
       (resid   9 and name OG1 ) 50.0    60.0  45.0  2
assign (resid  12 and name N   )
       (resid  12 and name CA  )
       (resid  12 and name CB  )
       (resid  12 and name CG  ) 50.0   180.0  45.0  2
assign (resid  15 and name N   )
       (resid  15 and name CA  )
       (resid  15 and name CB  )
       (resid  15 and name OG  ) 50.0    60.0  45.0  2
assign (resid  16 and name N   )
       (resid  16 and name CA  )
       (resid  16 and name CB  )
       (resid  16 and name CG1 ) 50.0   180.0  45.0  2
assign (resid  17 and name N   )
       (resid  17 and name CA  )
       (resid  17 and name CB  )
       (resid  17 and name SG  ) 50.0   -60.0  45.0  2
assign (resid  22 and name N   )
       (resid  22 and name CA  )
       (resid  22 and name CB  )
       (resid  22 and name CG  ) 50.0    60.0  45.0  2
assign (resid  28 and name N   )
       (resid  28 and name CA  )
       (resid  28 and name CB  )
       (resid  28 and name SG  ) 50.0    60.0  45.0  2
assign (resid  29 and name N   )
       (resid  29 and name CA  )
       (resid  29 and name CB  )
       (resid  29 and name CG  ) 50.0   180.0  45.0  2
assign (resid  30 and name N   )
       (resid  30 and name CA  )
       (resid  30 and name CB  )
       (resid  30 and name CG  ) 50.0    60.0  45.0  2
assign (resid  31 and name N   )
       (resid  31 and name CA  )
       (resid  31 and name CB  )
       (resid  31 and name CG  ) 50.0   -60.0  45.0  2
assign (resid  35 and name N   )
       (resid  35 and name CA  )
       (resid  35 and name CB  )
       (resid  35 and name SG  ) 50.0   180.0  45.0  2


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    HA   PCA   1           HA       PGL   1  -4.028  -7.431  -6.735
    2   1HB   PCA   1           HB2      PGL   1  -3.722  -9.072  -4.404
    3   2HB   PCA   1           HB3      PGL   1  -4.835  -9.357  -5.776
    4   1HG   PCA   1           HG2      PGL   1  -2.126 -10.662  -5.275
    5   2HG   PCA   1           HG3      PGL   1  -3.636 -11.360  -6.020
    6    HN   PCA   1           HN       PGL   1  -2.295  -8.158  -8.252
    7    H    PHE   2           HN       PHE   2  -1.557  -6.370  -7.390
    8    HA   PHE   2           HA       PHE   2  -0.492  -5.308  -4.861
    9   1HB   PHE   2           HB2      PHE   2   1.003  -6.119  -7.455
   10   2HB   PHE   2           HB3      PHE   2   1.748  -5.143  -6.133
   11    HD1  PHE   2           HD2      PHE   2   1.823  -6.113  -3.781
   12    HD2  PHE   2           HD1      PHE   2   0.926  -8.502  -7.245
   13    HE1  PHE   2           HE2      PHE   2   2.408  -8.162  -2.524
   14    HE2  PHE   2           HE1      PHE   2   1.503 -10.545  -5.983
   15    HZ   PHE   2           HZ       PHE   2   2.246 -10.383  -3.623
   16    H    THR   3           HN       THR   3   0.418  -3.123  -5.172
   17    HA   THR   3           HA       THR   3  -1.046  -1.512  -7.145
   18    HB   THR   3           HB       THR   3  -0.560   0.313  -5.338
   19    HG1  THR   3           HG1      THR   3   0.172  -0.338  -3.552
   20   1HG2  THR   3           HG23     THR   3  -2.593  -1.954  -4.828
   21   2HG2  THR   3           HG21     THR   3  -2.608  -0.330  -4.050
   22   3HG2  THR   3           HG22     THR   3  -2.833  -0.474  -5.838
   23    H    ASN   4           HN       ASN   4   0.187   0.336  -7.992
   24    HA   ASN   4           HA       ASN   4   3.087   0.191  -7.786
   25   1HB   ASN   4           HB2      ASN   4   3.293   0.333 -10.303
   26   2HB   ASN   4           HB3      ASN   4   2.738  -1.248  -9.690
   27   1HD2  ASN   4           HD22     ASN   4   0.507   0.744 -12.454
   28   2HD2  ASN   4           HD21     ASN   4   2.068   1.283 -11.932
   29    H    VAL   5           HN       VAL   5   1.689   1.878  -6.369
   30    HA   VAL   5           HA       VAL   5   1.652   4.476  -7.737
   31    HB   VAL   5           HB       VAL   5   0.959   4.060  -4.800
   32   1HG1  VAL   5           HG13     VAL   5  -0.083   5.897  -7.077
   33   2HG1  VAL   5           HG11     VAL   5  -0.670   5.900  -5.372
   34   3HG1  VAL   5           HG12     VAL   5   1.005   6.422  -5.740
   35   1HG2  VAL   5           HG22     VAL   5  -0.765   3.254  -7.210
   36   2HG2  VAL   5           HG23     VAL   5  -0.254   2.270  -5.769
   37   3HG2  VAL   5           HG21     VAL   5  -1.405   3.632  -5.567
   38    H    SER   6           HN       SER   6   2.604   6.142  -5.730
   39    HA   SER   6           HA       SER   6   5.339   5.201  -5.112
   40   1HB   SER   6           HB2      SER   6   5.983   7.660  -5.053
   41   2HB   SER   6           HB3      SER   6   5.672   6.914  -6.647
   42    HG   SER   6           HG       SER   6   3.808   8.458  -5.172
   43    H    CYS   7           HN       CYS   7   5.905   5.088  -3.091
   44    HA   CYS   7           HA       CYS   7   4.370   6.542  -0.982
   45   1HB   CYS   7           HB2      CYS   7   3.224   4.574  -1.045
   46   2HB   CYS   7           HB3      CYS   7   4.654   3.554  -1.067
   47    H    THR   8           HN       THR   8   5.500   6.970   0.850
   48    HA   THR   8           HA       THR   8   8.376   6.387   0.993
   49    HB   THR   8           HB       THR   8   8.697   8.697   2.021
   50    HG1  THR   8           HG1      THR   8   6.237   9.123   0.662
   51   1HG2  THR   8           HG23     THR   8   9.492   8.013  -0.265
   52   2HG2  THR   8           HG21     THR   8   7.922   8.558  -0.967
   53   3HG2  THR   8           HG22     THR   8   9.019   9.749  -0.182
   54    H    THR   9           HN       THR   9   5.387   7.468   2.730
   55    HA   THR   9           HA       THR   9   6.398   6.277   5.230
   56    HB   THR   9           HB       THR   9   4.575   7.726   6.301
   57    HG1  THR   9           HG1      THR   9   3.499   8.212   4.320
   58   1HG2  THR   9           HG21     THR   9   7.020   8.210   6.371
   59   2HG2  THR   9           HG22     THR   9   6.894   9.107   4.806
   60   3HG2  THR   9           HG23     THR   9   6.024   9.713   6.270
   61    H    SER  10           HN       SER  10   5.327   4.601   6.169
   62    HA   SER  10           HA       SER  10   3.171   3.336   4.704
   63   1HB   SER  10           HB2      SER  10   3.569   1.398   6.273
   64   2HB   SER  10           HB3      SER  10   4.954   1.871   5.240
   65    HG   SER  10           HG       SER  10   4.591   2.642   7.939
   66    H    LYS  11           HN       LYS  11   1.692   5.041   5.119
   67    HA   LYS  11           HA       LYS  11  -0.243   4.410   6.955
   68   1HB   LYS  11           HB2      LYS  11   1.308   5.685   8.606
   69   2HB   LYS  11           HB3      LYS  11   0.908   7.166   7.694
   70   1HG   LYS  11           HG2      LYS  11  -1.574   6.696   8.190
   71   2HG   LYS  11           HG3      LYS  11  -1.063   5.195   9.040
   72   1HD   LYS  11           HD2      LYS  11   0.277   6.623  10.650
   73   2HD   LYS  11           HD3      LYS  11  -0.397   8.094   9.838
   74   1HE   LYS  11           HE2      LYS  11  -2.740   7.294  10.435
   75   2HE   LYS  11           HE3      LYS  11  -1.993   5.882  11.309
   76   1HZ   LYS  11           HZ3      LYS  11  -0.842   7.463  12.718
   77   2HZ   LYS  11           HZ1      LYS  11  -1.596   8.761  11.919
   78   3HZ   LYS  11           HZ2      LYS  11  -2.530   7.648  12.801
   79    H    GLU  12           HN       GLU  12   1.360   6.823   4.818
   80    HA   GLU  12           HA       GLU  12  -0.492   8.355   3.821
   81   1HB   GLU  12           HB2      GLU  12   2.048   8.061   3.546
   82   2HB   GLU  12           HB3      GLU  12   1.730   6.909   2.234
   83   1HG   GLU  12           HG2      GLU  12   0.481   8.824   1.013
   84   2HG   GLU  12           HG3      GLU  12   0.957   9.888   2.397
   85   1HN   ABA  13           HN       ABA  13   0.163   5.038   2.651
   86    HA   ABA  13           HA       ABA  13  -1.741   5.271   0.417
   87   1HB   ABA  13           HB3      ABA  13   0.561   5.016  -0.220
   88   2HB   ABA  13           HB2      ABA  13  -0.370   3.563  -0.646
   89   1HG   ABA  13           HG1      ABA  13   1.469   3.858   1.835
   90   2HG   ABA  13           HG2      ABA  13   0.681   2.319   1.282
   91   3HG   ABA  13           HG3      ABA  13   1.920   3.138   0.245
   92    H    TRP  14           HN       TRP  14  -2.568   4.649   3.207
   93    HA   TRP  14           HA       TRP  14  -3.313   1.863   3.202
   94   1HB   TRP  14           HB2      TRP  14  -3.704   4.159   5.194
   95   2HB   TRP  14           HB3      TRP  14  -4.446   2.546   5.434
   96    HD1  TRP  14           HD1      TRP  14  -0.728   2.904   4.128
   97    HE1  TRP  14           HE1      TRP  14   0.653   1.490   5.668
   98    HE3  TRP  14           HE3      TRP  14  -4.272   1.954   7.710
   99    HZ2  TRP  14           HZ2      TRP  14   0.370   0.138   8.150
  100    HZ3  TRP  14           HZ3      TRP  14  -3.657   0.489   9.603
  101    HH2  TRP  14           HH2      TRP  14  -1.386  -0.485   9.754
  102    H    SER  15           HN       SER  15  -4.754   4.864   2.064
  103    HA   SER  15           HA       SER  15  -7.446   3.829   1.943
  104   1HB   SER  15           HB2      SER  15  -7.963   6.100   0.971
  105   2HB   SER  15           HB3      SER  15  -7.270   6.125   2.619
  106    HG   SER  15           HG       SER  15  -6.346   7.661   1.232
  107    H    VAL  16           HN       VAL  16  -4.610   3.321   0.293
  108    HA   VAL  16           HA       VAL  16  -5.749   3.204  -2.397
  109    HB   VAL  16           HB       VAL  16  -2.893   2.610  -1.458
  110   1HG1  VAL  16           HG11     VAL  16  -4.095   3.104  -4.275
  111   2HG1  VAL  16           HG12     VAL  16  -2.354   2.858  -3.877
  112   3HG1  VAL  16           HG13     VAL  16  -3.511   1.513  -3.653
  113   1HG2  VAL  16           HG23     VAL  16  -4.168   5.154  -2.664
  114   2HG2  VAL  16           HG21     VAL  16  -3.501   4.986  -0.994
  115   3HG2  VAL  16           HG22     VAL  16  -2.403   4.881  -2.413
  116    H    CYS  17           HN       CYS  17  -4.449   1.086   0.245
  117    HA   CYS  17           HA       CYS  17  -5.005  -1.384  -0.924
  118   1HB   CYS  17           HB2      CYS  17  -4.510  -0.281   1.880
  119   2HB   CYS  17           HB3      CYS  17  -5.075  -1.965   1.782
  120    H    GLN  18           HN       GLN  18  -7.180   0.955   0.536
  121    HA   GLN  18           HA       GLN  18  -9.241  -0.861   1.314
  122   1HB   GLN  18           HB2      GLN  18  -8.402   1.320   2.408
  123   2HB   GLN  18           HB3      GLN  18  -9.309   2.228   1.179
  124   1HG   GLN  18           HG2      GLN  18 -10.403   0.101   3.114
  125   2HG   GLN  18           HG3      GLN  18 -10.418   1.886   3.425
  126   1HE2  GLN  18           HE22     GLN  18 -13.013   2.563   0.915
  127   2HE2  GLN  18           HE21     GLN  18 -11.483   3.181   1.451
  128    H    ARG  19           HN       ARG  19  -8.821   1.742  -1.049
  129    HA   ARG  19           HA       ARG  19 -11.288   1.517  -2.371
  130   1HB   ARG  19           HB2      ARG  19  -8.688   2.978  -3.016
  131   2HB   ARG  19           HB3      ARG  19 -10.138   3.171  -4.055
  132   1HG   ARG  19           HG2      ARG  19 -10.529   3.627  -1.087
  133   2HG   ARG  19           HG3      ARG  19  -9.558   4.820  -2.004
  134   1HD   ARG  19           HD2      ARG  19 -11.906   5.552  -1.947
  135   2HD   ARG  19           HD3      ARG  19 -11.380   5.179  -3.640
  136    HE   ARG  19           HE       ARG  19 -12.857   3.136  -1.925
  137   1HH1  ARG  19           HH22     ARG  19 -12.724   5.028  -4.961
  138   2HH1  ARG  19           HH21     ARG  19 -14.118   4.255  -5.643
  139   1HH2  ARG  19           HH12     ARG  19 -14.714   2.144  -2.854
  140   2HH2  ARG  19           HH11     ARG  19 -15.258   2.601  -4.436
  141    H    LEU  20           HN       LEU  20  -8.199  -0.149  -3.036
  142    HA   LEU  20           HA       LEU  20  -8.908  -0.962  -5.691
  143   1HB   LEU  20           HB2      LEU  20  -6.629  -0.244  -4.617
  144   2HB   LEU  20           HB3      LEU  20  -6.550  -1.879  -3.945
  145    HG   LEU  20           HG       LEU  20  -5.240  -1.784  -5.815
  146   1HD1  LEU  20           HD13     LEU  20  -6.649  -3.883  -5.903
  147   2HD1  LEU  20           HD11     LEU  20  -7.753  -3.058  -7.067
  148   3HD1  LEU  20           HD12     LEU  20  -6.042  -3.373  -7.519
  149   1HD2  LEU  20           HD22     LEU  20  -6.057   0.353  -6.804
  150   2HD2  LEU  20           HD23     LEU  20  -5.835  -0.897  -8.086
  151   3HD2  LEU  20           HD21     LEU  20  -7.489  -0.491  -7.500
  152    H    HIS  21           HN       HIS  21  -8.198  -2.543  -2.495
  153    HA   HIS  21           HA       HIS  21  -9.672  -4.946  -3.304
  154   1HB   HIS  21           HB2      HIS  21  -7.560  -4.514  -1.106
  155   2HB   HIS  21           HB3      HIS  21  -8.380  -6.075  -1.490
  156    HD1  HIS  21           HD1      HIS  21  -7.729  -7.078  -3.956
  157    HD2  HIS  21           HD2      HIS  21  -5.425  -3.807  -2.690
  158    HE1  HIS  21           HE1      HIS  21  -5.634  -6.964  -5.414
  159    H    ASN  22           HN       ASN  22  -9.079  -4.539   0.015
  160    HA   ASN  22           HA       ASN  22 -11.070  -2.943   0.976
  161   1HB   ASN  22           HB2      ASN  22 -12.820  -4.699   1.795
  162   2HB   ASN  22           HB3      ASN  22 -12.922  -4.148   0.110
  163   1HD2  ASN  22           HD22     ASN  22 -12.809  -7.366  -1.265
  164   2HD2  ASN  22           HD21     ASN  22 -13.254  -5.694  -1.396
  165    H    THR  23           HN       THR  23  -8.679  -2.947   1.888
  166    HA   THR  23           HA       THR  23  -8.828  -4.343   4.418
  167    HB   THR  23           HB       THR  23  -7.647  -5.900   2.796
  168    HG1  THR  23           HG1      THR  23  -7.467  -5.999   5.022
  169   1HG2  THR  23           HG21     THR  23  -6.262  -4.204   1.550
  170   2HG2  THR  23           HG22     THR  23  -5.322  -3.874   3.061
  171   3HG2  THR  23           HG23     THR  23  -5.259  -5.493   2.316
  172    H    SER  24           HN       SER  24  -6.548  -3.606   5.595
  173    HA   SER  24           HA       SER  24  -6.077  -0.780   5.198
  174   1HB   SER  24           HB2      SER  24  -7.259  -1.902   7.835
  175   2HB   SER  24           HB3      SER  24  -6.599  -0.233   7.610
  176    HG   SER  24           HG       SER  24  -8.197   0.113   6.079
  177    H    ARG  25           HN       ARG  25  -4.832  -3.625   5.083
  178    HA   ARG  25           HA       ARG  25  -2.509  -3.058   6.825
  179   1HB   ARG  25           HB2      ARG  25  -3.392  -5.768   5.662
  180   2HB   ARG  25           HB3      ARG  25  -1.829  -5.426   6.474
  181   1HG   ARG  25           HG2      ARG  25  -2.985  -6.426   8.157
  182   2HG   ARG  25           HG3      ARG  25  -3.208  -4.684   8.539
  183   1HD   ARG  25           HD2      ARG  25  -5.331  -5.915   8.915
  184   2HD   ARG  25           HD3      ARG  25  -5.535  -4.808   7.514
  185    HE   ARG  25           HE       ARG  25  -5.435  -6.647   5.970
  186   1HH1  ARG  25           HH12     ARG  25  -5.265  -7.818   9.349
  187   2HH1  ARG  25           HH11     ARG  25  -5.622  -9.463   8.923
  188   1HH2  ARG  25           HH22     ARG  25  -5.904  -8.832   5.441
  189   2HH2  ARG  25           HH21     ARG  25  -5.990 -10.046   6.678
  190    H    GLY  26           HN       GLY  26  -0.837  -2.320   5.785
  191   1HA   GLY  26           HA1      GLY  26  -0.104  -2.888   3.127
  192   2HA   GLY  26           HA2      GLY  26  -0.990  -1.302   3.300
  193    H    LYS  27           HN       LYS  27   1.949  -2.178   2.871
  194    HA   LYS  27           HA       LYS  27   3.102  -0.099   4.483
  195   1HB   LYS  27           HB2      LYS  27   3.603  -1.908   6.011
  196   2HB   LYS  27           HB3      LYS  27   3.980  -3.030   4.683
  197   1HG   LYS  27           HG2      LYS  27   6.050  -1.734   4.162
  198   2HG   LYS  27           HG3      LYS  27   5.668  -0.623   5.538
  199   1HD   LYS  27           HD2      LYS  27   7.302  -2.129   6.347
  200   2HD   LYS  27           HD3      LYS  27   5.752  -2.764   7.021
  201   1HE   LYS  27           HE2      LYS  27   5.711  -4.544   5.237
  202   2HE   LYS  27           HE3      LYS  27   7.198  -3.834   4.487
  203   1HZ   LYS  27           HZ3      LYS  27   8.369  -4.304   6.540
  204   2HZ   LYS  27           HZ1      LYS  27   6.974  -5.006   7.211
  205   3HZ   LYS  27           HZ2      LYS  27   7.711  -5.710   5.851
  206    H    CYS  28           HN       CYS  28   5.154   0.501   3.350
  207    HA   CYS  28           HA       CYS  28   5.190  -0.391   0.528
  208   1HB   CYS  28           HB2      CYS  28   5.671   1.955  -0.172
  209   2HB   CYS  28           HB3      CYS  28   4.065   1.743   0.568
  210    H    MET  29           HN       MET  29   7.329   0.379  -0.520
  211    HA   MET  29           HA       MET  29   9.342  -0.958   1.087
  212   1HB   MET  29           HB2      MET  29   8.320  -1.769  -1.154
  213   2HB   MET  29           HB3      MET  29   9.411  -0.606  -1.937
  214   1HG   MET  29           HG2      MET  29  11.352  -1.779  -0.703
  215   2HG   MET  29           HG3      MET  29  10.141  -2.873   0.038
  216   1HE   MET  29           HE2      MET  29  12.419  -4.247  -1.107
  217   2HE   MET  29           HE3      MET  29  10.910  -5.079  -0.591
  218   3HE   MET  29           HE1      MET  29  11.680  -5.508  -2.155
  219    H    ASN  30           HN       ASN  30  10.947   0.405  -1.395
  220    HA   ASN  30           HA       ASN  30  11.977   2.595   0.148
  221   1HB   ASN  30           HB2      ASN  30  13.666   2.800  -1.731
  222   2HB   ASN  30           HB3      ASN  30  13.644   1.262  -0.823
  223   1HD2  ASN  30           HD22     ASN  30  13.088   1.219  -4.869
  224   2HD2  ASN  30           HD21     ASN  30  13.368   2.688  -3.992
  225    H    LYS  31           HN       LYS  31  10.057   2.223  -2.823
  226    HA   LYS  31           HA       LYS  31   9.581   5.128  -2.917
  227   1HB   LYS  31           HB2      LYS  31  10.668   3.339  -5.159
  228   2HB   LYS  31           HB3      LYS  31  10.016   4.979  -5.457
  229   1HG   LYS  31           HG2      LYS  31  11.760   6.046  -4.158
  230   2HG   LYS  31           HG3      LYS  31  12.434   4.458  -3.662
  231   1HD   LYS  31           HD2      LYS  31  13.826   5.259  -5.399
  232   2HD   LYS  31           HD3      LYS  31  12.873   3.869  -6.040
  233   1HE   LYS  31           HE2      LYS  31  11.361   5.463  -7.273
  234   2HE   LYS  31           HE3      LYS  31  12.264   6.866  -6.569
  235   1HZ   LYS  31           HZ3      LYS  31  13.403   4.753  -8.323
  236   2HZ   LYS  31           HZ1      LYS  31  12.977   6.330  -8.792
  237   3HZ   LYS  31           HZ2      LYS  31  14.236   6.085  -7.678
  238    H    LYS  32           HN       LYS  32   7.907   2.058  -2.859
  239    HA   LYS  32           HA       LYS  32   5.824   3.199  -4.560
  240   1HB   LYS  32           HB2      LYS  32   5.573   1.429  -5.984
  241   2HB   LYS  32           HB3      LYS  32   7.288   1.917  -6.102
  242   1HG   LYS  32           HG2      LYS  32   7.904  -0.004  -4.525
  243   2HG   LYS  32           HG3      LYS  32   6.188  -0.560  -4.639
  244   1HD   LYS  32           HD2      LYS  32   6.420  -0.574  -7.141
  245   2HD   LYS  32           HD3      LYS  32   8.179  -0.277  -6.949
  246   1HE   LYS  32           HE2      LYS  32   6.581  -2.724  -5.876
  247   2HE   LYS  32           HE3      LYS  32   7.712  -2.724  -7.288
  248   1HZ   LYS  32           HZ2      LYS  32   8.443  -2.150  -4.459
  249   2HZ   LYS  32           HZ3      LYS  32   8.713  -3.597  -5.301
  250   3HZ   LYS  32           HZ1      LYS  32   9.503  -2.175  -5.787
  251   1HN   ABA  33           HN       ABA  33   3.742   2.185  -4.303
  252    HA   ABA  33           HA       ABA  33   3.219   1.504  -1.594
  253   1HB   ABA  33           HB3      ABA  33   1.459   1.862  -4.074
  254   2HB   ABA  33           HB2      ABA  33   1.888   3.088  -2.832
  255   1HG   ABA  33           HG1      ABA  33   0.790   1.684  -1.079
  256   2HG   ABA  33           HG2      ABA  33  -0.339   2.337  -2.337
  257   3HG   ABA  33           HG3      ABA  33   0.132   0.600  -2.332
  258    H    ARG  34           HN       ARG  34   2.547  -0.504  -0.806
  259    HA   ARG  34           HA       ARG  34   2.067  -2.717  -2.652
  260   1HB   ARG  34           HB2      ARG  34   4.542  -2.606  -1.691
  261   2HB   ARG  34           HB3      ARG  34   3.820  -3.181  -0.168
  262   1HG   ARG  34           HG2      ARG  34   2.927  -5.205  -1.403
  263   2HG   ARG  34           HG3      ARG  34   3.577  -4.518  -2.942
  264   1HD   ARG  34           HD2      ARG  34   5.906  -4.616  -1.984
  265   2HD   ARG  34           HD3      ARG  34   5.226  -5.390  -0.477
  266    HE   ARG  34           HE       ARG  34   4.311  -6.864  -2.782
  267   1HH1  ARG  34           HH12     ARG  34   7.313  -6.221  -0.981
  268   2HH1  ARG  34           HH11     ARG  34   8.087  -7.705  -1.450
  269   1HH2  ARG  34           HH22     ARG  34   5.360  -8.856  -3.414
  270   2HH2  ARG  34           HH21     ARG  34   6.962  -9.213  -2.846
  271    H    CYS  35           HN       CYS  35   1.145  -4.611  -1.070
  272    HA   CYS  35           HA       CYS  35  -0.536  -3.492   0.981
  273   1HB   CYS  35           HB2      CYS  35  -1.677  -3.293  -1.438
  274   2HB   CYS  35           HB3      CYS  35  -1.924  -5.047  -1.292
  275    H    TYR  36           HN       TYR  36  -1.375  -5.175   2.274
  276    HA   TYR  36           HA       TYR  36   0.128  -7.704   2.167
  277   1HB   TYR  36           HB2      TYR  36   0.415  -5.318   4.069
  278   2HB   TYR  36           HB3      TYR  36   0.768  -6.969   4.729
  279    HD1  TYR  36           HD2      TYR  36   2.226  -8.345   2.629
  280    HD2  TYR  36           HD1      TYR  36   2.390  -4.214   3.799
  281    HE1  TYR  36           HE2      TYR  36   4.554  -8.195   1.818
  282    HE2  TYR  36           HE1      TYR  36   4.664  -4.043   2.975
  283    HH   TYR  36           HH       TYR  36   6.388  -6.901   1.597
  284    H    SER  37           HN       SER  37  -2.326  -8.002   1.593
  285    HA   SER  37           HA       SER  37  -4.057  -8.078   3.912
  286   1HB   SER  37           HB2      SER  37  -4.928  -7.515   1.611
  287   2HB   SER  37           HB3      SER  37  -4.526  -9.185   1.084
  288    HG   SER  37           HG       SER  37  -6.249  -8.430   3.219
   
  No H/Q in entry =         288
  Start of MODEL    2
    1    HA   PCA   1           HA       PGL   1  -3.978  -7.668  -7.078
    2   1HB   PCA   1           HB2      PGL   1  -2.286  -9.697  -6.022
    3   2HB   PCA   1           HB3      PGL   1  -3.589  -9.945  -7.226
    4   1HG   PCA   1           HG2      PGL   1  -0.596  -9.672  -7.771
    5   2HG   PCA   1           HG3      PGL   1  -1.818 -10.778  -8.548
    6    HN   PCA   1           HN       PGL   1  -2.855  -6.799  -9.027
    7    H    PHE   2           HN       PHE   2  -1.218  -6.028  -7.774
    8    HA   PHE   2           HA       PHE   2  -0.677  -5.147  -5.022
    9   1HB   PHE   2           HB2      PHE   2   1.300  -5.850  -7.300
   10   2HB   PHE   2           HB3      PHE   2   1.772  -4.769  -5.940
   11    HD1  PHE   2           HD1      PHE   2   1.511  -5.586  -3.559
   12    HD2  PHE   2           HD2      PHE   2   1.370  -8.217  -6.956
   13    HE1  PHE   2           HE1      PHE   2   2.055  -7.505  -2.096
   14    HE2  PHE   2           HE2      PHE   2   1.904 -10.137  -5.488
   15    HZ   PHE   2           HZ       PHE   2   2.249  -9.783  -3.056
   16    H    THR   3           HN       THR   3   0.216  -2.924  -5.035
   17    HA   THR   3           HA       THR   3  -1.184  -1.225  -6.942
   18    HB   THR   3           HB       THR   3  -0.666   0.500  -5.065
   19    HG1  THR   3           HG1      THR   3   0.109  -0.229  -3.281
   20   1HG2  THR   3           HG22     THR   3  -2.494  -1.957  -4.601
   21   2HG2  THR   3           HG23     THR   3  -2.557  -0.454  -3.622
   22   3HG2  THR   3           HG21     THR   3  -2.908  -0.387  -5.392
   23    H    ASN   4           HN       ASN   4  -0.079   0.423  -8.075
   24    HA   ASN   4           HA       ASN   4   2.862   0.447  -7.957
   25   1HB   ASN   4           HB2      ASN   4   2.930   0.703 -10.447
   26   2HB   ASN   4           HB3      ASN   4   2.388  -0.905  -9.896
   27   1HD2  ASN   4           HD22     ASN   4   0.004   1.300 -12.378
   28   2HD2  ASN   4           HD21     ASN   4   1.587   1.813 -11.893
   29    H    VAL   5           HN       VAL   5   1.417   1.963  -6.379
   30    HA   VAL   5           HA       VAL   5   1.378   4.701  -7.437
   31    HB   VAL   5           HB       VAL   5   0.343   3.256  -4.936
   32   1HG1  VAL   5           HG12     VAL   5   0.489   6.311  -5.369
   33   2HG1  VAL   5           HG13     VAL   5  -0.562   5.484  -4.156
   34   3HG1  VAL   5           HG11     VAL   5   1.221   5.339  -4.022
   35   1HG2  VAL   5           HG21     VAL   5  -1.067   3.093  -6.968
   36   2HG2  VAL   5           HG22     VAL   5  -1.852   4.148  -5.742
   37   3HG2  VAL   5           HG23     VAL   5  -1.031   4.888  -7.167
   38    H    SER   6           HN       SER   6   2.786   6.274  -6.129
   39    HA   SER   6           HA       SER   6   5.283   4.997  -5.287
   40   1HB   SER   6           HB2      SER   6   6.247   7.339  -5.407
   41   2HB   SER   6           HB3      SER   6   5.709   6.598  -6.939
   42    HG   SER   6           HG       SER   6   4.207   8.433  -5.385
   43    H    CYS   7           HN       CYS   7   6.105   5.108  -3.263
   44    HA   CYS   7           HA       CYS   7   4.463   6.482  -1.167
   45   1HB   CYS   7           HB2      CYS   7   3.514   4.402  -1.194
   46   2HB   CYS   7           HB3      CYS   7   5.040   3.532  -1.197
   47    H    THR   8           HN       THR   8   5.493   7.114   0.579
   48    HA   THR   8           HA       THR   8   8.378   6.723   0.912
   49    HB   THR   8           HB       THR   8   8.514   9.098   1.830
   50    HG1  THR   8           HG1      THR   8   6.245   9.444   1.870
   51   1HG2  THR   8           HG21     THR   8   9.496   8.362  -0.357
   52   2HG2  THR   8           HG22     THR   8   7.950   8.762  -1.193
   53   3HG2  THR   8           HG23     THR   8   8.912  10.064  -0.405
   54    H    THR   9           HN       THR   9   5.165   7.595   2.361
   55    HA   THR   9           HA       THR   9   6.178   6.898   5.034
   56    HB   THR   9           HB       THR   9   4.111   8.190   5.806
   57    HG1  THR   9           HG1      THR   9   3.078   8.190   3.752
   58   1HG2  THR   9           HG22     THR   9   6.454   9.062   5.875
   59   2HG2  THR   9           HG23     THR   9   6.280   9.687   4.190
   60   3HG2  THR   9           HG21     THR   9   5.254  10.358   5.514
   61    H    SER  10           HN       SER  10   5.256   5.336   6.273
   62    HA   SER  10           HA       SER  10   3.119   3.675   5.177
   63   1HB   SER  10           HB2      SER  10   3.584   2.150   7.116
   64   2HB   SER  10           HB3      SER  10   4.918   2.358   5.943
   65    HG   SER  10           HG       SER  10   4.685   3.707   8.421
   66    H    LYS  11           HN       LYS  11   1.463   5.070   5.242
   67    HA   LYS  11           HA       LYS  11  -0.154   5.510   7.458
   68   1HB   LYS  11           HB2      LYS  11   1.480   7.251   8.182
   69   2HB   LYS  11           HB3      LYS  11   1.542   7.936   6.530
   70   1HG   LYS  11           HG2      LYS  11  -0.826   8.704   6.752
   71   2HG   LYS  11           HG3      LYS  11  -0.938   7.932   8.374
   72   1HD   LYS  11           HD2      LYS  11   0.786   9.458   9.256
   73   2HD   LYS  11           HD3      LYS  11   1.063  10.161   7.626
   74   1HE   LYS  11           HE2      LYS  11  -1.610  10.338   9.189
   75   2HE   LYS  11           HE3      LYS  11  -0.358  11.643   9.105
   76   1HZ   LYS  11           HZ2      LYS  11  -0.657  11.714   6.729
   77   2HZ   LYS  11           HZ3      LYS  11  -1.829  10.487   6.795
   78   3HZ   LYS  11           HZ1      LYS  11  -2.125  11.985   7.538
   79    H    GLU  12           HN       GLU  12   1.181   6.693   4.370
   80    HA   GLU  12           HA       GLU  12  -0.919   7.720   3.073
   81   1HB   GLU  12           HB2      GLU  12   1.715   7.588   2.807
   82   2HB   GLU  12           HB3      GLU  12   1.415   6.228   1.720
   83   1HG   GLU  12           HG2      GLU  12  -0.184   7.919   0.418
   84   2HG   GLU  12           HG3      GLU  12   0.554   9.174   1.495
   85   1HN   ABA  13           HN       ABA  13   0.035   4.325   3.243
   86    HA   ABA  13           HA       ABA  13  -1.151   3.562   0.735
   87   1HB   ABA  13           HB3      ABA  13   0.127   1.511   1.007
   88   2HB   ABA  13           HB2      ABA  13   0.439   1.880   2.749
   89   1HG   ABA  13           HG1      ABA  13   1.499   3.575   0.376
   90   2HG   ABA  13           HG2      ABA  13   1.834   3.833   2.129
   91   3HG   ABA  13           HG3      ABA  13   2.390   2.332   1.319
   92    H    TRP  14           HN       TRP  14  -2.504   3.834   3.718
   93    HA   TRP  14           HA       TRP  14  -4.027   1.411   3.938
   94   1HB   TRP  14           HB2      TRP  14  -3.730   4.074   5.388
   95   2HB   TRP  14           HB3      TRP  14  -5.227   3.128   5.702
   96    HD1  TRP  14           HD1      TRP  14  -5.192   1.188   7.244
   97    HE1  TRP  14           HE1      TRP  14  -3.445  -0.230   8.392
   98    HE3  TRP  14           HE3      TRP  14  -1.013   3.261   5.178
   99    HZ2  TRP  14           HZ2      TRP  14  -0.587  -0.286   8.678
  100    HZ3  TRP  14           HZ3      TRP  14   1.189   2.364   5.810
  101    HH2  TRP  14           HH2      TRP  14   1.411   0.676   7.591
  102    H    SER  15           HN       SER  15  -4.509   4.599   2.385
  103    HA   SER  15           HA       SER  15  -7.301   4.075   1.822
  104   1HB   SER  15           HB2      SER  15  -7.213   6.365   0.751
  105   2HB   SER  15           HB3      SER  15  -6.812   6.329   2.497
  106    HG   SER  15           HG       SER  15  -4.922   6.363   0.391
  107    H    VAL  16           HN       VAL  16  -4.250   3.195   0.506
  108    HA   VAL  16           HA       VAL  16  -5.240   3.106  -2.256
  109    HB   VAL  16           HB       VAL  16  -2.443   2.442  -1.180
  110   1HG1  VAL  16           HG11     VAL  16  -3.537   3.139  -3.999
  111   2HG1  VAL  16           HG12     VAL  16  -1.804   2.862  -3.579
  112   3HG1  VAL  16           HG13     VAL  16  -2.982   1.514  -3.457
  113   1HG2  VAL  16           HG22     VAL  16  -3.575   5.112  -2.239
  114   2HG2  VAL  16           HG23     VAL  16  -2.938   4.790  -0.580
  115   3HG2  VAL  16           HG21     VAL  16  -1.829   4.743  -1.988
  116    H    CYS  17           HN       CYS  17  -4.599   0.978   0.585
  117    HA   CYS  17           HA       CYS  17  -4.981  -1.409  -0.979
  118   1HB   CYS  17           HB2      CYS  17  -4.561  -0.719   1.957
  119   2HB   CYS  17           HB3      CYS  17  -5.155  -2.350   1.549
  120    H    GLN  18           HN       GLN  18  -7.070   0.960   0.597
  121    HA   GLN  18           HA       GLN  18  -9.254  -0.808   1.085
  122   1HB   GLN  18           HB2      GLN  18  -8.435   0.988   2.609
  123   2HB   GLN  18           HB3      GLN  18  -8.962   2.231   1.427
  124   1HG   GLN  18           HG2      GLN  18 -11.330   1.409   1.687
  125   2HG   GLN  18           HG3      GLN  18 -10.725   0.083   2.767
  126   1HE2  GLN  18           HE22     GLN  18 -11.977   2.634   5.125
  127   2HE2  GLN  18           HE21     GLN  18 -12.575   1.431   4.029
  128    H    ARG  19           HN       ARG  19  -8.318   1.715  -1.294
  129    HA   ARG  19           HA       ARG  19 -10.915   1.863  -2.529
  130   1HB   ARG  19           HB2      ARG  19  -8.201   3.121  -3.161
  131   2HB   ARG  19           HB3      ARG  19  -9.680   3.486  -4.121
  132   1HG   ARG  19           HG2      ARG  19  -9.699   3.933  -1.095
  133   2HG   ARG  19           HG3      ARG  19  -8.861   5.067  -2.200
  134   1HD   ARG  19           HD2      ARG  19 -11.080   5.902  -1.727
  135   2HD   ARG  19           HD3      ARG  19 -10.906   5.477  -3.491
  136    HE   ARG  19           HE       ARG  19 -11.983   3.161  -2.366
  137   1HH1  ARG  19           HH12     ARG  19 -13.009   6.587  -2.369
  138   2HH1  ARG  19           HH11     ARG  19 -14.701   6.213  -2.344
  139   1HH2  ARG  19           HH22     ARG  19 -14.254   2.686  -2.340
  140   2HH2  ARG  19           HH21     ARG  19 -15.418   3.969  -2.329
  141    H    LEU  20           HN       LEU  20  -8.037  -0.052  -2.986
  142    HA   LEU  20           HA       LEU  20  -8.599  -0.811  -5.736
  143   1HB   LEU  20           HB2      LEU  20  -6.369  -1.061  -3.733
  144   2HB   LEU  20           HB3      LEU  20  -6.498  -2.430  -4.885
  145    HG   LEU  20           HG       LEU  20  -4.915  -0.788  -5.540
  146   1HD1  LEU  20           HD13     LEU  20  -5.992  -2.246  -7.236
  147   2HD1  LEU  20           HD11     LEU  20  -7.244  -0.986  -7.551
  148   3HD1  LEU  20           HD12     LEU  20  -5.517  -0.660  -7.949
  149   1HD2  LEU  20           HD22     LEU  20  -5.994   1.345  -4.758
  150   2HD2  LEU  20           HD23     LEU  20  -5.453   1.435  -6.473
  151   3HD2  LEU  20           HD21     LEU  20  -7.199   1.213  -6.092
  152    H    HIS  21           HN       HIS  21  -7.988  -2.490  -2.605
  153    HA   HIS  21           HA       HIS  21  -9.766  -4.686  -3.377
  154   1HB   HIS  21           HB2      HIS  21  -7.613  -4.504  -1.193
  155   2HB   HIS  21           HB3      HIS  21  -8.558  -5.974  -1.650
  156    HD1  HIS  21           HD1      HIS  21  -8.001  -6.853  -4.211
  157    HD2  HIS  21           HD2      HIS  21  -5.413  -3.912  -2.712
  158    HE1  HIS  21           HE1      HIS  21  -5.917  -6.799  -5.691
  159    H    ASN  22           HN       ASN  22  -9.118  -4.420  -0.086
  160    HA   ASN  22           HA       ASN  22 -11.017  -2.715   0.931
  161   1HB   ASN  22           HB2      ASN  22 -12.854  -4.424   1.712
  162   2HB   ASN  22           HB3      ASN  22 -12.932  -3.772   0.066
  163   1HD2  ASN  22           HD22     ASN  22 -12.070  -7.829   0.543
  164   2HD2  ASN  22           HD21     ASN  22 -11.735  -6.734   1.845
  165    H    THR  23           HN       THR  23  -8.611  -2.891   1.829
  166    HA   THR  23           HA       THR  23  -8.835  -4.356   4.315
  167    HB   THR  23           HB       THR  23  -7.776  -5.895   2.527
  168    HG1  THR  23           HG1      THR  23  -7.798  -6.226   4.734
  169   1HG2  THR  23           HG22     THR  23  -6.116  -4.239   1.592
  170   2HG2  THR  23           HG23     THR  23  -5.267  -4.233   3.198
  171   3HG2  THR  23           HG21     THR  23  -5.348  -5.737   2.235
  172    H    SER  24           HN       SER  24  -6.568  -3.829   5.539
  173    HA   SER  24           HA       SER  24  -5.993  -0.999   5.321
  174   1HB   SER  24           HB2      SER  24  -6.705  -0.494   7.683
  175   2HB   SER  24           HB3      SER  24  -8.054  -0.761   6.539
  176    HG   SER  24           HG       SER  24  -8.360  -1.806   8.503
  177    H    ARG  25           HN       ARG  25  -4.541  -3.519   4.900
  178    HA   ARG  25           HA       ARG  25  -2.359  -2.941   6.719
  179   1HB   ARG  25           HB2      ARG  25  -1.859  -5.591   6.536
  180   2HB   ARG  25           HB3      ARG  25  -2.689  -4.850   7.915
  181   1HG   ARG  25           HG2      ARG  25  -4.447  -5.794   5.644
  182   2HG   ARG  25           HG3      ARG  25  -3.656  -7.032   6.662
  183   1HD   ARG  25           HD2      ARG  25  -4.834  -6.542   8.590
  184   2HD   ARG  25           HD3      ARG  25  -4.963  -4.775   8.203
  185    HE   ARG  25           HE       ARG  25  -6.499  -6.082   6.237
  186   1HH1  ARG  25           HH12     ARG  25  -6.572  -5.607   9.783
  187   2HH1  ARG  25           HH11     ARG  25  -8.302  -5.587   9.879
  188   1HH2  ARG  25           HH22     ARG  25  -8.823  -6.110   6.400
  189   2HH2  ARG  25           HH21     ARG  25  -9.597  -5.877   7.933
  190    H    GLY  26           HN       GLY  26  -0.853  -2.342   5.515
  191   1HA   GLY  26           HA1      GLY  26   0.247  -3.352   3.257
  192   2HA   GLY  26           HA2      GLY  26  -1.072  -2.228   2.715
  193    H    LYS  27           HN       LYS  27   2.114  -2.234   3.033
  194    HA   LYS  27           HA       LYS  27   2.409   0.455   4.160
  195   1HB   LYS  27           HB2      LYS  27   4.423  -1.887   4.377
  196   2HB   LYS  27           HB3      LYS  27   4.602  -0.224   5.057
  197   1HG   LYS  27           HG2      LYS  27   2.620  -0.690   6.538
  198   2HG   LYS  27           HG3      LYS  27   2.576  -2.376   5.911
  199   1HD   LYS  27           HD2      LYS  27   4.933  -2.717   6.718
  200   2HD   LYS  27           HD3      LYS  27   4.915  -1.068   7.434
  201   1HE   LYS  27           HE2      LYS  27   3.018  -3.402   8.197
  202   2HE   LYS  27           HE3      LYS  27   4.441  -2.833   9.160
  203   1HZ   LYS  27           HZ3      LYS  27   2.030  -1.227   8.489
  204   2HZ   LYS  27           HZ1      LYS  27   2.373  -1.963   9.982
  205   3HZ   LYS  27           HZ2      LYS  27   3.362  -0.707   9.407
  206    H    CYS  28           HN       CYS  28   5.335   0.059   3.254
  207    HA   CYS  28           HA       CYS  28   5.162  -0.489   0.434
  208   1HB   CYS  28           HB2      CYS  28   5.936   1.792  -0.326
  209   2HB   CYS  28           HB3      CYS  28   4.302   1.755   0.353
  210    H    MET  29           HN       MET  29   7.393   0.087  -0.594
  211    HA   MET  29           HA       MET  29   9.400  -1.165   1.076
  212   1HB   MET  29           HB2      MET  29   8.522  -2.071  -1.171
  213   2HB   MET  29           HB3      MET  29   9.462  -0.781  -1.954
  214   1HG   MET  29           HG2      MET  29  11.520  -1.733  -0.678
  215   2HG   MET  29           HG3      MET  29  10.437  -3.027  -0.067
  216   1HE   MET  29           HE3      MET  29  13.200  -3.413  -1.521
  217   2HE   MET  29           HE1      MET  29  12.166  -4.743  -0.891
  218   3HE   MET  29           HE2      MET  29  12.833  -4.836  -2.557
  219    H    ASN  30           HN       ASN  30  11.012   0.287  -1.385
  220    HA   ASN  30           HA       ASN  30  11.884   2.528   0.197
  221   1HB   ASN  30           HB2      ASN  30  13.666   2.853  -1.428
  222   2HB   ASN  30           HB3      ASN  30  13.583   1.173  -0.822
  223   1HD2  ASN  30           HD22     ASN  30  13.494   1.862  -4.826
  224   2HD2  ASN  30           HD21     ASN  30  13.851   3.073  -3.638
  225    H    LYS  31           HN       LYS  31  10.059   2.089  -2.807
  226    HA   LYS  31           HA       LYS  31   9.459   4.959  -2.931
  227   1HB   LYS  31           HB2      LYS  31  10.898   3.273  -5.036
  228   2HB   LYS  31           HB3      LYS  31  10.022   4.743  -5.523
  229   1HG   LYS  31           HG2      LYS  31  12.315   4.639  -3.541
  230   2HG   LYS  31           HG3      LYS  31  12.417   5.162  -5.258
  231   1HD   LYS  31           HD2      LYS  31  10.759   6.599  -3.076
  232   2HD   LYS  31           HD3      LYS  31  12.450   6.979  -3.507
  233   1HE   LYS  31           HE2      LYS  31  11.115   8.609  -4.640
  234   2HE   LYS  31           HE3      LYS  31  11.706   7.464  -5.907
  235   1HZ   LYS  31           HZ1      LYS  31   9.545   6.386  -5.826
  236   2HZ   LYS  31           HZ2      LYS  31   9.007   7.489  -4.649
  237   3HZ   LYS  31           HZ3      LYS  31   9.416   8.038  -6.205
  238    H    LYS  32           HN       LYS  32   7.958   1.816  -3.037
  239    HA   LYS  32           HA       LYS  32   5.771   3.084  -4.462
  240   1HB   LYS  32           HB2      LYS  32   5.336   1.490  -6.031
  241   2HB   LYS  32           HB3      LYS  32   7.025   2.009  -6.276
  242   1HG   LYS  32           HG2      LYS  32   7.828  -0.038  -5.058
  243   2HG   LYS  32           HG3      LYS  32   6.117  -0.621  -4.937
  244   1HD   LYS  32           HD2      LYS  32   6.830   0.224  -7.658
  245   2HD   LYS  32           HD3      LYS  32   7.900  -1.100  -7.051
  246   1HE   LYS  32           HE2      LYS  32   5.887  -2.503  -6.492
  247   2HE   LYS  32           HE3      LYS  32   4.793  -1.191  -7.092
  248   1HZ   LYS  32           HZ3      LYS  32   6.824  -2.638  -8.712
  249   2HZ   LYS  32           HZ1      LYS  32   5.153  -2.934  -8.702
  250   3HZ   LYS  32           HZ2      LYS  32   5.746  -1.448  -9.268
  251   1HN   ABA  33           HN       ABA  33   3.791   2.176  -4.059
  252    HA   ABA  33           HA       ABA  33   3.367   1.308  -1.432
  253   1HB   ABA  33           HB3      ABA  33   1.499   1.779  -3.819
  254   2HB   ABA  33           HB2      ABA  33   2.094   3.011  -2.650
  255   1HG   ABA  33           HG1      ABA  33  -0.063   2.481  -1.856
  256   2HG   ABA  33           HG2      ABA  33   0.203   0.694  -1.975
  257   3HG   ABA  33           HG3      ABA  33   1.152   1.659  -0.790
  258    H    ARG  34           HN       ARG  34   2.481  -0.616  -0.687
  259    HA   ARG  34           HA       ARG  34   2.185  -2.864  -2.542
  260   1HB   ARG  34           HB2      ARG  34   4.571  -2.630  -1.456
  261   2HB   ARG  34           HB3      ARG  34   3.801  -3.162   0.062
  262   1HG   ARG  34           HG2      ARG  34   3.187  -5.316  -1.003
  263   2HG   ARG  34           HG3      ARG  34   3.593  -4.662  -2.634
  264   1HD   ARG  34           HD2      ARG  34   5.994  -4.471  -2.018
  265   2HD   ARG  34           HD3      ARG  34   5.633  -5.119  -0.360
  266    HE   ARG  34           HE       ARG  34   4.573  -6.967  -2.294
  267   1HH1  ARG  34           HH22     ARG  34   7.751  -5.757  -1.179
  268   2HH1  ARG  34           HH21     ARG  34   8.604  -7.195  -1.634
  269   1HH2  ARG  34           HH12     ARG  34   5.746  -8.889  -2.899
  270   2HH2  ARG  34           HH11     ARG  34   7.452  -8.993  -2.621
  271    H    CYS  35           HN       CYS  35   1.272  -4.778  -0.997
  272    HA   CYS  35           HA       CYS  35  -0.546  -3.736   0.964
  273   1HB   CYS  35           HB2      CYS  35  -1.606  -3.573  -1.467
  274   2HB   CYS  35           HB3      CYS  35  -1.831  -5.332  -1.321
  275    H    TYR  36           HN       TYR  36  -1.086  -5.260   2.365
  276    HA   TYR  36           HA       TYR  36   0.478  -7.777   2.305
  277   1HB   TYR  36           HB2      TYR  36   0.596  -5.334   4.162
  278   2HB   TYR  36           HB3      TYR  36   1.109  -6.941   4.801
  279    HD1  TYR  36           HD2      TYR  36   2.709  -8.206   2.812
  280    HD2  TYR  36           HD1      TYR  36   2.423  -4.025   3.751
  281    HE1  TYR  36           HE2      TYR  36   5.024  -7.869   2.030
  282    HE2  TYR  36           HE1      TYR  36   4.725  -3.674   2.946
  283    HH   TYR  36           HH       TYR  36   6.730  -6.420   1.780
  284    H    SER  37           HN       SER  37  -1.839  -8.427   1.798
  285    HA   SER  37           HA       SER  37  -3.769  -8.276   3.912
  286   1HB   SER  37           HB2      SER  37  -3.706  -9.969   1.348
  287   2HB   SER  37           HB3      SER  37  -5.117  -9.789   2.464
  288    HG   SER  37           HG       SER  37  -5.041  -7.560   2.025
   
  No H/Q in entry =         288
  Start of MODEL    3
    1    HA   PCA   1           HA       PGL   1  -3.804  -6.395  -3.098
    2   1HB   PCA   1           HB2      PGL   1  -2.407  -7.927  -1.132
    3   2HB   PCA   1           HB3      PGL   1  -4.179  -7.752  -1.315
    4   1HG   PCA   1           HG2      PGL   1  -2.442 -10.067  -2.255
    5   2HG   PCA   1           HG3      PGL   1  -4.145 -10.076  -1.606
    6    HN   PCA   1           HN       PGL   1  -3.929  -7.816  -5.053
    7    H    PHE   2           HN       PHE   2  -2.460  -5.920  -5.255
    8    HA   PHE   2           HA       PHE   2   0.182  -5.178  -4.336
    9   1HB   PHE   2           HB2      PHE   2  -0.441  -6.740  -6.945
   10   2HB   PHE   2           HB3      PHE   2   1.016  -5.689  -6.772
   11    HD1  PHE   2           HD1      PHE   2   2.517  -6.080  -4.691
   12    HD2  PHE   2           HD2      PHE   2  -0.275  -8.985  -6.194
   13    HE1  PHE   2           HE1      PHE   2   3.737  -7.870  -3.500
   14    HE2  PHE   2           HE2      PHE   2   0.950 -10.773  -5.003
   15    HZ   PHE   2           HZ       PHE   2   2.953 -10.220  -3.649
   16    H    THR   3           HN       THR   3   0.547  -3.118  -4.826
   17    HA   THR   3           HA       THR   3  -1.183  -1.687  -6.730
   18    HB   THR   3           HB       THR   3  -0.666   0.325  -5.112
   19    HG1  THR   3           HG1      THR   3   0.339  -0.220  -3.440
   20   1HG2  THR   3           HG22     THR   3  -2.682  -1.908  -4.463
   21   2HG2  THR   3           HG23     THR   3  -2.671  -0.296  -3.670
   22   3HG2  THR   3           HG21     THR   3  -2.922  -0.414  -5.458
   23    H    ASN   4           HN       ASN   4   0.032   0.248  -7.627
   24    HA   ASN   4           HA       ASN   4   2.923   0.050  -7.561
   25   1HB   ASN   4           HB2      ASN   4   3.058   0.052 -10.068
   26   2HB   ASN   4           HB3      ASN   4   2.504  -1.490  -9.362
   27   1HD2  ASN   4           HD22     ASN   4   0.456  -1.106 -12.355
   28   2HD2  ASN   4           HD21     ASN   4   2.092  -1.440 -11.899
   29    H    VAL   5           HN       VAL   5   1.626   1.838  -6.181
   30    HA   VAL   5           HA       VAL   5   1.568   4.342  -7.712
   31    HB   VAL   5           HB       VAL   5   1.014   4.189  -4.723
   32   1HG1  VAL   5           HG12     VAL   5  -0.198   5.756  -7.114
   33   2HG1  VAL   5           HG13     VAL   5  -0.651   5.947  -5.380
   34   3HG1  VAL   5           HG11     VAL   5   0.988   6.421  -5.925
   35   1HG2  VAL   5           HG23     VAL   5  -0.835   3.114  -6.935
   36   2HG2  VAL   5           HG21     VAL   5  -0.214   2.276  -5.450
   37   3HG2  VAL   5           HG22     VAL   5  -1.385   3.638  -5.307
   38    H    SER   6           HN       SER   6   2.630   6.136  -5.895
   39    HA   SER   6           HA       SER   6   5.367   5.183  -5.317
   40   1HB   SER   6           HB2      SER   6   6.018   7.646  -5.375
   41   2HB   SER   6           HB3      SER   6   5.616   6.858  -6.924
   42    HG   SER   6           HG       SER   6   4.678   8.907  -6.680
   43    H    CYS   7           HN       CYS   7   6.053   5.174  -3.315
   44    HA   CYS   7           HA       CYS   7   4.439   6.553  -1.202
   45   1HB   CYS   7           HB2      CYS   7   3.543   4.424  -1.221
   46   2HB   CYS   7           HB3      CYS   7   5.096   3.600  -1.199
   47    H    THR   8           HN       THR   8   5.493   7.160   0.573
   48    HA   THR   8           HA       THR   8   8.383   6.768   0.863
   49    HB   THR   8           HB       THR   8   8.521   9.105   1.871
   50    HG1  THR   8           HG1      THR   8   7.006  10.557   1.050
   51   1HG2  THR   8           HG23     THR   8   9.483   8.460  -0.355
   52   2HG2  THR   8           HG21     THR   8   7.926   8.893  -1.156
   53   3HG2  THR   8           HG22     THR   8   8.895  10.163  -0.325
   54    H    THR   9           HN       THR   9   5.213   7.636   2.354
   55    HA   THR   9           HA       THR   9   6.137   6.744   4.996
   56    HB   THR   9           HB       THR   9   4.083   8.094   5.787
   57    HG1  THR   9           HG1      THR   9   3.150   8.331   3.715
   58   1HG2  THR   9           HG21     THR   9   6.455   8.800   6.057
   59   2HG2  THR   9           HG22     THR   9   6.443   9.533   4.406
   60   3HG2  THR   9           HG23     THR   9   5.375  10.196   5.705
   61    H    SER  10           HN       SER  10   5.212   5.024   5.980
   62    HA   SER  10           HA       SER  10   3.108   3.526   4.640
   63   1HB   SER  10           HB2      SER  10   4.819   2.813   7.092
   64   2HB   SER  10           HB3      SER  10   3.618   1.730   6.272
   65    HG   SER  10           HG       SER  10   5.709   1.379   5.575
   66    H    LYS  11           HN       LYS  11   1.471   5.007   4.949
   67    HA   LYS  11           HA       LYS  11  -0.276   4.693   7.037
   68   1HB   LYS  11           HB2      LYS  11   1.250   6.222   8.368
   69   2HB   LYS  11           HB3      LYS  11   0.995   7.504   7.145
   70   1HG   LYS  11           HG2      LYS  11  -1.480   7.460   7.683
   71   2HG   LYS  11           HG3      LYS  11  -1.195   6.095   8.818
   72   1HD   LYS  11           HD2      LYS  11   0.246   7.593  10.224
   73   2HD   LYS  11           HD3      LYS  11  -0.080   8.954   9.086
   74   1HE   LYS  11           HE2      LYS  11  -2.557   8.761   9.588
   75   2HE   LYS  11           HE3      LYS  11  -2.204   7.419  10.749
   76   1HZ   LYS  11           HZ3      LYS  11  -0.862   8.954  12.022
   77   2HZ   LYS  11           HZ1      LYS  11  -1.209  10.213  10.935
   78   3HZ   LYS  11           HZ2      LYS  11  -2.458   9.511  11.851
   79    H    GLU  12           HN       GLU  12   1.108   6.727   4.438
   80    HA   GLU  12           HA       GLU  12  -1.101   7.753   3.229
   81   1HB   GLU  12           HB2      GLU  12   1.560   7.930   3.069
   82   2HB   GLU  12           HB3      GLU  12   1.404   6.881   1.667
   83   1HG   GLU  12           HG2      GLU  12  -0.101   9.566   2.071
   84   2HG   GLU  12           HG3      GLU  12   1.483   9.410   1.238
   85   1HN   ABA  13           HN       ABA  13   0.083   4.487   3.161
   86    HA   ABA  13           HA       ABA  13  -1.064   3.715   0.616
   87   1HB   ABA  13           HB3      ABA  13   0.152   1.633   0.913
   88   2HB   ABA  13           HB2      ABA  13   0.431   1.972   2.663
   89   1HG   ABA  13           HG1      ABA  13   1.914   3.857   2.115
   90   2HG   ABA  13           HG2      ABA  13   2.434   2.340   1.297
   91   3HG   ABA  13           HG3      ABA  13   1.617   3.634   0.348
   92    H    TRP  14           HN       TRP  14  -2.273   3.921   3.751
   93    HA   TRP  14           HA       TRP  14  -3.689   1.450   3.910
   94   1HB   TRP  14           HB2      TRP  14  -3.756   4.005   5.636
   95   2HB   TRP  14           HB3      TRP  14  -4.700   2.522   6.026
   96    HD1  TRP  14           HD1      TRP  14  -0.856   3.000   5.134
   97    HE1  TRP  14           HE1      TRP  14   0.361   1.245   6.429
   98    HE3  TRP  14           HE3      TRP  14  -4.743   1.290   7.992
   99    HZ2  TRP  14           HZ2      TRP  14  -0.142  -0.597   8.550
  100    HZ3  TRP  14           HZ3      TRP  14  -4.319  -0.579   9.556
  101    HH2  TRP  14           HH2      TRP  14  -2.055  -1.562   9.758
  102    H    SER  15           HN       SER  15  -4.382   4.660   2.610
  103    HA   SER  15           HA       SER  15  -7.213   4.191   2.274
  104   1HB   SER  15           HB2      SER  15  -7.165   6.517   1.267
  105   2HB   SER  15           HB3      SER  15  -6.636   6.420   2.976
  106    HG   SER  15           HG       SER  15  -4.915   6.499   0.731
  107    H    VAL  16           HN       VAL  16  -4.326   3.236   0.724
  108    HA   VAL  16           HA       VAL  16  -5.456   3.295  -1.980
  109    HB   VAL  16           HB       VAL  16  -2.661   2.432  -1.068
  110   1HG1  VAL  16           HG12     VAL  16  -3.807   3.263  -3.830
  111   2HG1  VAL  16           HG13     VAL  16  -2.098   2.814  -3.459
  112   3HG1  VAL  16           HG11     VAL  16  -3.390   1.579  -3.354
  113   1HG2  VAL  16           HG22     VAL  16  -3.685   5.176  -2.056
  114   2HG2  VAL  16           HG23     VAL  16  -3.012   4.803  -0.425
  115   3HG2  VAL  16           HG21     VAL  16  -1.955   4.705  -1.871
  116    H    CYS  17           HN       CYS  17  -4.529   1.000   0.664
  117    HA   CYS  17           HA       CYS  17  -5.102  -1.352  -0.793
  118   1HB   CYS  17           HB2      CYS  17  -4.655  -0.598   2.127
  119   2HB   CYS  17           HB3      CYS  17  -5.202  -2.254   1.741
  120    H    GLN  18           HN       GLN  18  -7.198   0.978   0.739
  121    HA   GLN  18           HA       GLN  18  -9.379  -0.809   1.263
  122   1HB   GLN  18           HB2      GLN  18  -8.484   1.217   2.604
  123   2HB   GLN  18           HB3      GLN  18  -9.348   2.275   1.471
  124   1HG   GLN  18           HG2      GLN  18 -10.707  -0.115   2.831
  125   2HG   GLN  18           HG3      GLN  18 -10.344   1.370   3.791
  126   1HE2  GLN  18           HE22     GLN  18 -13.105   3.236   2.627
  127   2HE2  GLN  18           HE21     GLN  18 -11.718   3.133   3.660
  128    H    ARG  19           HN       ARG  19  -8.637   1.952  -0.773
  129    HA   ARG  19           HA       ARG  19 -10.879   2.115  -2.405
  130   1HB   ARG  19           HB2      ARG  19  -8.001   3.087  -2.655
  131   2HB   ARG  19           HB3      ARG  19  -9.173   3.466  -3.957
  132   1HG   ARG  19           HG2      ARG  19  -9.647   4.198  -1.018
  133   2HG   ARG  19           HG3      ARG  19  -8.835   5.268  -2.208
  134   1HD   ARG  19           HD2      ARG  19 -11.711   4.178  -2.492
  135   2HD   ARG  19           HD3      ARG  19 -11.247   5.846  -1.928
  136    HE   ARG  19           HE       ARG  19  -9.896   5.608  -4.344
  137   1HH1  ARG  19           HH12     ARG  19 -13.334   5.180  -3.454
  138   2HH1  ARG  19           HH11     ARG  19 -13.927   5.653  -5.013
  139   1HH2  ARG  19           HH22     ARG  19 -10.713   6.236  -6.416
  140   2HH2  ARG  19           HH21     ARG  19 -12.419   6.260  -6.717
  141    H    LEU  20           HN       LEU  20  -8.035   0.010  -2.812
  142    HA   LEU  20           HA       LEU  20  -8.634  -0.648  -5.565
  143   1HB   LEU  20           HB2      LEU  20  -6.373  -0.819  -3.706
  144   2HB   LEU  20           HB3      LEU  20  -6.597  -2.411  -4.462
  145    HG   LEU  20           HG       LEU  20  -5.017  -1.153  -5.621
  146   1HD1  LEU  20           HD13     LEU  20  -6.415  -2.745  -6.921
  147   2HD1  LEU  20           HD11     LEU  20  -7.536  -1.413  -7.389
  148   3HD1  LEU  20           HD12     LEU  20  -5.827  -1.390  -7.954
  149   1HD2  LEU  20           HD23     LEU  20  -5.753   1.177  -5.141
  150   2HD2  LEU  20           HD21     LEU  20  -5.447   0.935  -6.901
  151   3HD2  LEU  20           HD22     LEU  20  -7.139   0.996  -6.282
  152    H    HIS  21           HN       HIS  21  -8.089  -2.564  -2.572
  153    HA   HIS  21           HA       HIS  21  -9.911  -4.653  -3.513
  154   1HB   HIS  21           HB2      HIS  21  -7.681  -4.690  -1.401
  155   2HB   HIS  21           HB3      HIS  21  -8.670  -6.109  -1.931
  156    HD1  HIS  21           HD1      HIS  21  -8.371  -6.638  -4.663
  157    HD2  HIS  21           HD2      HIS  21  -5.487  -4.115  -2.956
  158    HE1  HIS  21           HE1      HIS  21  -6.406  -6.463  -6.287
  159    H    ASN  22           HN       ASN  22  -9.153  -4.620  -0.184
  160    HA   ASN  22           HA       ASN  22 -11.086  -3.059   0.956
  161   1HB   ASN  22           HB2      ASN  22 -12.888  -4.707   1.655
  162   2HB   ASN  22           HB3      ASN  22 -12.949  -4.196  -0.048
  163   1HD2  ASN  22           HD22     ASN  22 -13.775  -7.748  -0.153
  164   2HD2  ASN  22           HD21     ASN  22 -14.448  -6.241   0.371
  165    H    THR  23           HN       THR  23  -8.758  -3.142   1.831
  166    HA   THR  23           HA       THR  23  -8.915  -4.643   4.292
  167    HB   THR  23           HB       THR  23  -7.660  -6.141   2.661
  168    HG1  THR  23           HG1      THR  23  -7.511  -6.295   4.877
  169   1HG2  THR  23           HG21     THR  23  -6.309  -4.345   1.487
  170   2HG2  THR  23           HG22     THR  23  -5.380  -4.082   3.022
  171   3HG2  THR  23           HG23     THR  23  -5.296  -5.657   2.193
  172    H    SER  24           HN       SER  24  -6.581  -3.824   5.448
  173    HA   SER  24           HA       SER  24  -6.560  -0.891   5.190
  174   1HB   SER  24           HB2      SER  24  -6.740  -2.522   7.814
  175   2HB   SER  24           HB3      SER  24  -6.463  -0.735   7.695
  176    HG   SER  24           HG       SER  24  -8.601  -1.258   8.067
  177    H    ARG  25           HN       ARG  25  -4.901  -4.002   5.463
  178    HA   ARG  25           HA       ARG  25  -2.535  -2.865   6.671
  179   1HB   ARG  25           HB2      ARG  25  -3.181  -5.757   5.872
  180   2HB   ARG  25           HB3      ARG  25  -1.690  -5.193   6.696
  181   1HG   ARG  25           HG2      ARG  25  -2.907  -6.105   8.410
  182   2HG   ARG  25           HG3      ARG  25  -3.167  -4.344   8.610
  183   1HD   ARG  25           HD2      ARG  25  -5.259  -5.732   9.027
  184   2HD   ARG  25           HD3      ARG  25  -5.478  -4.571   7.674
  185    HE   ARG  25           HE       ARG  25  -5.530  -6.311   6.100
  186   1HH1  ARG  25           HH22     ARG  25  -4.655  -7.699   9.288
  187   2HH1  ARG  25           HH21     ARG  25  -4.835  -9.338   8.757
  188   1HH2  ARG  25           HH12     ARG  25  -5.766  -8.508   5.432
  189   2HH2  ARG  25           HH11     ARG  25  -5.472  -9.804   6.545
  190    H    GLY  26           HN       GLY  26  -0.889  -2.264   5.577
  191   1HA   GLY  26           HA1      GLY  26  -0.020  -3.047   3.021
  192   2HA   GLY  26           HA2      GLY  26  -1.113  -1.594   2.936
  193    H    LYS  27           HN       LYS  27   1.958  -2.237   2.754
  194    HA   LYS  27           HA       LYS  27   2.947   0.080   4.211
  195   1HB   LYS  27           HB2      LYS  27   3.375  -1.570   5.889
  196   2HB   LYS  27           HB3      LYS  27   3.670  -2.859   4.682
  197   1HG   LYS  27           HG2      LYS  27   5.850  -1.977   4.126
  198   2HG   LYS  27           HG3      LYS  27   5.609  -0.533   5.189
  199   1HD   LYS  27           HD2      LYS  27   5.508  -2.020   7.183
  200   2HD   LYS  27           HD3      LYS  27   5.683  -3.470   6.137
  201   1HE   LYS  27           HE2      LYS  27   7.796  -1.216   6.425
  202   2HE   LYS  27           HE3      LYS  27   7.851  -2.829   7.247
  203   1HZ   LYS  27           HZ1      LYS  27   7.907  -3.869   5.082
  204   2HZ   LYS  27           HZ2      LYS  27   7.875  -2.354   4.312
  205   3HZ   LYS  27           HZ3      LYS  27   9.198  -2.786   5.285
  206    H    CYS  28           HN       CYS  28   5.038   0.662   3.238
  207    HA   CYS  28           HA       CYS  28   5.379  -0.408   0.490
  208   1HB   CYS  28           HB2      CYS  28   6.036   1.871  -0.261
  209   2HB   CYS  28           HB3      CYS  28   4.366   1.791   0.363
  210    H    MET  29           HN       MET  29   7.571   0.142  -0.369
  211    HA   MET  29           HA       MET  29   9.564  -0.721   1.597
  212   1HB   MET  29           HB2      MET  29   8.838  -2.054  -0.507
  213   2HB   MET  29           HB3      MET  29   9.929  -0.989  -1.410
  214   1HG   MET  29           HG2      MET  29  10.762  -2.479   1.171
  215   2HG   MET  29           HG3      MET  29  10.659  -3.346  -0.379
  216   1HE   MET  29           HE2      MET  29  12.229  -3.520  -2.117
  217   2HE   MET  29           HE3      MET  29  11.728  -1.874  -2.654
  218   3HE   MET  29           HE1      MET  29  13.472  -2.306  -2.581
  219    H    ASN  30           HN       ASN  30  11.169   0.444  -1.076
  220    HA   ASN  30           HA       ASN  30  11.946   2.839   0.317
  221   1HB   ASN  30           HB2      ASN  30  13.703   3.064  -1.489
  222   2HB   ASN  30           HB3      ASN  30  13.761   1.646  -0.401
  223   1HD2  ASN  30           HD22     ASN  30  14.523  -0.169  -3.331
  224   2HD2  ASN  30           HD21     ASN  30  15.147   0.622  -1.920
  225    H    LYS  31           HN       LYS  31  10.136   2.134  -2.622
  226    HA   LYS  31           HA       LYS  31   9.819   5.030  -3.157
  227   1HB   LYS  31           HB2      LYS  31  10.666   2.816  -5.095
  228   2HB   LYS  31           HB3      LYS  31  10.158   4.458  -5.610
  229   1HG   LYS  31           HG2      LYS  31  12.006   5.511  -4.391
  230   2HG   LYS  31           HG3      LYS  31  12.535   3.910  -3.776
  231   1HD   LYS  31           HD2      LYS  31  14.014   4.401  -5.498
  232   2HD   LYS  31           HD3      LYS  31  12.923   3.139  -6.157
  233   1HE   LYS  31           HE2      LYS  31  12.616   6.186  -6.718
  234   2HE   LYS  31           HE3      LYS  31  13.595   5.068  -7.750
  235   1HZ   LYS  31           HZ1      LYS  31  11.628   3.789  -8.179
  236   2HZ   LYS  31           HZ2      LYS  31  10.686   4.824  -7.216
  237   3HZ   LYS  31           HZ3      LYS  31  11.416   5.412  -8.633
  238    H    LYS  32           HN       LYS  32   8.042   1.869  -3.064
  239    HA   LYS  32           HA       LYS  32   5.894   3.171  -4.570
  240   1HB   LYS  32           HB2      LYS  32   5.547   1.427  -6.041
  241   2HB   LYS  32           HB3      LYS  32   7.232   1.973  -6.249
  242   1HG   LYS  32           HG2      LYS  32   8.052   0.022  -4.901
  243   2HG   LYS  32           HG3      LYS  32   6.354  -0.558  -4.719
  244   1HD   LYS  32           HD2      LYS  32   6.116  -0.588  -7.205
  245   2HD   LYS  32           HD3      LYS  32   7.877  -0.231  -7.347
  246   1HE   LYS  32           HE2      LYS  32   8.407  -2.375  -6.110
  247   2HE   LYS  32           HE3      LYS  32   6.637  -2.708  -5.931
  248   1HZ   LYS  32           HZ1      LYS  32   6.466  -2.784  -8.326
  249   2HZ   LYS  32           HZ2      LYS  32   8.131  -2.491  -8.491
  250   3HZ   LYS  32           HZ3      LYS  32   7.588  -3.919  -7.745
  251   1HN   ABA  33           HN       ABA  33   3.832   2.221  -4.241
  252    HA   ABA  33           HA       ABA  33   3.419   1.431  -1.527
  253   1HB   ABA  33           HB3      ABA  33   1.564   2.035  -3.908
  254   2HB   ABA  33           HB2      ABA  33   2.186   3.208  -2.693
  255   1HG   ABA  33           HG1      ABA  33   1.153   1.834  -0.892
  256   2HG   ABA  33           HG2      ABA  33  -0.004   2.738  -1.953
  257   3HG   ABA  33           HG3      ABA  33   0.192   0.949  -2.125
  258    H    ARG  34           HN       ARG  34   2.602  -0.514  -0.791
  259    HA   ARG  34           HA       ARG  34   2.103  -2.691  -2.696
  260   1HB   ARG  34           HB2      ARG  34   4.527  -2.480  -1.473
  261   2HB   ARG  34           HB3      ARG  34   3.679  -3.348  -0.169
  262   1HG   ARG  34           HG2      ARG  34   3.061  -5.162  -1.809
  263   2HG   ARG  34           HG3      ARG  34   3.872  -4.241  -3.119
  264   1HD   ARG  34           HD2      ARG  34   5.240  -5.395  -0.595
  265   2HD   ARG  34           HD3      ARG  34   5.334  -6.086  -2.261
  266    HE   ARG  34           HE       ARG  34   6.370  -3.333  -1.410
  267   1HH1  ARG  34           HH12     ARG  34   6.739  -6.227  -3.488
  268   2HH1  ARG  34           HH11     ARG  34   8.142  -5.611  -4.297
  269   1HH2  ARG  34           HH22     ARG  34   8.235  -2.546  -2.506
  270   2HH2  ARG  34           HH21     ARG  34   8.999  -3.499  -3.735
  271    H    CYS  35           HN       CYS  35   1.146  -4.611  -1.156
  272    HA   CYS  35           HA       CYS  35  -0.529  -3.533   0.911
  273   1HB   CYS  35           HB2      CYS  35  -1.702  -3.205  -1.443
  274   2HB   CYS  35           HB3      CYS  35  -1.937  -4.967  -1.408
  275    H    TYR  36           HN       TYR  36  -1.428  -5.255   2.149
  276    HA   TYR  36           HA       TYR  36   0.135  -7.749   2.056
  277   1HB   TYR  36           HB2      TYR  36   0.293  -5.353   3.956
  278   2HB   TYR  36           HB3      TYR  36   0.663  -6.986   4.637
  279    HD1  TYR  36           HD2      TYR  36   2.315  -8.407   2.906
  280    HD2  TYR  36           HD1      TYR  36   2.157  -4.147   3.427
  281    HE1  TYR  36           HE2      TYR  36   4.653  -8.221   2.138
  282    HE2  TYR  36           HE1      TYR  36   4.463  -3.948   2.660
  283    HH   TYR  36           HH       TYR  36   6.394  -6.846   1.724
  284    H    SER  37           HN       SER  37  -2.108  -8.455   1.497
  285    HA   SER  37           HA       SER  37  -4.075  -8.403   3.636
  286   1HB   SER  37           HB2      SER  37  -4.040  -9.834   0.921
  287   2HB   SER  37           HB3      SER  37  -5.411  -9.855   2.100
  288    HG   SER  37           HG       SER  37  -5.623  -8.294   0.479
   
  No H/Q in entry =         288
  Start of MODEL    4
    1    HA   PCA   1           HA       PGL   1  -4.121  -7.489  -5.766
    2   1HB   PCA   1           HB2      PGL   1  -4.080  -8.138  -2.958
    3   2HB   PCA   1           HB3      PGL   1  -5.290  -8.646  -4.174
    4   1HG   PCA   1           HG2      PGL   1  -2.983 -10.273  -3.070
    5   2HG   PCA   1           HG3      PGL   1  -4.608 -10.819  -3.683
    6    HN   PCA   1           HN       PGL   1  -2.523  -9.031  -6.746
    7    H    PHE   2           HN       PHE   2  -2.148  -6.439  -6.672
    8    HA   PHE   2           HA       PHE   2  -0.220  -5.487  -4.664
    9   1HB   PHE   2           HB2      PHE   2   0.345  -5.866  -7.682
   10   2HB   PHE   2           HB3      PHE   2   1.515  -5.596  -6.340
   11    HD1  PHE   2           HD1      PHE   2   1.494  -7.530  -4.463
   12    HD2  PHE   2           HD2      PHE   2  -0.013  -7.973  -8.467
   13    HE1  PHE   2           HE1      PHE   2   1.685  -9.991  -4.271
   14    HE2  PHE   2           HE2      PHE   2   0.184 -10.427  -8.274
   15    HZ   PHE   2           HZ       PHE   2   1.020 -11.443  -6.169
   16    H    THR   3           HN       THR   3   0.708  -3.325  -5.314
   17    HA   THR   3           HA       THR   3  -1.066  -1.667  -6.978
   18    HB   THR   3           HB       THR   3  -0.362   0.214  -5.333
   19    HG1  THR   3           HG1      THR   3   0.234  -0.375  -3.402
   20   1HG2  THR   3           HG22     THR   3  -2.282  -1.999  -4.367
   21   2HG2  THR   3           HG23     THR   3  -2.211  -0.306  -3.765
   22   3HG2  THR   3           HG21     THR   3  -2.665  -0.622  -5.482
   23    H    ASN   4           HN       ASN   4   0.210   0.350  -7.700
   24    HA   ASN   4           HA       ASN   4   3.067   0.096  -7.806
   25   1HB   ASN   4           HB2      ASN   4   3.052   0.358 -10.371
   26   2HB   ASN   4           HB3      ASN   4   2.737  -1.270  -9.724
   27   1HD2  ASN   4           HD22     ASN   4  -0.382  -1.664 -11.309
   28   2HD2  ASN   4           HD21     ASN   4   0.930  -2.357 -10.413
   29    H    VAL   5           HN       VAL   5   1.855   1.806  -6.265
   30    HA   VAL   5           HA       VAL   5   1.671   4.384  -7.684
   31    HB   VAL   5           HB       VAL   5   1.004   4.007  -4.740
   32   1HG1  VAL   5           HG11     VAL   5  -0.072   5.773  -7.068
   33   2HG1  VAL   5           HG12     VAL   5  -0.644   5.836  -5.361
   34   3HG1  VAL   5           HG13     VAL   5   1.025   6.358  -5.766
   35   1HG2  VAL   5           HG22     VAL   5  -0.718   3.143  -7.133
   36   2HG2  VAL   5           HG23     VAL   5  -0.211   2.197  -5.666
   37   3HG2  VAL   5           HG21     VAL   5  -1.369   3.564  -5.510
   38    H    SER   6           HN       SER   6   2.605   6.063  -5.650
   39    HA   SER   6           HA       SER   6   5.359   5.152  -5.097
   40   1HB   SER   6           HB2      SER   6   5.975   7.622  -4.979
   41   2HB   SER   6           HB3      SER   6   5.633   6.929  -6.588
   42    HG   SER   6           HG       SER   6   3.811   8.408  -4.996
   43    H    CYS   7           HN       CYS   7   6.045   5.074  -3.069
   44    HA   CYS   7           HA       CYS   7   4.453   6.451  -0.940
   45   1HB   CYS   7           HB2      CYS   7   3.368   4.430  -0.960
   46   2HB   CYS   7           HB3      CYS   7   4.833   3.470  -1.047
   47    H    THR   8           HN       THR   8   5.570   6.907   0.900
   48    HA   THR   8           HA       THR   8   8.432   6.299   1.082
   49    HB   THR   8           HB       THR   8   8.815   8.617   2.060
   50    HG1  THR   8           HG1      THR   8   6.389   9.089   0.653
   51   1HG2  THR   8           HG23     THR   8   9.643   7.843  -0.181
   52   2HG2  THR   8           HG21     THR   8   8.120   8.428  -0.947
   53   3HG2  THR   8           HG22     THR   8   9.239   9.598  -0.159
   54    H    THR   9           HN       THR   9   5.423   7.478   2.702
   55    HA   THR   9           HA       THR   9   6.333   6.357   5.270
   56    HB   THR   9           HB       THR   9   4.495   7.841   6.244
   57    HG1  THR   9           HG1      THR   9   3.455   8.251   4.232
   58   1HG2  THR   9           HG21     THR   9   6.921   8.348   6.373
   59   2HG2  THR   9           HG22     THR   9   6.855   9.166   4.764
   60   3HG2  THR   9           HG23     THR   9   5.933   9.842   6.162
   61    H    SER  10           HN       SER  10   5.243   4.728   6.228
   62    HA   SER  10           HA       SER  10   3.083   3.424   4.792
   63   1HB   SER  10           HB2      SER  10   3.480   1.525   6.405
   64   2HB   SER  10           HB3      SER  10   4.862   1.961   5.351
   65    HG   SER  10           HG       SER  10   5.463   1.612   7.491
   66    H    LYS  11           HN       LYS  11   1.688   5.220   5.205
   67    HA   LYS  11           HA       LYS  11  -0.242   4.684   7.101
   68   1HB   LYS  11           HB2      LYS  11  -0.360   6.573   8.523
   69   2HB   LYS  11           HB3      LYS  11   1.304   5.936   8.670
   70   1HG   LYS  11           HG2      LYS  11   2.104   7.790   7.119
   71   2HG   LYS  11           HG3      LYS  11   0.420   8.431   7.100
   72   1HD   LYS  11           HD2      LYS  11   0.573   8.462   9.698
   73   2HD   LYS  11           HD3      LYS  11   2.349   8.317   9.472
   74   1HE   LYS  11           HE2      LYS  11   0.493  10.535   8.334
   75   2HE   LYS  11           HE3      LYS  11   1.633  10.713   9.727
   76   1HZ   LYS  11           HZ2      LYS  11   3.451  10.269   8.216
   77   2HZ   LYS  11           HZ3      LYS  11   2.373  10.113   6.911
   78   3HZ   LYS  11           HZ1      LYS  11   2.528  11.603   7.712
   79    H    GLU  12           HN       GLU  12   1.301   6.915   4.736
   80    HA   GLU  12           HA       GLU  12  -0.790   8.354   3.863
   81   1HB   GLU  12           HB2      GLU  12   1.849   8.304   3.528
   82   2HB   GLU  12           HB3      GLU  12   1.504   7.489   2.007
   83   1HG   GLU  12           HG2      GLU  12   0.336  10.217   2.920
   84   2HG   GLU  12           HG3      GLU  12   1.829  10.025   1.933
   85   1HN   ABA  13           HN       ABA  13   0.250   5.130   2.702
   86    HA   ABA  13           HA       ABA  13  -1.644   5.150   0.453
   87   1HB   ABA  13           HB3      ABA  13   0.681   4.950  -0.130
   88   2HB   ABA  13           HB2      ABA  13  -0.192   3.451  -0.506
   89   1HG   ABA  13           HG1      ABA  13   1.664   3.961   1.920
   90   2HG   ABA  13           HG2      ABA  13   0.836   2.384   1.585
   91   3HG   ABA  13           HG3      ABA  13   2.047   3.044   0.416
   92    H    TRP  14           HN       TRP  14  -2.512   4.640   3.253
   93    HA   TRP  14           HA       TRP  14  -3.268   1.848   3.284
   94   1HB   TRP  14           HB2      TRP  14  -3.669   4.169   5.241
   95   2HB   TRP  14           HB3      TRP  14  -4.431   2.560   5.491
   96    HD1  TRP  14           HD1      TRP  14  -0.655   3.151   4.403
   97    HE1  TRP  14           HE1      TRP  14   0.697   1.580   5.820
   98    HE3  TRP  14           HE3      TRP  14  -4.336   1.671   7.641
   99    HZ2  TRP  14           HZ2      TRP  14   0.325  -0.087   8.110
  100    HZ3  TRP  14           HZ3      TRP  14  -3.779   0.003   9.378
  101    HH2  TRP  14           HH2      TRP  14  -1.490  -0.920   9.551
  102    H    SER  15           HN       SER  15  -4.690   4.855   2.089
  103    HA   SER  15           HA       SER  15  -7.370   3.785   1.962
  104   1HB   SER  15           HB2      SER  15  -7.927   6.039   0.986
  105   2HB   SER  15           HB3      SER  15  -7.222   6.093   2.634
  106    HG   SER  15           HG       SER  15  -6.328   7.631   1.278
  107    H    VAL  16           HN       VAL  16  -4.532   3.321   0.341
  108    HA   VAL  16           HA       VAL  16  -5.561   3.236  -2.379
  109    HB   VAL  16           HB       VAL  16  -2.769   2.702  -1.244
  110   1HG1  VAL  16           HG12     VAL  16  -3.744   3.084  -4.162
  111   2HG1  VAL  16           HG13     VAL  16  -2.030   2.971  -3.602
  112   3HG1  VAL  16           HG11     VAL  16  -3.105   1.549  -3.457
  113   1HG2  VAL  16           HG21     VAL  16  -4.011   5.183  -2.613
  114   2HG2  VAL  16           HG22     VAL  16  -3.496   5.073  -0.888
  115   3HG2  VAL  16           HG23     VAL  16  -2.271   4.972  -2.195
  116    H    CYS  17           HN       CYS  17  -4.530   1.047   0.308
  117    HA   CYS  17           HA       CYS  17  -5.108  -1.384  -1.160
  118   1HB   CYS  17           HB2      CYS  17  -4.366  -0.637   1.713
  119   2HB   CYS  17           HB3      CYS  17  -4.949  -2.291   1.384
  120    H    GLN  18           HN       GLN  18  -7.091   0.981   0.462
  121    HA   GLN  18           HA       GLN  18  -9.109  -0.805   1.401
  122   1HB   GLN  18           HB2      GLN  18  -8.162   1.360   2.439
  123   2HB   GLN  18           HB3      GLN  18  -9.156   2.280   1.290
  124   1HG   GLN  18           HG2      GLN  18 -10.137   0.131   3.274
  125   2HG   GLN  18           HG3      GLN  18 -10.066   1.906   3.632
  126   1HE2  GLN  18           HE22     GLN  18 -13.420   0.421   1.965
  127   2HE2  GLN  18           HE21     GLN  18 -12.221  -0.505   2.804
  128    H    ARG  19           HN       ARG  19  -8.932   1.894  -0.926
  129    HA   ARG  19           HA       ARG  19 -11.511   1.463  -2.054
  130   1HB   ARG  19           HB2      ARG  19  -9.313   3.396  -2.832
  131   2HB   ARG  19           HB3      ARG  19 -10.955   3.306  -3.590
  132   1HG   ARG  19           HG2      ARG  19 -11.996   3.522  -1.359
  133   2HG   ARG  19           HG3      ARG  19 -10.401   3.990  -0.667
  134   1HD   ARG  19           HD2      ARG  19 -10.330   6.039  -1.890
  135   2HD   ARG  19           HD3      ARG  19 -11.328   5.329  -3.247
  136    HE   ARG  19           HE       ARG  19 -13.044   5.299  -1.082
  137   1HH1  ARG  19           HH12     ARG  19 -11.319   7.794  -2.967
  138   2HH1  ARG  19           HH11     ARG  19 -12.593   8.963  -2.853
  139   1HH2  ARG  19           HH22     ARG  19 -14.729   6.919  -0.877
  140   2HH2  ARG  19           HH21     ARG  19 -14.554   8.458  -1.651
  141    H    LEU  20           HN       LEU  20  -8.418   0.009  -2.805
  142    HA   LEU  20           HA       LEU  20  -9.117  -0.650  -5.535
  143   1HB   LEU  20           HB2      LEU  20  -6.823   0.047  -5.041
  144   2HB   LEU  20           HB3      LEU  20  -6.666  -1.248  -3.815
  145    HG   LEU  20           HG       LEU  20  -6.852  -2.968  -5.523
  146   1HD1  LEU  20           HD11     LEU  20  -7.025  -0.691  -7.616
  147   2HD1  LEU  20           HD12     LEU  20  -6.788  -2.437  -7.994
  148   3HD1  LEU  20           HD13     LEU  20  -8.324  -1.886  -7.243
  149   1HD2  LEU  20           HD21     LEU  20  -4.627  -2.074  -4.955
  150   2HD2  LEU  20           HD22     LEU  20  -4.682  -2.618  -6.671
  151   3HD2  LEU  20           HD23     LEU  20  -4.753  -0.858  -6.284
  152    H    HIS  21           HN       HIS  21  -8.558  -2.275  -2.303
  153    HA   HIS  21           HA       HIS  21  -9.906  -4.687  -3.320
  154   1HB   HIS  21           HB2      HIS  21  -7.693  -4.401  -1.206
  155   2HB   HIS  21           HB3      HIS  21  -8.537  -5.932  -1.651
  156    HD1  HIS  21           HD1      HIS  21  -8.088  -6.718  -4.248
  157    HD2  HIS  21           HD2      HIS  21  -5.579  -3.675  -2.819
  158    HE1  HIS  21           HE1      HIS  21  -6.057  -6.570  -5.791
  159    H    ASN  22           HN       ASN  22  -9.214  -4.625  -0.036
  160    HA   ASN  22           HA       ASN  22 -11.271  -3.151   1.087
  161   1HB   ASN  22           HB2      ASN  22 -12.903  -4.958   1.818
  162   2HB   ASN  22           HB3      ASN  22 -12.987  -4.550   0.091
  163   1HD2  ASN  22           HD22     ASN  22 -12.392  -8.414   1.198
  164   2HD2  ASN  22           HD21     ASN  22 -12.750  -7.144   2.320
  165    H    THR  23           HN       THR  23  -8.810  -3.065   1.879
  166    HA   THR  23           HA       THR  23  -8.820  -4.499   4.387
  167    HB   THR  23           HB       THR  23  -7.599  -5.983   2.690
  168    HG1  THR  23           HG1      THR  23  -7.392  -6.143   4.903
  169   1HG2  THR  23           HG22     THR  23  -6.296  -4.140   1.515
  170   2HG2  THR  23           HG23     THR  23  -5.337  -3.915   3.040
  171   3HG2  THR  23           HG21     THR  23  -5.266  -5.470   2.162
  172    H    SER  24           HN       SER  24  -6.588  -3.627   5.506
  173    HA   SER  24           HA       SER  24  -6.392  -0.725   5.029
  174   1HB   SER  24           HB2      SER  24  -6.671  -2.084   7.789
  175   2HB   SER  24           HB3      SER  24  -6.330  -0.333   7.494
  176    HG   SER  24           HG       SER  24  -8.487  -0.754   7.912
  177    H    ARG  25           HN       ARG  25  -4.944  -3.869   5.405
  178    HA   ARG  25           HA       ARG  25  -2.490  -2.906   6.599
  179   1HB   ARG  25           HB2      ARG  25  -3.456  -5.740   5.924
  180   2HB   ARG  25           HB3      ARG  25  -1.856  -5.324   6.620
  181   1HG   ARG  25           HG2      ARG  25  -3.137  -6.087   8.415
  182   2HG   ARG  25           HG3      ARG  25  -2.944  -4.316   8.620
  183   1HD   ARG  25           HD2      ARG  25  -5.233  -5.148   9.279
  184   2HD   ARG  25           HD3      ARG  25  -5.323  -3.961   7.937
  185    HE   ARG  25           HE       ARG  25  -5.677  -5.745   6.318
  186   1HH1  ARG  25           HH12     ARG  25  -5.844  -6.890   9.718
  187   2HH1  ARG  25           HH11     ARG  25  -6.619  -8.383   9.301
  188   1HH2  ARG  25           HH22     ARG  25  -6.712  -7.765   5.813
  189   2HH2  ARG  25           HH21     ARG  25  -7.113  -8.882   7.076
  190    H    GLY  26           HN       GLY  26  -0.832  -2.438   5.489
  191   1HA   GLY  26           HA1      GLY  26   0.163  -3.399   3.111
  192   2HA   GLY  26           HA2      GLY  26  -0.955  -2.006   2.739
  193    H    LYS  27           HN       LYS  27   2.074  -2.210   2.622
  194    HA   LYS  27           HA       LYS  27   2.732   0.079   4.345
  195   1HB   LYS  27           HB2      LYS  27   4.598  -2.349   3.928
  196   2HB   LYS  27           HB3      LYS  27   4.895  -0.900   4.955
  197   1HG   LYS  27           HG2      LYS  27   3.045  -1.648   6.480
  198   2HG   LYS  27           HG3      LYS  27   2.768  -3.073   5.415
  199   1HD   LYS  27           HD2      LYS  27   5.209  -3.735   5.793
  200   2HD   LYS  27           HD3      LYS  27   5.264  -2.504   7.102
  201   1HE   LYS  27           HE2      LYS  27   3.338  -4.934   6.920
  202   2HE   LYS  27           HE3      LYS  27   4.772  -4.789   8.015
  203   1HZ   LYS  27           HZ1      LYS  27   2.353  -3.059   8.049
  204   2HZ   LYS  27           HZ2      LYS  27   2.716  -4.318   9.130
  205   3HZ   LYS  27           HZ3      LYS  27   3.694  -2.928   9.085
  206    H    CYS  28           HN       CYS  28   5.481  -0.080   3.250
  207    HA   CYS  28           HA       CYS  28   5.305  -0.481   0.428
  208   1HB   CYS  28           HB2      CYS  28   6.091   1.858  -0.213
  209   2HB   CYS  28           HB3      CYS  28   4.419   1.717   0.363
  210    H    MET  29           HN       MET  29   7.543   0.155  -0.569
  211    HA   MET  29           HA       MET  29   9.624  -0.887   1.176
  212   1HB   MET  29           HB2      MET  29   8.790  -1.883  -1.121
  213   2HB   MET  29           HB3      MET  29   9.894  -0.701  -1.847
  214   1HG   MET  29           HG2      MET  29  10.566  -2.779   0.349
  215   2HG   MET  29           HG3      MET  29  10.753  -3.084  -1.399
  216   1HE   MET  29           HE2      MET  29  13.081  -3.969  -0.147
  217   2HE   MET  29           HE3      MET  29  14.319  -2.845   0.517
  218   3HE   MET  29           HE1      MET  29  12.758  -3.068   1.377
  219    H    ASN  30           HN       ASN  30  11.125   0.613  -1.321
  220    HA   ASN  30           HA       ASN  30  11.826   2.921   0.239
  221   1HB   ASN  30           HB2      ASN  30  13.552   3.322  -1.570
  222   2HB   ASN  30           HB3      ASN  30  13.660   1.820  -0.609
  223   1HD2  ASN  30           HD22     ASN  30  14.473   0.396  -3.758
  224   2HD2  ASN  30           HD21     ASN  30  15.111   1.136  -2.329
  225    H    LYS  31           HN       LYS  31  10.049   2.360  -2.753
  226    HA   LYS  31           HA       LYS  31   9.396   5.224  -2.988
  227   1HB   LYS  31           HB2      LYS  31  10.864   3.432  -4.992
  228   2HB   LYS  31           HB3      LYS  31  10.000   4.877  -5.570
  229   1HG   LYS  31           HG2      LYS  31  12.253   4.913  -3.532
  230   2HG   LYS  31           HG3      LYS  31  12.397   5.283  -5.289
  231   1HD   LYS  31           HD2      LYS  31  10.730   6.854  -3.228
  232   2HD   LYS  31           HD3      LYS  31  12.349   7.319  -3.850
  233   1HE   LYS  31           HE2      LYS  31  11.406   7.518  -6.186
  234   2HE   LYS  31           HE3      LYS  31   9.761   7.106  -5.547
  235   1HZ   LYS  31           HZ1      LYS  31  11.420   9.434  -4.739
  236   2HZ   LYS  31           HZ2      LYS  31  10.071   9.452  -5.773
  237   3HZ   LYS  31           HZ3      LYS  31   9.880   9.040  -4.136
  238    H    LYS  32           HN       LYS  32   7.939   2.086  -2.932
  239    HA   LYS  32           HA       LYS  32   5.791   3.164  -4.552
  240   1HB   LYS  32           HB2      LYS  32   5.538   1.421  -6.018
  241   2HB   LYS  32           HB3      LYS  32   7.214   2.003  -6.204
  242   1HG   LYS  32           HG2      LYS  32   7.981   0.081  -4.675
  243   2HG   LYS  32           HG3      LYS  32   6.320  -0.605  -4.831
  244   1HD   LYS  32           HD2      LYS  32   6.560  -0.579  -7.319
  245   2HD   LYS  32           HD3      LYS  32   8.225   0.072  -7.146
  246   1HE   LYS  32           HE2      LYS  32   7.264  -2.685  -6.075
  247   2HE   LYS  32           HE3      LYS  32   8.245  -2.418  -7.573
  248   1HZ   LYS  32           HZ1      LYS  32   9.975  -1.468  -6.205
  249   2HZ   LYS  32           HZ2      LYS  32   9.051  -1.710  -4.801
  250   3HZ   LYS  32           HZ3      LYS  32   9.592  -3.045  -5.703
  251   1HN   ABA  33           HN       ABA  33   3.755   2.089  -4.206
  252    HA   ABA  33           HA       ABA  33   3.384   1.416  -1.488
  253   1HB   ABA  33           HB3      ABA  33   1.491   1.632  -3.870
  254   2HB   ABA  33           HB2      ABA  33   1.930   2.903  -2.672
  255   1HG   ABA  33           HG1      ABA  33   1.002   1.515  -0.834
  256   2HG   ABA  33           HG2      ABA  33  -0.234   2.067  -2.040
  257   3HG   ABA  33           HG3      ABA  33   0.326   0.355  -2.022
  258    H    ARG  34           HN       ARG  34   2.544  -0.550  -0.646
  259    HA   ARG  34           HA       ARG  34   2.423  -2.892  -2.386
  260   1HB   ARG  34           HB2      ARG  34   4.732  -2.476  -1.021
  261   2HB   ARG  34           HB3      ARG  34   3.802  -3.130   0.347
  262   1HG   ARG  34           HG2      ARG  34   5.122  -4.861  -0.742
  263   2HG   ARG  34           HG3      ARG  34   3.392  -5.237  -1.061
  264   1HD   ARG  34           HD2      ARG  34   3.570  -4.401  -3.378
  265   2HD   ARG  34           HD3      ARG  34   5.202  -3.707  -3.070
  266    HE   ARG  34           HE       ARG  34   4.450  -6.597  -3.455
  267   1HH1  ARG  34           HH22     ARG  34   7.052  -4.276  -2.639
  268   2HH1  ARG  34           HH21     ARG  34   8.329  -5.387  -3.009
  269   1HH2  ARG  34           HH12     ARG  34   6.187  -8.058  -3.947
  270   2HH2  ARG  34           HH11     ARG  34   7.832  -7.553  -3.758
  271    H    CYS  35           HN       CYS  35   1.420  -4.764  -0.921
  272    HA   CYS  35           HA       CYS  35  -0.553  -3.723   0.897
  273   1HB   CYS  35           HB2      CYS  35  -1.366  -3.617  -1.651
  274   2HB   CYS  35           HB3      CYS  35  -1.662  -5.357  -1.447
  275    H    TYR  36           HN       TYR  36  -1.233  -5.261   2.254
  276    HA   TYR  36           HA       TYR  36   0.197  -7.849   2.276
  277   1HB   TYR  36           HB2      TYR  36   0.487  -5.441   4.173
  278   2HB   TYR  36           HB3      TYR  36   0.901  -7.104   4.755
  279    HD1  TYR  36           HD2      TYR  36   2.430  -8.454   2.933
  280    HD2  TYR  36           HD1      TYR  36   2.260  -4.205   3.452
  281    HE1  TYR  36           HE2      TYR  36   4.700  -8.245   1.971
  282    HE2  TYR  36           HE1      TYR  36   4.506  -3.973   2.479
  283    HH   TYR  36           HH       TYR  36   6.366  -6.851   1.374
  284    H    SER  37           HN       SER  37  -2.150  -8.278   1.749
  285    HA   SER  37           HA       SER  37  -3.966  -8.099   4.035
  286   1HB   SER  37           HB2      SER  37  -4.771  -7.540   1.705
  287   2HB   SER  37           HB3      SER  37  -4.459  -9.245   1.225
  288    HG   SER  37           HG       SER  37  -6.610  -8.806   1.869
   
  No H/Q in entry =         288
  Start of MODEL    5
    1    HA   PCA   1           HA       PGL   1  -3.317  -8.287  -4.894
    2   1HB   PCA   1           HB2      PGL   1  -0.505  -9.011  -5.805
    3   2HB   PCA   1           HB3      PGL   1  -1.811 -10.066  -5.157
    4   1HG   PCA   1           HG2      PGL   1  -1.018  -9.755  -7.911
    5   2HG   PCA   1           HG3      PGL   1  -2.556 -10.542  -7.332
    6    HN   PCA   1           HN       PGL   1  -3.526  -6.724  -6.848
    7    H    PHE   2           HN       PHE   2  -0.698  -6.492  -6.591
    8    HA   PHE   2           HA       PHE   2  -0.089  -4.891  -4.194
    9   1HB   PHE   2           HB2      PHE   2   1.772  -5.581  -6.570
   10   2HB   PHE   2           HB3      PHE   2   2.216  -4.731  -5.041
   11    HD1  PHE   2           HD1      PHE   2   1.131  -6.370  -2.886
   12    HD2  PHE   2           HD2      PHE   2   2.781  -7.627  -6.657
   13    HE1  PHE   2           HE1      PHE   2   1.728  -8.546  -1.902
   14    HE2  PHE   2           HE2      PHE   2   3.368  -9.813  -5.665
   15    HZ   PHE   2           HZ       PHE   2   2.848 -10.276  -3.284
   16    H    THR   3           HN       THR   3   0.676  -2.623  -4.870
   17    HA   THR   3           HA       THR   3  -1.008  -1.672  -7.086
   18    HB   THR   3           HB       THR   3  -1.751   0.060  -5.968
   19    HG1  THR   3           HG1      THR   3   0.384   0.154  -4.144
   20   1HG2  THR   3           HG23     THR   3  -2.245  -2.054  -4.544
   21   2HG2  THR   3           HG21     THR   3  -0.874  -1.588  -3.488
   22   3HG2  THR   3           HG22     THR   3  -2.305  -0.513  -3.632
   23    H    ASN   4           HN       ASN   4  -0.152   0.552  -7.968
   24    HA   ASN   4           HA       ASN   4   2.761   0.628  -8.197
   25   1HB   ASN   4           HB2      ASN   4   2.504   1.138 -10.692
   26   2HB   ASN   4           HB3      ASN   4   2.256  -0.559 -10.209
   27   1HD2  ASN   4           HD22     ASN   4  -1.094  -0.794 -11.343
   28   2HD2  ASN   4           HD21     ASN   4   0.227  -1.558 -10.520
   29    H    VAL   5           HN       VAL   5   1.262   1.957  -6.403
   30    HA   VAL   5           HA       VAL   5   1.202   4.775  -7.257
   31    HB   VAL   5           HB       VAL   5   0.091   3.173  -4.891
   32   1HG1  VAL   5           HG13     VAL   5   0.250   6.243  -5.154
   33   2HG1  VAL   5           HG11     VAL   5  -0.849   5.355  -4.028
   34   3HG1  VAL   5           HG12     VAL   5   0.926   5.199  -3.830
   35   1HG2  VAL   5           HG22     VAL   5  -1.183   4.920  -7.100
   36   2HG2  VAL   5           HG23     VAL   5  -1.256   3.122  -6.975
   37   3HG2  VAL   5           HG21     VAL   5  -2.079   4.144  -5.745
   38    H    SER   6           HN       SER   6   2.571   6.240  -5.803
   39    HA   SER   6           HA       SER   6   5.047   4.905  -5.034
   40   1HB   SER   6           HB2      SER   6   6.020   7.242  -4.985
   41   2HB   SER   6           HB3      SER   6   5.461   6.616  -6.563
   42    HG   SER   6           HG       SER   6   4.006   8.350  -4.855
   43    H    CYS   7           HN       CYS   7   5.959   4.950  -2.986
   44    HA   CYS   7           HA       CYS   7   4.453   6.333  -0.818
   45   1HB   CYS   7           HB2      CYS   7   3.217   4.444  -0.837
   46   2HB   CYS   7           HB3      CYS   7   4.566   3.346  -1.014
   47    H    THR   8           HN       THR   8   5.625   6.739   0.945
   48    HA   THR   8           HA       THR   8   8.441   5.953   1.130
   49    HB   THR   8           HB       THR   8   8.947   8.248   2.125
   50    HG1  THR   8           HG1      THR   8   6.557   8.856   0.715
   51   1HG2  THR   8           HG23     THR   8   9.723   7.458  -0.134
   52   2HG2  THR   8           HG21     THR   8   8.220   8.113  -0.879
   53   3HG2  THR   8           HG22     THR   8   9.394   9.229  -0.093
   54    H    THR   9           HN       THR   9   5.454   7.195   2.754
   55    HA   THR   9           HA       THR   9   6.367   6.063   5.319
   56    HB   THR   9           HB       THR   9   4.572   7.637   6.286
   57    HG1  THR   9           HG1      THR   9   4.929   8.783   3.712
   58   1HG2  THR   9           HG21     THR   9   7.039   7.982   6.466
   59   2HG2  THR   9           HG22     THR   9   7.042   8.839   4.876
   60   3HG2  THR   9           HG23     THR   9   6.139   9.534   6.277
   61    H    SER  10           HN       SER  10   5.131   4.605   6.402
   62    HA   SER  10           HA       SER  10   2.886   3.355   5.041
   63   1HB   SER  10           HB2      SER  10   4.700   1.909   5.831
   64   2HB   SER  10           HB3      SER  10   4.523   2.532   7.514
   65    HG   SER  10           HG       SER  10   2.387   1.652   7.429
   66    H    LYS  11           HN       LYS  11   1.480   5.112   5.240
   67    HA   LYS  11           HA       LYS  11  -0.411   4.996   7.212
   68   1HB   LYS  11           HB2      LYS  11   1.151   6.261   8.701
   69   2HB   LYS  11           HB3      LYS  11   1.323   7.547   7.465
   70   1HG   LYS  11           HG2      LYS  11  -0.999   8.246   7.808
   71   2HG   LYS  11           HG3      LYS  11  -1.384   6.722   8.686
   72   1HD   LYS  11           HD2      LYS  11  -1.253   8.565  10.264
   73   2HD   LYS  11           HD3      LYS  11   0.058   7.376  10.575
   74   1HE   LYS  11           HE2      LYS  11   1.724   8.912   9.459
   75   2HE   LYS  11           HE3      LYS  11   0.394  10.094   9.116
   76   1HZ   LYS  11           HZ3      LYS  11   1.255   9.163  11.805
   77   2HZ   LYS  11           HZ1      LYS  11   1.652  10.646  11.080
   78   3HZ   LYS  11           HZ2      LYS  11   0.035  10.297  11.472
   79    H    GLU  12           HN       GLU  12   1.380   6.931   4.772
   80    HA   GLU  12           HA       GLU  12  -0.384   8.448   3.563
   81   1HB   GLU  12           HB2      GLU  12   2.147   8.061   3.425
   82   2HB   GLU  12           HB3      GLU  12   1.846   6.784   2.226
   83   1HG   GLU  12           HG2      GLU  12   0.691   8.572   0.769
   84   2HG   GLU  12           HG3      GLU  12   1.140   9.773   2.044
   85   1HN   ABA  13           HN       ABA  13   0.208   5.001   2.783
   86    HA   ABA  13           HA       ABA  13  -1.646   5.091   0.487
   87   1HB   ABA  13           HB3      ABA  13   0.751   4.868  -0.047
   88   2HB   ABA  13           HB2      ABA  13  -0.187   3.448  -0.537
   89   1HG   ABA  13           HG1      ABA  13   2.004   2.886   0.432
   90   2HG   ABA  13           HG2      ABA  13   1.589   3.700   1.985
   91   3HG   ABA  13           HG3      ABA  13   0.724   2.180   1.490
   92    H    TRP  14           HN       TRP  14  -2.381   4.525   3.350
   93    HA   TRP  14           HA       TRP  14  -3.129   1.732   3.333
   94   1HB   TRP  14           HB2      TRP  14  -3.422   4.014   5.366
   95   2HB   TRP  14           HB3      TRP  14  -4.163   2.398   5.632
   96    HD1  TRP  14           HD1      TRP  14  -0.463   3.077   4.340
   97    HE1  TRP  14           HE1      TRP  14   0.984   1.435   5.581
   98    HE3  TRP  14           HE3      TRP  14  -3.902   1.472   7.768
   99    HZ2  TRP  14           HZ2      TRP  14   0.779  -0.288   7.853
  100    HZ3  TRP  14           HZ3      TRP  14  -3.221  -0.235   9.423
  101    HH2  TRP  14           HH2      TRP  14  -0.920  -1.141   9.427
  102    H    SER  15           HN       SER  15  -4.609   4.748   2.282
  103    HA   SER  15           HA       SER  15  -7.251   3.597   2.089
  104   1HB   SER  15           HB2      SER  15  -7.870   5.865   1.175
  105   2HB   SER  15           HB3      SER  15  -7.213   5.890   2.842
  106    HG   SER  15           HG       SER  15  -5.201   6.452   1.980
  107    H    VAL  16           HN       VAL  16  -4.377   3.232   0.435
  108    HA   VAL  16           HA       VAL  16  -5.528   3.190  -2.253
  109    HB   VAL  16           HB       VAL  16  -2.669   2.686  -1.291
  110   1HG1  VAL  16           HG11     VAL  16  -3.860   3.024  -4.129
  111   2HG1  VAL  16           HG12     VAL  16  -2.102   3.012  -3.725
  112   3HG1  VAL  16           HG13     VAL  16  -3.075   1.534  -3.479
  113   1HG2  VAL  16           HG21     VAL  16  -4.039   5.146  -2.567
  114   2HG2  VAL  16           HG22     VAL  16  -3.426   5.039  -0.876
  115   3HG2  VAL  16           HG23     VAL  16  -2.273   4.975  -2.248
  116    H    CYS  17           HN       CYS  17  -4.528   0.976   0.406
  117    HA   CYS  17           HA       CYS  17  -5.127  -1.402  -1.181
  118   1HB   CYS  17           HB2      CYS  17  -4.117  -0.834   1.625
  119   2HB   CYS  17           HB3      CYS  17  -4.839  -2.436   1.311
  120    H    GLN  18           HN       GLN  18  -6.999   0.934   0.529
  121    HA   GLN  18           HA       GLN  18  -9.171  -0.804   1.220
  122   1HB   GLN  18           HB2      GLN  18  -8.276   1.175   2.550
  123   2HB   GLN  18           HB3      GLN  18  -8.938   2.261   1.290
  124   1HG   GLN  18           HG2      GLN  18 -11.240   1.283   1.733
  125   2HG   GLN  18           HG3      GLN  18 -10.506   0.222   2.999
  126   1HE2  GLN  18           HE22     GLN  18  -9.732   3.042   5.247
  127   2HE2  GLN  18           HE21     GLN  18  -9.028   1.582   4.639
  128    H    ARG  19           HN       ARG  19  -8.213   1.546  -1.304
  129    HA   ARG  19           HA       ARG  19 -10.768   1.638  -2.621
  130   1HB   ARG  19           HB2      ARG  19  -8.024   2.874  -3.109
  131   2HB   ARG  19           HB3      ARG  19  -9.344   3.076  -4.309
  132   1HG   ARG  19           HG2      ARG  19  -9.802   3.794  -1.376
  133   2HG   ARG  19           HG3      ARG  19  -8.947   4.919  -2.477
  134   1HD   ARG  19           HD2      ARG  19 -11.743   3.763  -3.096
  135   2HD   ARG  19           HD3      ARG  19 -11.484   5.323  -2.224
  136    HE   ARG  19           HE       ARG  19 -10.939   4.723  -5.116
  137   1HH1  ARG  19           HH22     ARG  19 -10.528   7.072  -2.446
  138   2HH1  ARG  19           HH21     ARG  19 -10.126   8.389  -3.494
  139   1HH2  ARG  19           HH12     ARG  19 -10.393   6.511  -6.499
  140   2HH2  ARG  19           HH11     ARG  19 -10.048   8.064  -5.821
  141    H    LEU  20           HN       LEU  20  -7.751  -0.257  -2.979
  142    HA   LEU  20           HA       LEU  20  -8.417  -1.113  -5.656
  143   1HB   LEU  20           HB2      LEU  20  -6.088  -0.531  -5.121
  144   2HB   LEU  20           HB3      LEU  20  -6.061  -1.741  -3.805
  145    HG   LEU  20           HG       LEU  20  -6.379  -3.562  -5.438
  146   1HD1  LEU  20           HD12     LEU  20  -7.628  -2.415  -7.282
  147   2HD1  LEU  20           HD13     LEU  20  -6.177  -1.406  -7.648
  148   3HD1  LEU  20           HD11     LEU  20  -6.134  -3.191  -7.908
  149   1HD2  LEU  20           HD21     LEU  20  -4.113  -2.938  -4.787
  150   2HD2  LEU  20           HD22     LEU  20  -4.132  -3.494  -6.500
  151   3HD2  LEU  20           HD23     LEU  20  -4.010  -1.732  -6.129
  152    H    HIS  21           HN       HIS  21  -8.178  -2.467  -2.268
  153    HA   HIS  21           HA       HIS  21  -9.559  -4.902  -3.162
  154   1HB   HIS  21           HB2      HIS  21  -7.471  -4.496  -0.933
  155   2HB   HIS  21           HB3      HIS  21  -8.360  -6.027  -1.277
  156    HD1  HIS  21           HD1      HIS  21  -7.787  -7.128  -3.699
  157    HD2  HIS  21           HD2      HIS  21  -5.206  -4.036  -2.504
  158    HE1  HIS  21           HE1      HIS  21  -5.664  -7.259  -5.118
  159    H    ASN  22           HN       ASN  22  -9.124  -4.617   0.120
  160    HA   ASN  22           HA       ASN  22 -11.113  -2.907   0.992
  161   1HB   ASN  22           HB2      ASN  22 -12.910  -4.624   1.733
  162   2HB   ASN  22           HB3      ASN  22 -12.920  -4.140   0.026
  163   1HD2  ASN  22           HD22     ASN  22 -12.508  -7.385  -1.290
  164   2HD2  ASN  22           HD21     ASN  22 -12.737  -5.693  -1.580
  165    H    THR  23           HN       THR  23  -8.744  -2.942   1.936
  166    HA   THR  23           HA       THR  23  -8.921  -4.315   4.475
  167    HB   THR  23           HB       THR  23  -7.766  -5.898   2.822
  168    HG1  THR  23           HG1      THR  23  -7.660  -6.072   5.023
  169   1HG2  THR  23           HG21     THR  23  -6.283  -4.207   1.658
  170   2HG2  THR  23           HG22     THR  23  -5.357  -4.001   3.202
  171   3HG2  THR  23           HG23     THR  23  -5.385  -5.590   2.385
  172    H    SER  24           HN       SER  24  -6.373  -3.546   5.400
  173    HA   SER  24           HA       SER  24  -6.449  -0.619   5.197
  174   1HB   SER  24           HB2      SER  24  -6.374  -0.381   7.684
  175   2HB   SER  24           HB3      SER  24  -7.923  -1.052   7.074
  176    HG   SER  24           HG       SER  24  -5.851  -2.343   8.457
  177    H    ARG  25           HN       ARG  25  -4.737  -3.676   5.895
  178    HA   ARG  25           HA       ARG  25  -2.283  -2.297   6.524
  179   1HB   ARG  25           HB2      ARG  25  -1.388  -4.662   6.894
  180   2HB   ARG  25           HB3      ARG  25  -2.554  -3.985   8.052
  181   1HG   ARG  25           HG2      ARG  25  -3.649  -5.678   5.776
  182   2HG   ARG  25           HG3      ARG  25  -2.804  -6.480   7.139
  183   1HD   ARG  25           HD2      ARG  25  -4.336  -5.681   8.793
  184   2HD   ARG  25           HD3      ARG  25  -5.052  -4.462   7.662
  185    HE   ARG  25           HE       ARG  25  -5.793  -6.443   6.221
  186   1HH1  ARG  25           HH22     ARG  25  -5.512  -6.805   9.781
  187   2HH1  ARG  25           HH21     ARG  25  -6.747  -8.016   9.874
  188   1HH2  ARG  25           HH12     ARG  25  -7.436  -8.068   6.392
  189   2HH2  ARG  25           HH11     ARG  25  -7.849  -8.737   7.937
  190    H    GLY  26           HN       GLY  26  -0.732  -2.000   5.162
  191   1HA   GLY  26           HA1      GLY  26   0.050  -3.224   2.863
  192   2HA   GLY  26           HA2      GLY  26  -1.331  -2.119   2.419
  193    H    LYS  27           HN       LYS  27   1.991  -2.361   3.100
  194    HA   LYS  27           HA       LYS  27   2.399   0.363   4.025
  195   1HB   LYS  27           HB2      LYS  27   4.314  -2.064   4.157
  196   2HB   LYS  27           HB3      LYS  27   4.421  -0.509   5.059
  197   1HG   LYS  27           HG2      LYS  27   2.261  -1.197   6.257
  198   2HG   LYS  27           HG3      LYS  27   2.346  -2.769   5.393
  199   1HD   LYS  27           HD2      LYS  27   4.677  -3.108   6.379
  200   2HD   LYS  27           HD3      LYS  27   4.391  -1.664   7.407
  201   1HE   LYS  27           HE2      LYS  27   2.689  -4.265   7.374
  202   2HE   LYS  27           HE3      LYS  27   3.890  -3.791   8.644
  203   1HZ   LYS  27           HZ2      LYS  27   2.530  -1.876   9.137
  204   2HZ   LYS  27           HZ3      LYS  27   1.405  -2.321   7.945
  205   3HZ   LYS  27           HZ1      LYS  27   1.646  -3.319   9.298
  206    H    CYS  28           HN       CYS  28   5.339  -0.104   3.257
  207    HA   CYS  28           HA       CYS  28   5.324  -0.573   0.433
  208   1HB   CYS  28           HB2      CYS  28   6.253   1.748  -0.195
  209   2HB   CYS  28           HB3      CYS  28   4.546   1.634   0.247
  210    H    MET  29           HN       MET  29   7.526  -0.075  -0.502
  211    HA   MET  29           HA       MET  29   9.660  -0.958   1.253
  212   1HB   MET  29           HB2      MET  29   8.895  -1.989  -1.037
  213   2HB   MET  29           HB3      MET  29   9.845  -0.701  -1.791
  214   1HG   MET  29           HG2      MET  29  10.886  -2.710   0.335
  215   2HG   MET  29           HG3      MET  29  10.852  -3.040  -1.414
  216   1HE   MET  29           HE2      MET  29  12.323  -0.560   1.343
  217   2HE   MET  29           HE3      MET  29  13.062  -2.197   1.393
  218   3HE   MET  29           HE1      MET  29  14.058  -0.772   0.934
  219    H    ASN  30           HN       ASN  30  11.130   0.631  -1.213
  220    HA   ASN  30           HA       ASN  30  11.558   3.030   0.311
  221   1HB   ASN  30           HB2      ASN  30  13.370   3.538  -1.316
  222   2HB   ASN  30           HB3      ASN  30  13.517   2.003  -0.417
  223   1HD2  ASN  30           HD22     ASN  30  14.673   0.989  -3.661
  224   2HD2  ASN  30           HD21     ASN  30  15.166   1.806  -2.213
  225    H    LYS  31           HN       LYS  31   9.910   2.224  -2.706
  226    HA   LYS  31           HA       LYS  31   9.220   5.056  -3.139
  227   1HB   LYS  31           HB2      LYS  31  10.689   3.157  -5.023
  228   2HB   LYS  31           HB3      LYS  31   9.842   4.581  -5.668
  229   1HG   LYS  31           HG2      LYS  31  12.094   4.658  -3.629
  230   2HG   LYS  31           HG3      LYS  31  12.257   4.982  -5.389
  231   1HD   LYS  31           HD2      LYS  31  10.522   6.686  -3.473
  232   2HD   LYS  31           HD3      LYS  31  12.249   6.977  -3.810
  233   1HE   LYS  31           HE2      LYS  31  11.017   8.504  -5.198
  234   2HE   LYS  31           HE3      LYS  31  11.727   7.245  -6.286
  235   1HZ   LYS  31           HZ3      LYS  31   8.919   7.364  -5.304
  236   2HZ   LYS  31           HZ1      LYS  31   9.473   7.772  -6.858
  237   3HZ   LYS  31           HZ2      LYS  31   9.572   6.166  -6.317
  238    H    LYS  32           HN       LYS  32   7.844   1.770  -3.126
  239    HA   LYS  32           HA       LYS  32   5.562   3.037  -4.398
  240   1HB   LYS  32           HB2      LYS  32   5.100   1.523  -5.980
  241   2HB   LYS  32           HB3      LYS  32   6.858   1.744  -6.192
  242   1HG   LYS  32           HG2      LYS  32   7.241  -0.404  -4.861
  243   2HG   LYS  32           HG3      LYS  32   5.449  -0.621  -4.789
  244   1HD   LYS  32           HD2      LYS  32   5.394  -0.431  -7.301
  245   2HD   LYS  32           HD3      LYS  32   7.190  -0.615  -7.272
  246   1HE   LYS  32           HE2      LYS  32   6.933  -2.857  -6.117
  247   2HE   LYS  32           HE3      LYS  32   5.139  -2.622  -6.051
  248   1HZ   LYS  32           HZ3      LYS  32   5.099  -2.610  -8.443
  249   2HZ   LYS  32           HZ1      LYS  32   6.781  -2.844  -8.516
  250   3HZ   LYS  32           HZ2      LYS  32   5.783  -4.044  -7.845
  251   1HN   ABA  33           HN       ABA  33   3.614   2.186  -3.874
  252    HA   ABA  33           HA       ABA  33   3.267   1.104  -1.288
  253   1HB   ABA  33           HB3      ABA  33   1.453   1.935  -3.583
  254   2HB   ABA  33           HB2      ABA  33   1.866   2.859  -2.125
  255   1HG   ABA  33           HG1      ABA  33   0.732   1.155  -0.693
  256   2HG   ABA  33           HG2      ABA  33  -0.388   1.958  -1.878
  257   3HG   ABA  33           HG3      ABA  33   0.158   0.271  -2.160
  258    H    ARG  34           HN       ARG  34   2.745  -0.960  -0.723
  259    HA   ARG  34           HA       ARG  34   2.204  -2.985  -2.791
  260   1HB   ARG  34           HB2      ARG  34   4.533  -2.854  -1.247
  261   2HB   ARG  34           HB3      ARG  34   3.525  -3.946  -0.259
  262   1HG   ARG  34           HG2      ARG  34   3.044  -5.239  -2.438
  263   2HG   ARG  34           HG3      ARG  34   4.306  -4.243  -3.232
  264   1HD   ARG  34           HD2      ARG  34   4.713  -6.129  -0.804
  265   2HD   ARG  34           HD3      ARG  34   5.175  -6.464  -2.530
  266    HE   ARG  34           HE       ARG  34   6.282  -3.970  -1.282
  267   1HH1  ARG  34           HH22     ARG  34   6.869  -7.403  -2.114
  268   2HH1  ARG  34           HH21     ARG  34   8.573  -7.315  -1.812
  269   1HH2  ARG  34           HH12     ARG  34   8.566  -3.887  -0.877
  270   2HH2  ARG  34           HH11     ARG  34   9.547  -5.297  -1.101
  271    H    CYS  35           HN       CYS  35   1.407  -5.010  -1.027
  272    HA   CYS  35           HA       CYS  35  -0.533  -3.891   0.768
  273   1HB   CYS  35           HB2      CYS  35  -1.473  -4.197  -1.768
  274   2HB   CYS  35           HB3      CYS  35  -1.753  -5.858  -1.213
  275    H    TYR  36           HN       TYR  36  -1.135  -5.328   2.282
  276    HA   TYR  36           HA       TYR  36   0.485  -7.779   2.563
  277   1HB   TYR  36           HB2      TYR  36   0.663  -5.125   4.121
  278   2HB   TYR  36           HB3      TYR  36   1.195  -6.658   4.916
  279    HD1  TYR  36           HD2      TYR  36   2.732  -8.174   3.156
  280    HD2  TYR  36           HD1      TYR  36   2.398  -3.908   3.327
  281    HE1  TYR  36           HE2      TYR  36   5.024  -7.955   2.227
  282    HE2  TYR  36           HE1      TYR  36   4.666  -3.665   2.400
  283    HH   TYR  36           HH       TYR  36   6.671  -6.555   1.628
  284    H    SER  37           HN       SER  37  -1.902  -8.325   2.154
  285    HA   SER  37           HA       SER  37  -3.655  -7.923   4.453
  286   1HB   SER  37           HB2      SER  37  -4.517  -7.626   2.108
  287   2HB   SER  37           HB3      SER  37  -4.192  -9.366   1.793
  288    HG   SER  37           HG       SER  37  -6.326  -8.939   2.424
   
  No H/Q in entry =         288
  Start of MODEL    6
    1    HA   PCA   1           HA       PGL   1  -3.175  -8.236  -5.172
    2   1HB   PCA   1           HB2      PGL   1  -2.618  -8.561  -2.158
    3   2HB   PCA   1           HB3      PGL   1  -4.179  -8.763  -3.042
    4   1HG   PCA   1           HG2      PGL   1  -2.525 -10.886  -2.239
    5   2HG   PCA   1           HG3      PGL   1  -3.540 -10.976  -3.751
    6    HN   PCA   1           HN       PGL   1  -0.681  -8.871  -5.340
    7    H    PHE   2           HN       PHE   2  -0.531  -7.107  -5.592
    8    HA   PHE   2           HA       PHE   2  -0.142  -4.967  -3.648
    9   1HB   PHE   2           HB2      PHE   2   1.678  -5.801  -6.001
   10   2HB   PHE   2           HB3      PHE   2   2.115  -4.778  -4.579
   11    HD1  PHE   2           HD1      PHE   2   1.880  -5.903  -2.232
   12    HD2  PHE   2           HD2      PHE   2   2.013  -8.099  -5.921
   13    HE1  PHE   2           HE1      PHE   2   2.527  -7.952  -0.997
   14    HE2  PHE   2           HE2      PHE   2   2.661 -10.138  -4.687
   15    HZ   PHE   2           HZ       PHE   2   2.916 -10.070  -2.219
   16    H    THR   3           HN       THR   3   0.452  -2.786  -4.477
   17    HA   THR   3           HA       THR   3  -1.035  -1.992  -6.888
   18    HB   THR   3           HB       THR   3  -1.114   0.251  -5.938
   19    HG1  THR   3           HG1      THR   3  -0.394   0.567  -3.813
   20   1HG2  THR   3           HG22     THR   3  -2.874  -1.521  -5.345
   21   2HG2  THR   3           HG23     THR   3  -1.994  -1.807  -3.797
   22   3HG2  THR   3           HG21     THR   3  -2.697  -0.193  -4.124
   23    H    ASN   4           HN       ASN   4   0.171   0.241  -7.718
   24    HA   ASN   4           HA       ASN   4   3.054  -0.002  -7.740
   25   1HB   ASN   4           HB2      ASN   4   3.038   0.078 -10.335
   26   2HB   ASN   4           HB3      ASN   4   2.722  -1.496  -9.562
   27   1HD2  ASN   4           HD22     ASN   4  -0.243   0.307 -11.842
   28   2HD2  ASN   4           HD21     ASN   4   1.171   1.195 -11.386
   29    H    VAL   5           HN       VAL   5   1.528   1.781  -6.371
   30    HA   VAL   5           HA       VAL   5   1.647   4.288  -7.885
   31    HB   VAL   5           HB       VAL   5   1.069   4.266  -4.909
   32   1HG1  VAL   5           HG13     VAL   5  -0.146   5.684  -7.384
   33   2HG1  VAL   5           HG11     VAL   5  -0.561   6.001  -5.658
   34   3HG1  VAL   5           HG12     VAL   5   1.080   6.397  -6.271
   35   1HG2  VAL   5           HG22     VAL   5  -0.824   3.074  -7.026
   36   2HG2  VAL   5           HG23     VAL   5  -0.176   2.299  -5.514
   37   3HG2  VAL   5           HG21     VAL   5  -1.322   3.680  -5.408
   38    H    SER   6           HN       SER   6   2.796   6.099  -6.179
   39    HA   SER   6           HA       SER   6   5.398   4.960  -5.337
   40   1HB   SER   6           HB2      SER   6   6.275   7.354  -5.491
   41   2HB   SER   6           HB3      SER   6   5.964   6.476  -7.012
   42    HG   SER   6           HG       SER   6   3.946   7.542  -7.124
   43    H    CYS   7           HN       CYS   7   5.967   5.116  -3.253
   44    HA   CYS   7           HA       CYS   7   3.957   6.359  -1.432
   45   1HB   CYS   7           HB2      CYS   7   4.322   4.887   0.214
   46   2HB   CYS   7           HB3      CYS   7   4.455   3.882  -1.221
   47    H    THR   8           HN       THR   8   4.884   7.205   0.678
   48    HA   THR   8           HA       THR   8   7.615   8.255   0.494
   49    HB   THR   8           HB       THR   8   6.946  10.228   1.900
   50    HG1  THR   8           HG1      THR   8   4.782  10.905   1.580
   51   1HG2  THR   8           HG21     THR   8   7.532  10.402  -0.516
   52   2HG2  THR   8           HG22     THR   8   5.816  10.093  -0.975
   53   3HG2  THR   8           HG23     THR   8   6.247  11.583  -0.062
   54    H    THR   9           HN       THR   9   4.754   7.586   2.639
   55    HA   THR   9           HA       THR   9   6.569   6.215   4.523
   56    HB   THR   9           HB       THR   9   5.033   7.078   6.369
   57    HG1  THR   9           HG1      THR   9   3.961   8.975   5.916
   58   1HG2  THR   9           HG21     THR   9   7.371   7.904   5.931
   59   2HG2  THR   9           HG22     THR   9   6.698   9.191   4.855
   60   3HG2  THR   9           HG23     THR   9   6.281   9.166   6.610
   61    H    SER  10           HN       SER  10   5.589   4.625   5.808
   62    HA   SER  10           HA       SER  10   3.257   3.222   4.794
   63   1HB   SER  10           HB2      SER  10   5.168   1.801   5.199
   64   2HB   SER  10           HB3      SER  10   5.470   2.543   6.814
   65    HG   SER  10           HG       SER  10   4.503   0.516   6.910
   66    H    LYS  11           HN       LYS  11   1.745   4.832   5.296
   67    HA   LYS  11           HA       LYS  11   0.395   4.777   7.692
   68   1HB   LYS  11           HB2      LYS  11   2.176   6.135   8.740
   69   2HB   LYS  11           HB3      LYS  11   2.226   7.246   7.337
   70   1HG   LYS  11           HG2      LYS  11   0.036   8.178   7.927
   71   2HG   LYS  11           HG3      LYS  11  -0.233   6.904   9.173
   72   1HD   LYS  11           HD2      LYS  11   1.527   7.829  10.590
   73   2HD   LYS  11           HD3      LYS  11   2.108   8.907   9.277
   74   1HE   LYS  11           HE2      LYS  11   0.779  10.183  10.989
   75   2HE   LYS  11           HE3      LYS  11   0.035  10.244   9.345
   76   1HZ   LYS  11           HZ1      LYS  11  -1.479   8.514  10.005
   77   2HZ   LYS  11           HZ2      LYS  11  -0.793   8.439  11.557
   78   3HZ   LYS  11           HZ3      LYS  11  -1.581   9.858  11.045
   79    H    GLU  12           HN       GLU  12   1.542   6.708   4.899
   80    HA   GLU  12           HA       GLU  12  -0.707   8.153   4.364
   81   1HB   GLU  12           HB2      GLU  12   1.863   8.360   3.818
   82   2HB   GLU  12           HB3      GLU  12   1.506   7.454   2.335
   83   1HG   GLU  12           HG2      GLU  12  -0.310   9.266   1.846
   84   2HG   GLU  12           HG3      GLU  12   0.314  10.112   3.321
   85   1HN   ABA  13           HN       ABA  13   0.423   5.046   3.059
   86    HA   ABA  13           HA       ABA  13  -1.540   5.083   0.880
   87   1HB   ABA  13           HB3      ABA  13   0.805   5.079   0.247
   88   2HB   ABA  13           HB2      ABA  13  -0.016   3.599  -0.272
   89   1HG   ABA  13           HG1      ABA  13   2.283   3.193   0.546
   90   2HG   ABA  13           HG2      ABA  13   1.856   3.849   2.186
   91   3HG   ABA  13           HG3      ABA  13   1.096   2.312   1.577
   92    H    TRP  14           HN       TRP  14  -2.337   4.392   3.598
   93    HA   TRP  14           HA       TRP  14  -2.985   1.577   3.545
   94   1HB   TRP  14           HB2      TRP  14  -3.457   3.867   5.528
   95   2HB   TRP  14           HB3      TRP  14  -4.220   2.253   5.760
   96    HD1  TRP  14           HD1      TRP  14  -0.423   3.031   4.835
   97    HE1  TRP  14           HE1      TRP  14   0.938   1.422   6.202
   98    HE3  TRP  14           HE3      TRP  14  -4.172   1.178   7.776
   99    HZ2  TRP  14           HZ2      TRP  14   0.546  -0.361   8.429
  100    HZ3  TRP  14           HZ3      TRP  14  -3.620  -0.518   9.482
  101    HH2  TRP  14           HH2      TRP  14  -1.301  -1.303   9.778
  102    H    SER  15           HN       SER  15  -4.593   4.648   2.628
  103    HA   SER  15           HA       SER  15  -7.189   3.412   2.344
  104   1HB   SER  15           HB2      SER  15  -7.906   5.740   1.703
  105   2HB   SER  15           HB3      SER  15  -7.161   5.633   3.329
  106    HG   SER  15           HG       SER  15  -6.407   7.384   2.172
  107    H    VAL  16           HN       VAL  16  -4.390   3.213   0.660
  108    HA   VAL  16           HA       VAL  16  -5.574   3.234  -2.032
  109    HB   VAL  16           HB       VAL  16  -2.681   2.754  -1.093
  110   1HG1  VAL  16           HG12     VAL  16  -3.902   3.220  -3.905
  111   2HG1  VAL  16           HG13     VAL  16  -2.142   3.169  -3.514
  112   3HG1  VAL  16           HG11     VAL  16  -3.138   1.692  -3.315
  113   1HG2  VAL  16           HG23     VAL  16  -4.072   5.275  -2.218
  114   2HG2  VAL  16           HG21     VAL  16  -3.409   5.074  -0.551
  115   3HG2  VAL  16           HG22     VAL  16  -2.298   5.087  -1.959
  116    H    CYS  17           HN       CYS  17  -4.359   0.978   0.529
  117    HA   CYS  17           HA       CYS  17  -4.959  -1.368  -0.911
  118   1HB   CYS  17           HB2      CYS  17  -4.475  -0.612   1.994
  119   2HB   CYS  17           HB3      CYS  17  -5.093  -2.251   1.655
  120    H    GLN  18           HN       GLN  18  -7.119   0.951   0.677
  121    HA   GLN  18           HA       GLN  18  -9.277  -0.875   1.093
  122   1HB   GLN  18           HB2      GLN  18  -8.603   1.141   2.558
  123   2HB   GLN  18           HB3      GLN  18  -9.232   2.189   1.265
  124   1HG   GLN  18           HG2      GLN  18 -11.407   0.517   1.575
  125   2HG   GLN  18           HG3      GLN  18 -10.638   0.256   3.165
  126   1HE2  GLN  18           HE22     GLN  18 -11.886   3.387   4.425
  127   2HE2  GLN  18           HE21     GLN  18 -11.215   1.826   4.751
  128    H    ARG  19           HN       ARG  19  -8.340   1.726  -1.186
  129    HA   ARG  19           HA       ARG  19 -10.850   1.870  -2.550
  130   1HB   ARG  19           HB2      ARG  19  -8.104   3.153  -2.938
  131   2HB   ARG  19           HB3      ARG  19  -9.439   3.477  -4.094
  132   1HG   ARG  19           HG2      ARG  19  -9.679   3.984  -1.075
  133   2HG   ARG  19           HG3      ARG  19  -9.086   5.201  -2.249
  134   1HD   ARG  19           HD2      ARG  19 -11.863   3.836  -2.344
  135   2HD   ARG  19           HD3      ARG  19 -11.531   5.478  -1.671
  136    HE   ARG  19           HE       ARG  19 -11.515   4.627  -4.554
  137   1HH1  ARG  19           HH12     ARG  19 -10.805   7.261  -2.228
  138   2HH1  ARG  19           HH11     ARG  19 -10.685   8.476  -3.454
  139   1HH2  ARG  19           HH22     ARG  19 -11.360   6.281  -6.171
  140   2HH2  ARG  19           HH21     ARG  19 -11.003   7.911  -5.720
  141    H    LEU  20           HN       LEU  20  -7.986  -0.060  -2.966
  142    HA   LEU  20           HA       LEU  20  -8.472  -0.784  -5.744
  143   1HB   LEU  20           HB2      LEU  20  -6.286  -0.983  -3.719
  144   2HB   LEU  20           HB3      LEU  20  -6.396  -2.416  -4.790
  145    HG   LEU  20           HG       LEU  20  -4.809  -0.795  -5.523
  146   1HD1  LEU  20           HD13     LEU  20  -5.855  -2.353  -7.149
  147   2HD1  LEU  20           HD11     LEU  20  -7.113  -1.124  -7.547
  148   3HD1  LEU  20           HD12     LEU  20  -5.384  -0.800  -7.937
  149   1HD2  LEU  20           HD21     LEU  20  -5.848   1.364  -4.867
  150   2HD2  LEU  20           HD22     LEU  20  -5.366   1.355  -6.603
  151   3HD2  LEU  20           HD23     LEU  20  -7.099   1.172  -6.152
  152    H    HIS  21           HN       HIS  21  -7.914  -2.548  -2.651
  153    HA   HIS  21           HA       HIS  21  -9.667  -4.721  -3.521
  154   1HB   HIS  21           HB2      HIS  21  -7.541  -4.549  -1.308
  155   2HB   HIS  21           HB3      HIS  21  -8.482  -6.026  -1.763
  156    HD1  HIS  21           HD1      HIS  21  -8.020  -6.833  -4.373
  157    HD2  HIS  21           HD2      HIS  21  -5.309  -4.025  -2.836
  158    HE1  HIS  21           HE1      HIS  21  -5.953  -6.820  -5.873
  159    H    ASN  22           HN       ASN  22  -9.104  -4.528  -0.191
  160    HA   ASN  22           HA       ASN  22 -11.202  -2.981   0.755
  161   1HB   ASN  22           HB2      ASN  22 -12.932  -4.791   1.387
  162   2HB   ASN  22           HB3      ASN  22 -12.901  -4.286  -0.320
  163   1HD2  ASN  22           HD22     ASN  22 -12.198  -8.221   0.655
  164   2HD2  ASN  22           HD21     ASN  22 -12.327  -7.016   1.893
  165    H    THR  23           HN       THR  23  -8.800  -2.974   1.744
  166    HA   THR  23           HA       THR  23  -9.052  -4.400   4.234
  167    HB   THR  23           HB       THR  23  -7.856  -5.978   2.610
  168    HG1  THR  23           HG1      THR  23  -7.848  -6.192   4.812
  169   1HG2  THR  23           HG21     THR  23  -6.314  -4.265   1.547
  170   2HG2  THR  23           HG22     THR  23  -5.448  -4.109   3.130
  171   3HG2  THR  23           HG23     THR  23  -5.460  -5.678   2.272
  172    H    SER  24           HN       SER  24  -6.595  -3.731   5.343
  173    HA   SER  24           HA       SER  24  -6.538  -0.807   5.202
  174   1HB   SER  24           HB2      SER  24  -6.552  -0.671   7.701
  175   2HB   SER  24           HB3      SER  24  -8.104  -1.246   7.010
  176    HG   SER  24           HG       SER  24  -7.549  -2.473   8.751
  177    H    ARG  25           HN       ARG  25  -5.004  -3.974   5.913
  178    HA   ARG  25           HA       ARG  25  -2.571  -2.721   6.784
  179   1HB   ARG  25           HB2      ARG  25  -1.707  -4.993   7.259
  180   2HB   ARG  25           HB3      ARG  25  -3.111  -4.461   8.216
  181   1HG   ARG  25           HG2      ARG  25  -3.538  -6.215   5.749
  182   2HG   ARG  25           HG3      ARG  25  -3.013  -6.910   7.322
  183   1HD   ARG  25           HD2      ARG  25  -5.005  -6.097   8.486
  184   2HD   ARG  25           HD3      ARG  25  -5.483  -5.109   7.063
  185    HE   ARG  25           HE       ARG  25  -6.056  -7.054   5.804
  186   1HH1  ARG  25           HH22     ARG  25  -5.053  -7.969   9.129
  187   2HH1  ARG  25           HH21     ARG  25  -5.810  -9.524   9.060
  188   1HH2  ARG  25           HH12     ARG  25  -7.058  -9.143   5.753
  189   2HH2  ARG  25           HH11     ARG  25  -6.968 -10.198   7.120
  190    H    GLY  26           HN       GLY  26  -0.896  -2.435   5.605
  191   1HA   GLY  26           HA1      GLY  26   0.149  -3.541   3.392
  192   2HA   GLY  26           HA2      GLY  26  -1.231  -2.518   2.801
  193    H    LYS  27           HN       LYS  27   1.920  -2.342   2.936
  194    HA   LYS  27           HA       LYS  27   2.237   0.263   4.237
  195   1HB   LYS  27           HB2      LYS  27   4.157  -2.174   4.162
  196   2HB   LYS  27           HB3      LYS  27   4.479  -0.599   4.953
  197   1HG   LYS  27           HG2      LYS  27   2.619  -1.024   6.544
  198   2HG   LYS  27           HG3      LYS  27   2.273  -2.599   5.775
  199   1HD   LYS  27           HD2      LYS  27   5.091  -1.978   6.775
  200   2HD   LYS  27           HD3      LYS  27   3.808  -2.428   7.958
  201   1HE   LYS  27           HE2      LYS  27   4.712  -4.168   5.563
  202   2HE   LYS  27           HE3      LYS  27   5.189  -4.398   7.290
  203   1HZ   LYS  27           HZ2      LYS  27   2.878  -4.721   7.840
  204   2HZ   LYS  27           HZ3      LYS  27   2.420  -4.516   6.217
  205   3HZ   LYS  27           HZ1      LYS  27   3.393  -5.834   6.663
  206    H    CYS  28           HN       CYS  28   5.130  -0.199   3.194
  207    HA   CYS  28           HA       CYS  28   4.896  -0.578   0.393
  208   1HB   CYS  28           HB2      CYS  28   5.546   1.647  -0.401
  209   2HB   CYS  28           HB3      CYS  28   4.102   1.831   0.585
  210    H    MET  29           HN       MET  29   7.223   0.094  -0.548
  211    HA   MET  29           HA       MET  29   9.154  -1.289   1.152
  212   1HB   MET  29           HB2      MET  29   8.466  -2.101  -1.200
  213   2HB   MET  29           HB3      MET  29   9.412  -0.739  -1.842
  214   1HG   MET  29           HG2      MET  29  11.375  -1.725  -0.351
  215   2HG   MET  29           HG3      MET  29  10.287  -3.120  -0.082
  216   1HE   MET  29           HE1      MET  29  13.090  -3.599  -1.000
  217   2HE   MET  29           HE2      MET  29  11.824  -4.870  -0.899
  218   3HE   MET  29           HE3      MET  29  12.873  -4.762  -2.352
  219    H    ASN  30           HN       ASN  30  10.944   0.255  -1.058
  220    HA   ASN  30           HA       ASN  30  11.580   2.520   0.601
  221   1HB   ASN  30           HB2      ASN  30  13.472   2.852  -1.122
  222   2HB   ASN  30           HB3      ASN  30  13.491   1.430  -0.052
  223   1HD2  ASN  30           HD22     ASN  30  13.587  -0.953  -2.624
  224   2HD2  ASN  30           HD21     ASN  30  13.774  -0.555  -0.948
  225    H    LYS  31           HN       LYS  31  10.043   2.022  -2.561
  226    HA   LYS  31           HA       LYS  31   9.648   4.938  -2.830
  227   1HB   LYS  31           HB2      LYS  31  10.726   2.960  -4.896
  228   2HB   LYS  31           HB3      LYS  31  10.204   4.631  -5.295
  229   1HG   LYS  31           HG2      LYS  31  11.946   5.601  -3.843
  230   2HG   LYS  31           HG3      LYS  31  12.466   3.959  -3.357
  231   1HD   LYS  31           HD2      LYS  31  14.054   4.555  -4.895
  232   2HD   LYS  31           HD3      LYS  31  12.975   3.463  -5.827
  233   1HE   LYS  31           HE2      LYS  31  12.902   6.577  -5.921
  234   2HE   LYS  31           HE3      LYS  31  13.822   5.536  -7.077
  235   1HZ   LYS  31           HZ3      LYS  31  10.883   5.487  -6.676
  236   2HZ   LYS  31           HZ1      LYS  31  11.718   6.221  -7.958
  237   3HZ   LYS  31           HZ2      LYS  31  11.769   4.535  -7.765
  238    H    LYS  32           HN       LYS  32   7.898   1.838  -2.871
  239    HA   LYS  32           HA       LYS  32   5.816   3.138  -4.439
  240   1HB   LYS  32           HB2      LYS  32   5.531   1.502  -6.095
  241   2HB   LYS  32           HB3      LYS  32   7.206   2.079  -6.183
  242   1HG   LYS  32           HG2      LYS  32   7.479  -0.122  -6.548
  243   2HG   LYS  32           HG3      LYS  32   7.779  -0.064  -4.771
  244   1HD   LYS  32           HD2      LYS  32   5.878  -1.406  -4.361
  245   2HD   LYS  32           HD3      LYS  32   4.919  -0.542  -5.606
  246   1HE   LYS  32           HE2      LYS  32   5.126  -2.888  -6.258
  247   2HE   LYS  32           HE3      LYS  32   6.007  -1.838  -7.435
  248   1HZ   LYS  32           HZ3      LYS  32   8.060  -2.400  -6.301
  249   2HZ   LYS  32           HZ1      LYS  32   7.223  -3.403  -5.214
  250   3HZ   LYS  32           HZ2      LYS  32   7.251  -3.781  -6.870
  251   1HN   ABA  33           HN       ABA  33   3.752   2.236  -4.127
  252    HA   ABA  33           HA       ABA  33   3.344   1.390  -1.477
  253   1HB   ABA  33           HB3      ABA  33   1.476   1.982  -3.798
  254   2HB   ABA  33           HB2      ABA  33   2.049   3.106  -2.520
  255   1HG   ABA  33           HG1      ABA  33  -0.196   2.415  -1.954
  256   2HG   ABA  33           HG2      ABA  33   0.215   0.668  -1.999
  257   3HG   ABA  33           HG3      ABA  33   0.986   1.714  -0.770
  258    H    ARG  34           HN       ARG  34   2.346  -0.527  -0.748
  259    HA   ARG  34           HA       ARG  34   2.093  -2.818  -2.568
  260   1HB   ARG  34           HB2      ARG  34   3.774  -2.703   0.015
  261   2HB   ARG  34           HB3      ARG  34   3.224  -4.244  -0.738
  262   1HG   ARG  34           HG2      ARG  34   4.379  -3.676  -2.837
  263   2HG   ARG  34           HG3      ARG  34   5.081  -2.199  -2.072
  264   1HD   ARG  34           HD2      ARG  34   6.351  -3.534  -0.447
  265   2HD   ARG  34           HD3      ARG  34   5.452  -5.044  -0.931
  266    HE   ARG  34           HE       ARG  34   6.682  -3.949  -3.284
  267   1HH1  ARG  34           HH22     ARG  34   7.636  -5.521  -0.212
  268   2HH1  ARG  34           HH21     ARG  34   9.004  -6.327  -0.902
  269   1HH2  ARG  34           HH12     ARG  34   8.516  -5.054  -4.186
  270   2HH2  ARG  34           HH11     ARG  34   9.510  -6.057  -3.183
  271    H    CYS  35           HN       CYS  35   1.224  -4.673  -0.894
  272    HA   CYS  35           HA       CYS  35  -0.569  -3.632   1.042
  273   1HB   CYS  35           HB2      CYS  35  -1.737  -3.792  -1.418
  274   2HB   CYS  35           HB3      CYS  35  -1.919  -5.501  -0.954
  275    H    TYR  36           HN       TYR  36  -1.311  -5.454   2.371
  276    HA   TYR  36           HA       TYR  36   0.462  -7.798   2.271
  277   1HB   TYR  36           HB2      TYR  36   0.481  -5.459   4.244
  278   2HB   TYR  36           HB3      TYR  36   0.948  -7.083   4.866
  279    HD1  TYR  36           HD1      TYR  36   2.594  -8.339   2.931
  280    HD2  TYR  36           HD2      TYR  36   2.330  -4.154   3.839
  281    HE1  TYR  36           HE1      TYR  36   4.886  -8.009   2.072
  282    HE2  TYR  36           HE2      TYR  36   4.627  -3.817   2.995
  283    HH   TYR  36           HH       TYR  36   6.441  -4.770   2.070
  284    H    SER  37           HN       SER  37  -1.876  -8.202   1.527
  285    HA   SER  37           HA       SER  37  -2.934  -9.907   3.482
  286   1HB   SER  37           HB2      SER  37  -4.176  -7.833   4.269
  287   2HB   SER  37           HB3      SER  37  -4.781  -7.596   2.590
  288    HG   SER  37           HG       SER  37  -5.219  -9.841   4.274
   
  No H/Q in entry =         288
  Start of MODEL    7
    1    HA   PCA   1           HA       PGL   1   3.328  -4.914  -4.360
    2   1HB   PCA   1           HB2      PGL   1   3.755  -5.507  -7.155
    3   2HB   PCA   1           HB3      PGL   1   4.921  -4.789  -5.997
    4   1HG   PCA   1           HG2      PGL   1   4.766  -7.667  -6.934
    5   2HG   PCA   1           HG3      PGL   1   6.207  -6.689  -6.395
    6    HN   PCA   1           HN       PGL   1   3.548  -7.060  -3.276
    7    H    PHE   2           HN       PHE   2   1.191  -4.591  -4.165
    8    HA   PHE   2           HA       PHE   2  -0.704  -6.083  -5.839
    9   1HB   PHE   2           HB2      PHE   2  -0.759  -5.424  -2.872
   10   2HB   PHE   2           HB3      PHE   2  -2.336  -5.357  -3.742
   11    HD1  PHE   2           HD2      PHE   2  -3.079  -7.317  -5.117
   12    HD2  PHE   2           HD1      PHE   2   0.059  -7.575  -2.190
   13    HE1  PHE   2           HE2      PHE   2  -3.457  -9.752  -4.929
   14    HE2  PHE   2           HE1      PHE   2  -0.328 -10.013  -1.997
   15    HZ   PHE   2           HZ       PHE   2  -2.088 -11.105  -3.362
   16    H    THR   3           HN       THR   3   0.835  -3.256  -5.178
   17    HA   THR   3           HA       THR   3  -1.051  -1.631  -6.703
   18    HB   THR   3           HB       THR   3  -0.334   0.315  -5.016
   19    HG1  THR   3           HG1      THR   3   0.318  -0.289  -3.194
   20   1HG2  THR   3           HG21     THR   3  -2.517  -1.728  -4.277
   21   2HG2  THR   3           HG22     THR   3  -2.373  -0.053  -3.645
   22   3HG2  THR   3           HG23     THR   3  -2.680  -0.316  -5.401
   23    H    ASN   4           HN       ASN   4   0.161   0.279  -7.592
   24    HA   ASN   4           HA       ASN   4   3.048   0.036  -7.682
   25   1HB   ASN   4           HB2      ASN   4   3.018   0.060 -10.216
   26   2HB   ASN   4           HB3      ASN   4   2.530  -1.487  -9.465
   27   1HD2  ASN   4           HD22     ASN   4   0.197  -1.293 -12.204
   28   2HD2  ASN   4           HD21     ASN   4   1.835  -1.706 -11.824
   29    H    VAL   5           HN       VAL   5   1.875   1.824  -6.227
   30    HA   VAL   5           HA       VAL   5   1.692   4.340  -7.741
   31    HB   VAL   5           HB       VAL   5   1.082   4.044  -4.766
   32   1HG1  VAL   5           HG11     VAL   5  -0.035   5.794  -7.079
   33   2HG1  VAL   5           HG12     VAL   5  -0.574   5.852  -5.361
   34   3HG1  VAL   5           HG13     VAL   5   1.087   6.366  -5.790
   35   1HG2  VAL   5           HG23     VAL   5  -0.732   3.173  -7.088
   36   2HG2  VAL   5           HG21     VAL   5  -0.147   2.203  -5.673
   37   3HG2  VAL   5           HG22     VAL   5  -1.297   3.554  -5.420
   38    H    SER   6           HN       SER   6   2.675   6.090  -5.825
   39    HA   SER   6           HA       SER   6   5.429   5.186  -5.251
   40   1HB   SER   6           HB2      SER   6   6.056   7.664  -5.310
   41   2HB   SER   6           HB3      SER   6   5.717   6.843  -6.859
   42    HG   SER   6           HG       SER   6   3.875   8.439  -5.407
   43    H    CYS   7           HN       CYS   7   6.017   5.105  -3.255
   44    HA   CYS   7           HA       CYS   7   4.468   6.584  -1.168
   45   1HB   CYS   7           HB2      CYS   7   3.379   4.559  -1.205
   46   2HB   CYS   7           HB3      CYS   7   4.839   3.587  -1.208
   47    H    THR   8           HN       THR   8   5.523   7.055   0.675
   48    HA   THR   8           HA       THR   8   8.376   6.456   0.979
   49    HB   THR   8           HB       THR   8   8.646   8.719   2.101
   50    HG1  THR   8           HG1      THR   8   6.251   9.216   0.650
   51   1HG2  THR   8           HG23     THR   8   9.553   8.130  -0.159
   52   2HG2  THR   8           HG21     THR   8   8.022   8.689  -0.929
   53   3HG2  THR   8           HG22     THR   8   9.068   9.861  -0.047
   54    H    THR   9           HN       THR   9   5.214   7.303   2.514
   55    HA   THR   9           HA       THR   9   6.173   6.302   5.113
   56    HB   THR   9           HB       THR   9   4.225   7.702   6.026
   57    HG1  THR   9           HG1      THR   9   4.423   8.794   3.406
   58   1HG2  THR   9           HG22     THR   9   6.635   8.357   6.177
   59   2HG2  THR   9           HG23     THR   9   6.523   9.165   4.566
   60   3HG2  THR   9           HG21     THR   9   5.545   9.773   5.953
   61    H    SER  10           HN       SER  10   5.109   4.716   6.196
   62    HA   SER  10           HA       SER  10   2.873   3.314   4.973
   63   1HB   SER  10           HB2      SER  10   4.739   1.968   5.821
   64   2HB   SER  10           HB3      SER  10   4.573   2.691   7.461
   65    HG   SER  10           HG       SER  10   2.685   1.108   6.041
   66    H    LYS  11           HN       LYS  11   1.340   4.885   5.095
   67    HA   LYS  11           HA       LYS  11  -0.397   5.056   7.209
   68   1HB   LYS  11           HB2      LYS  11   1.277   6.547   8.329
   69   2HB   LYS  11           HB3      LYS  11   1.304   7.625   6.904
   70   1HG   LYS  11           HG2      LYS  11  -1.049   8.266   7.302
   71   2HG   LYS  11           HG3      LYS  11  -1.228   7.003   8.571
   72   1HD   LYS  11           HD2      LYS  11   0.715   9.388   8.764
   73   2HD   LYS  11           HD3      LYS  11  -0.973   9.392   9.390
   74   1HE   LYS  11           HE2      LYS  11  -0.432   7.457  10.910
   75   2HE   LYS  11           HE3      LYS  11   1.288   7.501  10.346
   76   1HZ   LYS  11           HZ2      LYS  11  -0.174   9.714  11.685
   77   2HZ   LYS  11           HZ3      LYS  11   0.971   8.680  12.395
   78   3HZ   LYS  11           HZ1      LYS  11   1.442   9.750  11.163
   79    H    GLU  12           HN       GLU  12   1.173   6.584   4.376
   80    HA   GLU  12           HA       GLU  12  -0.954   7.794   3.168
   81   1HB   GLU  12           HB2      GLU  12   1.711   7.731   2.968
   82   2HB   GLU  12           HB3      GLU  12   1.427   6.686   1.577
   83   1HG   GLU  12           HG2      GLU  12   0.224   9.516   2.027
   84   2HG   GLU  12           HG3      GLU  12   1.723   9.169   1.090
   85   1HN   ABA  13           HN       ABA  13   0.058   4.412   3.009
   86    HA   ABA  13           HA       ABA  13  -1.253   3.837   0.494
   87   1HB   ABA  13           HB3      ABA  13  -0.105   1.699   0.597
   88   2HB   ABA  13           HB2      ABA  13   0.294   1.929   2.343
   89   1HG   ABA  13           HG1      ABA  13   1.393   3.719   0.071
   90   2HG   ABA  13           HG2      ABA  13   1.794   3.775   1.833
   91   3HG   ABA  13           HG3      ABA  13   2.217   2.325   0.849
   92    H    TRP  14           HN       TRP  14  -2.486   4.018   3.557
   93    HA   TRP  14           HA       TRP  14  -3.715   1.451   3.782
   94   1HB   TRP  14           HB2      TRP  14  -3.860   4.005   5.506
   95   2HB   TRP  14           HB3      TRP  14  -4.679   2.463   5.952
   96    HD1  TRP  14           HD1      TRP  14  -0.915   3.165   4.854
   97    HE1  TRP  14           HE1      TRP  14   0.460   1.477   6.085
   98    HE3  TRP  14           HE3      TRP  14  -4.519   1.369   8.012
   99    HZ2  TRP  14           HZ2      TRP  14   0.192  -0.294   8.314
  100    HZ3  TRP  14           HZ3      TRP  14  -3.900  -0.407   9.620
  101    HH2  TRP  14           HH2      TRP  14  -1.585  -1.282   9.699
  102    H    SER  15           HN       SER  15  -4.726   4.631   2.582
  103    HA   SER  15           HA       SER  15  -7.496   3.856   2.262
  104   1HB   SER  15           HB2      SER  15  -7.733   6.196   1.327
  105   2HB   SER  15           HB3      SER  15  -7.158   6.118   3.023
  106    HG   SER  15           HG       SER  15  -5.505   6.448   0.747
  107    H    VAL  16           HN       VAL  16  -4.542   3.321   0.654
  108    HA   VAL  16           HA       VAL  16  -5.621   3.433  -2.046
  109    HB   VAL  16           HB       VAL  16  -2.795   2.775  -1.078
  110   1HG1  VAL  16           HG13     VAL  16  -3.961   3.436  -3.874
  111   2HG1  VAL  16           HG11     VAL  16  -2.208   3.316  -3.468
  112   3HG1  VAL  16           HG12     VAL  16  -3.248   1.859  -3.360
  113   1HG2  VAL  16           HG23     VAL  16  -4.059   5.412  -2.078
  114   2HG2  VAL  16           HG21     VAL  16  -3.427   5.086  -0.419
  115   3HG2  VAL  16           HG22     VAL  16  -2.298   5.124  -1.813
  116    H    CYS  17           HN       CYS  17  -4.710   1.076   0.524
  117    HA   CYS  17           HA       CYS  17  -5.149  -1.249  -1.096
  118   1HB   CYS  17           HB2      CYS  17  -4.759  -0.570   1.879
  119   2HB   CYS  17           HB3      CYS  17  -5.269  -2.223   1.450
  120    H    GLN  18           HN       GLN  18  -7.206   1.013   0.683
  121    HA   GLN  18           HA       GLN  18  -9.339  -0.812   1.181
  122   1HB   GLN  18           HB2      GLN  18  -8.454   0.964   2.745
  123   2HB   GLN  18           HB3      GLN  18  -9.092   2.218   1.638
  124   1HG   GLN  18           HG2      GLN  18 -11.421   1.234   1.991
  125   2HG   GLN  18           HG3      GLN  18 -10.674  -0.018   3.062
  126   1HE2  GLN  18           HE22     GLN  18 -10.941   2.096   5.900
  127   2HE2  GLN  18           HE21     GLN  18 -11.011   0.510   5.208
  128    H    ARG  19           HN       ARG  19  -8.487   1.793  -1.106
  129    HA   ARG  19           HA       ARG  19 -11.096   1.967  -2.297
  130   1HB   ARG  19           HB2      ARG  19 -10.384   3.790  -3.496
  131   2HB   ARG  19           HB3      ARG  19  -9.580   3.898  -1.910
  132   1HG   ARG  19           HG2      ARG  19  -7.794   4.480  -3.171
  133   2HG   ARG  19           HG3      ARG  19  -7.541   2.709  -3.188
  134   1HD   ARG  19           HD2      ARG  19  -7.237   3.574  -5.479
  135   2HD   ARG  19           HD3      ARG  19  -8.810   2.651  -5.427
  136    HE   ARG  19           HE       ARG  19  -9.169   5.504  -4.823
  137   1HH1  ARG  19           HH12     ARG  19  -8.758   3.199  -7.525
  138   2HH1  ARG  19           HH11     ARG  19  -9.603   4.188  -8.669
  139   1HH2  ARG  19           HH22     ARG  19 -10.301   6.814  -6.381
  140   2HH2  ARG  19           HH21     ARG  19 -10.488   6.263  -8.012
  141    H    LEU  20           HN       LEU  20  -8.185   0.072  -2.872
  142    HA   LEU  20           HA       LEU  20  -8.902  -0.654  -5.568
  143   1HB   LEU  20           HB2      LEU  20  -6.583  -0.084  -5.070
  144   2HB   LEU  20           HB3      LEU  20  -6.517  -1.320  -3.781
  145    HG   LEU  20           HG       LEU  20  -6.787  -3.115  -5.409
  146   1HD1  LEU  20           HD13     LEU  20  -6.780  -0.934  -7.612
  147   2HD1  LEU  20           HD11     LEU  20  -6.644  -2.709  -7.899
  148   3HD1  LEU  20           HD12     LEU  20  -8.159  -2.027  -7.213
  149   1HD2  LEU  20           HD21     LEU  20  -4.524  -2.363  -4.853
  150   2HD2  LEU  20           HD22     LEU  20  -4.598  -2.954  -6.554
  151   3HD2  LEU  20           HD23     LEU  20  -4.548  -1.181  -6.222
  152    H    HIS  21           HN       HIS  21  -8.457  -2.248  -2.309
  153    HA   HIS  21           HA       HIS  21  -9.974  -4.581  -3.271
  154   1HB   HIS  21           HB2      HIS  21  -7.656  -4.401  -1.259
  155   2HB   HIS  21           HB3      HIS  21  -8.605  -5.890  -1.625
  156    HD1  HIS  21           HD1      HIS  21  -8.248  -6.814  -4.183
  157    HD2  HIS  21           HD2      HIS  21  -5.517  -3.897  -2.898
  158    HE1  HIS  21           HE1      HIS  21  -6.199  -6.912  -5.707
  159    H    ASN  22           HN       ASN  22  -9.136  -4.575  -0.036
  160    HA   ASN  22           HA       ASN  22 -11.106  -3.060   1.212
  161   1HB   ASN  22           HB2      ASN  22 -12.662  -4.983   1.998
  162   2HB   ASN  22           HB3      ASN  22 -12.917  -4.345   0.359
  163   1HD2  ASN  22           HD22     ASN  22 -12.515  -7.421  -1.297
  164   2HD2  ASN  22           HD21     ASN  22 -12.971  -5.751  -1.351
  165    H    THR  23           HN       THR  23  -8.671  -2.954   1.818
  166    HA   THR  23           HA       THR  23  -8.260  -4.507   4.218
  167    HB   THR  23           HB       THR  23  -7.108  -6.083   3.084
  168    HG1  THR  23           HG1      THR  23  -4.928  -5.701   3.114
  169   1HG2  THR  23           HG21     THR  23  -6.202  -4.056   0.963
  170   2HG2  THR  23           HG22     THR  23  -5.669  -5.778   1.094
  171   3HG2  THR  23           HG23     THR  23  -7.400  -5.401   0.786
  172    H    SER  24           HN       SER  24  -6.540  -3.543   5.502
  173    HA   SER  24           HA       SER  24  -6.160  -0.669   5.026
  174   1HB   SER  24           HB2      SER  24  -6.214  -0.402   7.546
  175   2HB   SER  24           HB3      SER  24  -7.787  -0.853   6.814
  176    HG   SER  24           HG       SER  24  -7.310  -2.027   8.673
  177    H    ARG  25           HN       ARG  25  -4.829  -3.853   5.465
  178    HA   ARG  25           HA       ARG  25  -2.390  -2.966   6.717
  179   1HB   ARG  25           HB2      ARG  25  -1.782  -5.404   6.784
  180   2HB   ARG  25           HB3      ARG  25  -3.141  -4.869   7.803
  181   1HG   ARG  25           HG2      ARG  25  -3.692  -6.105   5.062
  182   2HG   ARG  25           HG3      ARG  25  -3.319  -7.126   6.482
  183   1HD   ARG  25           HD2      ARG  25  -5.230  -6.475   7.707
  184   2HD   ARG  25           HD3      ARG  25  -5.507  -4.997   6.697
  185    HE   ARG  25           HE       ARG  25  -5.837  -6.804   4.748
  186   1HH1  ARG  25           HH12     ARG  25  -7.170  -6.814   8.070
  187   2HH1  ARG  25           HH11     ARG  25  -8.643  -7.604   7.610
  188   1HH2  ARG  25           HH22     ARG  25  -7.772  -7.941   4.180
  189   2HH2  ARG  25           HH21     ARG  25  -8.988  -8.252   5.374
  190    H    GLY  26           HN       GLY  26  -0.879  -2.192   5.460
  191   1HA   GLY  26           HA1      GLY  26   0.186  -3.225   3.126
  192   2HA   GLY  26           HA2      GLY  26  -1.167  -2.091   2.699
  193    H    LYS  27           HN       LYS  27   2.045  -2.120   2.865
  194    HA   LYS  27           HA       LYS  27   2.435   0.447   4.219
  195   1HB   LYS  27           HB2      LYS  27   4.396  -1.952   4.204
  196   2HB   LYS  27           HB3      LYS  27   4.538  -0.407   5.118
  197   1HG   LYS  27           HG2      LYS  27   2.442  -1.124   6.416
  198   2HG   LYS  27           HG3      LYS  27   2.530  -2.702   5.559
  199   1HD   LYS  27           HD2      LYS  27   4.842  -3.056   6.475
  200   2HD   LYS  27           HD3      LYS  27   4.697  -1.506   7.385
  201   1HE   LYS  27           HE2      LYS  27   2.697  -2.445   8.629
  202   2HE   LYS  27           HE3      LYS  27   2.885  -4.002   7.725
  203   1HZ   LYS  27           HZ1      LYS  27   5.094  -4.204   8.667
  204   2HZ   LYS  27           HZ2      LYS  27   4.885  -2.759   9.539
  205   3HZ   LYS  27           HZ3      LYS  27   3.899  -4.103   9.872
  206    H    CYS  28           HN       CYS  28   5.325   0.146   3.302
  207    HA   CYS  28           HA       CYS  28   5.222  -0.366   0.495
  208   1HB   CYS  28           HB2      CYS  28   5.999   1.943  -0.248
  209   2HB   CYS  28           HB3      CYS  28   4.321   1.838   0.308
  210    H    MET  29           HN       MET  29   7.464   0.234  -0.480
  211    HA   MET  29           HA       MET  29   9.440  -0.926   1.304
  212   1HB   MET  29           HB2      MET  29   8.605  -1.986  -0.884
  213   2HB   MET  29           HB3      MET  29   9.573  -0.762  -1.739
  214   1HG   MET  29           HG2      MET  29  11.607  -1.595  -0.412
  215   2HG   MET  29           HG3      MET  29  10.540  -2.799   0.380
  216   1HE   MET  29           HE3      MET  29   9.730  -4.926  -0.526
  217   2HE   MET  29           HE1      MET  29   8.674  -4.063  -1.695
  218   3HE   MET  29           HE2      MET  29   9.699  -5.427  -2.249
  219    H    ASN  30           HN       ASN  30  11.047   0.385  -1.228
  220    HA   ASN  30           HA       ASN  30  11.962   2.668   0.256
  221   1HB   ASN  30           HB2      ASN  30  13.685   2.917  -1.533
  222   2HB   ASN  30           HB3      ASN  30  13.680   1.360  -0.656
  223   1HD2  ASN  30           HD22     ASN  30  14.391   0.464  -4.130
  224   2HD2  ASN  30           HD21     ASN  30  15.132   1.333  -2.827
  225    H    LYS  31           HN       LYS  31  10.163   2.148  -2.751
  226    HA   LYS  31           HA       LYS  31   9.700   5.056  -3.013
  227   1HB   LYS  31           HB2      LYS  31  10.724   3.106  -5.148
  228   2HB   LYS  31           HB3      LYS  31  10.173   4.778  -5.489
  229   1HG   LYS  31           HG2      LYS  31  11.933   5.705  -4.019
  230   2HG   LYS  31           HG3      LYS  31  12.591   4.050  -3.760
  231   1HD   LYS  31           HD2      LYS  31  12.926   3.766  -6.189
  232   2HD   LYS  31           HD3      LYS  31  12.230   5.409  -6.487
  233   1HE   LYS  31           HE2      LYS  31  14.125   6.399  -5.058
  234   2HE   LYS  31           HE3      LYS  31  14.876   4.752  -5.012
  235   1HZ   LYS  31           HZ2      LYS  31  14.939   4.805  -7.431
  236   2HZ   LYS  31           HZ3      LYS  31  14.263   6.360  -7.436
  237   3HZ   LYS  31           HZ1      LYS  31  15.797   6.106  -6.749
  238    H    LYS  32           HN       LYS  32   8.009   1.962  -2.914
  239    HA   LYS  32           HA       LYS  32   5.906   3.117  -4.590
  240   1HB   LYS  32           HB2      LYS  32   5.641   1.330  -6.007
  241   2HB   LYS  32           HB3      LYS  32   7.354   1.826  -6.142
  242   1HG   LYS  32           HG2      LYS  32   7.972  -0.058  -4.519
  243   2HG   LYS  32           HG3      LYS  32   6.276  -0.654  -4.662
  244   1HD   LYS  32           HD2      LYS  32   6.559  -0.730  -7.158
  245   2HD   LYS  32           HD3      LYS  32   8.298  -0.344  -6.940
  246   1HE   LYS  32           HE2      LYS  32   6.817  -2.841  -5.815
  247   2HE   LYS  32           HE3      LYS  32   7.979  -2.826  -7.207
  248   1HZ   LYS  32           HZ1      LYS  32   9.694  -2.093  -5.689
  249   2HZ   LYS  32           HZ2      LYS  32   8.603  -2.112  -4.388
  250   3HZ   LYS  32           HZ3      LYS  32   9.002  -3.558  -5.180
  251   1HN   ABA  33           HN       ABA  33   3.854   2.167  -4.251
  252    HA   ABA  33           HA       ABA  33   3.316   1.479  -1.569
  253   1HB   ABA  33           HB3      ABA  33   1.622   1.697  -4.123
  254   2HB   ABA  33           HB2      ABA  33   2.057   3.045  -3.006
  255   1HG   ABA  33           HG1      ABA  33   0.408   0.710  -1.927
  256   2HG   ABA  33           HG2      ABA  33   0.701   2.371  -1.315
  257   3HG   ABA  33           HG3      ABA  33  -0.303   2.138  -2.780
  258    H    ARG  34           HN       ARG  34   2.624  -0.463  -0.712
  259    HA   ARG  34           HA       ARG  34   2.265  -2.819  -2.448
  260   1HB   ARG  34           HB2      ARG  34   3.953  -2.560   0.108
  261   2HB   ARG  34           HB3      ARG  34   3.169  -4.108  -0.319
  262   1HG   ARG  34           HG2      ARG  34   4.298  -3.794  -2.681
  263   2HG   ARG  34           HG3      ARG  34   5.378  -2.647  -1.824
  264   1HD   ARG  34           HD2      ARG  34   6.360  -4.953  -1.946
  265   2HD   ARG  34           HD3      ARG  34   6.017  -4.510  -0.213
  266    HE   ARG  34           HE       ARG  34   3.665  -5.756  -1.113
  267   1HH1  ARG  34           HH12     ARG  34   7.084  -6.786  -0.894
  268   2HH1  ARG  34           HH11     ARG  34   6.689  -8.448  -0.604
  269   1HH2  ARG  34           HH22     ARG  34   3.168  -7.963  -0.723
  270   2HH2  ARG  34           HH21     ARG  34   4.430  -9.129  -0.503
  271    H    CYS  35           HN       CYS  35   1.023  -4.519  -1.222
  272    HA   CYS  35           HA       CYS  35  -0.569  -3.547   0.969
  273   1HB   CYS  35           HB2      CYS  35  -1.848  -3.489  -1.417
  274   2HB   CYS  35           HB3      CYS  35  -2.046  -5.232  -1.097
  275    H    TYR  36           HN       TYR  36  -1.282  -5.383   2.235
  276    HA   TYR  36           HA       TYR  36   0.623  -7.632   2.085
  277   1HB   TYR  36           HB2      TYR  36   0.475  -5.245   3.954
  278   2HB   TYR  36           HB3      TYR  36   0.943  -6.815   4.721
  279    HD1  TYR  36           HD2      TYR  36   2.677  -8.186   3.103
  280    HD2  TYR  36           HD1      TYR  36   2.283  -3.935   3.409
  281    HE1  TYR  36           HE2      TYR  36   5.077  -7.919   2.508
  282    HE2  TYR  36           HE1      TYR  36   4.643  -3.641   2.760
  283    HH   TYR  36           HH       TYR  36   6.594  -4.671   2.253
  284    H    SER  37           HN       SER  37  -1.825  -8.064   1.364
  285    HA   SER  37           HA       SER  37  -2.420 -10.072   3.300
  286   1HB   SER  37           HB2      SER  37  -4.920  -9.723   3.312
  287   2HB   SER  37           HB3      SER  37  -4.021  -8.466   4.230
  288    HG   SER  37           HG       SER  37  -4.944  -8.236   1.563
   
  No H/Q in entry =         288
  Start of MODEL    8
    1    HA   PCA   1           HA       PGL   1  -3.560  -6.645  -2.986
    2   1HB   PCA   1           HB2      PGL   1  -2.125  -8.435  -1.265
    3   2HB   PCA   1           HB3      PGL   1  -3.898  -8.303  -1.452
    4   1HG   PCA   1           HG2      PGL   1  -2.048 -10.360  -2.708
    5   2HG   PCA   1           HG3      PGL   1  -3.776 -10.528  -2.151
    6    HN   PCA   1           HN       PGL   1  -3.543  -7.719  -5.154
    7    H    PHE   2           HN       PHE   2  -2.070  -6.051  -5.197
    8    HA   PHE   2           HA       PHE   2   0.360  -5.037  -4.018
    9   1HB   PHE   2           HB2      PHE   2   0.236  -6.776  -6.591
   10   2HB   PHE   2           HB3      PHE   2   1.545  -5.571  -6.307
   11    HD1  PHE   2           HD1      PHE   2   2.857  -5.719  -4.092
   12    HD2  PHE   2           HD2      PHE   2   0.482  -8.944  -5.654
   13    HE1  PHE   2           HE1      PHE   2   4.090  -7.319  -2.665
   14    HE2  PHE   2           HE2      PHE   2   1.712 -10.543  -4.224
   15    HZ   PHE   2           HZ       PHE   2   3.516  -9.733  -2.724
   16    H    THR   3           HN       THR   3   0.611  -2.959  -4.658
   17    HA   THR   3           HA       THR   3  -1.144  -1.896  -6.761
   18    HB   THR   3           HB       THR   3  -1.818  -0.165  -5.602
   19    HG1  THR   3           HG1      THR   3   0.255   0.084  -3.783
   20   1HG2  THR   3           HG21     THR   3  -2.290  -2.166  -4.040
   21   2HG2  THR   3           HG22     THR   3  -0.803  -1.742  -3.126
   22   3HG2  THR   3           HG23     THR   3  -2.183  -0.600  -3.179
   23    H    ASN   4           HN       ASN   4  -0.061   0.190  -7.764
   24    HA   ASN   4           HA       ASN   4   2.846   0.114  -7.792
   25   1HB   ASN   4           HB2      ASN   4   2.830   0.258 -10.349
   26   2HB   ASN   4           HB3      ASN   4   2.449  -1.353  -9.686
   27   1HD2  ASN   4           HD22     ASN   4  -0.845  -1.563 -11.020
   28   2HD2  ASN   4           HD21     ASN   4   0.281  -2.208  -9.871
   29    H    VAL   5           HN       VAL   5   1.176   1.683  -6.374
   30    HA   VAL   5           HA       VAL   5   1.188   4.345  -7.599
   31    HB   VAL   5           HB       VAL   5   0.108   3.059  -5.039
   32   1HG1  VAL   5           HG13     VAL   5   0.217   6.078  -5.661
   33   2HG1  VAL   5           HG11     VAL   5  -0.874   5.313  -4.446
   34   3HG1  VAL   5           HG12     VAL   5   0.901   5.200  -4.227
   35   1HG2  VAL   5           HG22     VAL   5  -1.227   4.483  -7.425
   36   2HG2  VAL   5           HG23     VAL   5  -1.241   2.712  -7.076
   37   3HG2  VAL   5           HG21     VAL   5  -2.076   3.850  -5.968
   38    H    SER   6           HN       SER   6   2.444   6.059  -6.208
   39    HA   SER   6           HA       SER   6   5.018   4.952  -5.349
   40   1HB   SER   6           HB2      SER   6   5.816   7.355  -5.470
   41   2HB   SER   6           HB3      SER   6   5.327   6.588  -7.010
   42    HG   SER   6           HG       SER   6   3.694   8.298  -5.448
   43    H    CYS   7           HN       CYS   7   5.875   5.232  -3.324
   44    HA   CYS   7           HA       CYS   7   4.125   6.489  -1.242
   45   1HB   CYS   7           HB2      CYS   7   3.419   4.306  -1.204
   46   2HB   CYS   7           HB3      CYS   7   5.031   3.613  -1.185
   47    H    THR   8           HN       THR   8   5.162   7.199   0.552
   48    HA   THR   8           HA       THR   8   8.101   7.215   0.661
   49    HB   THR   8           HB       THR   8   7.918   9.505   1.765
   50    HG1  THR   8           HG1      THR   8   5.393   9.404   0.463
   51   1HG2  THR   8           HG22     THR   8   8.805   9.094  -0.544
   52   2HG2  THR   8           HG23     THR   8   7.142   9.263  -1.218
   53   3HG2  THR   8           HG21     THR   8   7.938  10.666  -0.414
   54    H    THR   9           HN       THR   9   5.020   7.661   2.517
   55    HA   THR   9           HA       THR   9   6.342   6.694   4.970
   56    HB   THR   9           HB       THR   9   4.454   7.914   6.152
   57    HG1  THR   9           HG1      THR   9   3.096   8.112   4.316
   58   1HG2  THR   9           HG21     THR   9   6.781   8.808   5.925
   59   2HG2  THR   9           HG22     THR   9   6.322   9.612   4.374
   60   3HG2  THR   9           HG23     THR   9   5.533  10.109   5.918
   61    H    SER  10           HN       SER  10   5.388   5.078   6.212
   62    HA   SER  10           HA       SER  10   3.285   3.480   4.979
   63   1HB   SER  10           HB2      SER  10   3.834   1.784   6.747
   64   2HB   SER  10           HB3      SER  10   5.166   2.193   5.620
   65    HG   SER  10           HG       SER  10   4.846   3.266   8.216
   66    H    LYS  11           HN       LYS  11   1.706   5.008   5.199
   67    HA   LYS  11           HA       LYS  11  -0.087   4.937   7.293
   68   1HB   LYS  11           HB2      LYS  11   1.739   7.383   7.321
   69   2HB   LYS  11           HB3      LYS  11  -0.007   7.641   7.630
   70   1HG   LYS  11           HG2      LYS  11   0.134   7.015   9.733
   71   2HG   LYS  11           HG3      LYS  11   0.766   5.408   9.265
   72   1HD   LYS  11           HD2      LYS  11   3.100   6.416   9.153
   73   2HD   LYS  11           HD3      LYS  11   2.421   7.948   9.806
   74   1HE   LYS  11           HE2      LYS  11   1.669   6.736  11.882
   75   2HE   LYS  11           HE3      LYS  11   2.289   5.177  11.198
   76   1HZ   LYS  11           HZ3      LYS  11   4.492   6.126  11.174
   77   2HZ   LYS  11           HZ1      LYS  11   3.914   7.584  11.829
   78   3HZ   LYS  11           HZ2      LYS  11   3.822   6.150  12.735
   79    H    GLU  12           HN       GLU  12   1.340   6.593   4.446
   80    HA   GLU  12           HA       GLU  12  -0.858   7.645   3.257
   81   1HB   GLU  12           HB2      GLU  12   1.792   7.631   2.968
   82   2HB   GLU  12           HB3      GLU  12   1.506   6.498   1.656
   83   1HG   GLU  12           HG2      GLU  12   0.191   9.300   1.925
   84   2HG   GLU  12           HG3      GLU  12   1.723   8.980   1.040
   85   1HN   ABA  13           HN       ABA  13   0.126   4.290   3.333
   86    HA   ABA  13           HA       ABA  13  -1.043   3.543   0.800
   87   1HB   ABA  13           HB3      ABA  13   0.112   1.439   1.086
   88   2HB   ABA  13           HB2      ABA  13   0.401   1.765   2.840
   89   1HG   ABA  13           HG1      ABA  13   2.400   2.119   1.396
   90   2HG   ABA  13           HG2      ABA  13   1.573   3.468   0.541
   91   3HG   ABA  13           HG3      ABA  13   1.934   3.606   2.303
   92    H    TRP  14           HN       TRP  14  -2.435   3.929   3.727
   93    HA   TRP  14           HA       TRP  14  -4.147   1.632   3.952
   94   1HB   TRP  14           HB2      TRP  14  -3.748   4.321   5.338
   95   2HB   TRP  14           HB3      TRP  14  -5.281   3.415   5.624
   96    HD1  TRP  14           HD1      TRP  14  -5.377   1.656   7.285
   97    HE1  TRP  14           HE1      TRP  14  -3.749   0.102   8.443
   98    HE3  TRP  14           HE3      TRP  14  -1.015   3.204   5.149
   99    HZ2  TRP  14           HZ2      TRP  14  -0.938  -0.139   8.860
  100    HZ3  TRP  14           HZ3      TRP  14   1.079   2.115   5.818
  101    HH2  TRP  14           HH2      TRP  14   1.144   0.508   7.683
  102    H    SER  15           HN       SER  15  -4.326   4.877   2.369
  103    HA   SER  15           HA       SER  15  -7.099   4.506   1.638
  104   1HB   SER  15           HB2      SER  15  -6.862   6.812   0.654
  105   2HB   SER  15           HB3      SER  15  -6.519   6.712   2.410
  106    HG   SER  15           HG       SER  15  -4.561   6.712   0.366
  107    H    VAL  16           HN       VAL  16  -4.227   3.216   0.549
  108    HA   VAL  16           HA       VAL  16  -5.023   3.244  -2.274
  109    HB   VAL  16           HB       VAL  16  -2.398   2.244  -1.120
  110   1HG1  VAL  16           HG11     VAL  16  -3.379   3.017  -3.964
  111   2HG1  VAL  16           HG12     VAL  16  -1.688   2.586  -3.527
  112   3HG1  VAL  16           HG13     VAL  16  -2.982   1.350  -3.412
  113   1HG2  VAL  16           HG21     VAL  16  -3.197   5.013  -2.237
  114   2HG2  VAL  16           HG22     VAL  16  -2.609   4.650  -0.570
  115   3HG2  VAL  16           HG23     VAL  16  -1.506   4.455  -1.970
  116    H    CYS  17           HN       CYS  17  -4.717   1.048   0.636
  117    HA   CYS  17           HA       CYS  17  -5.230  -1.301  -0.987
  118   1HB   CYS  17           HB2      CYS  17  -4.760  -0.774   1.990
  119   2HB   CYS  17           HB3      CYS  17  -5.252  -2.387   1.404
  120    H    GLN  18           HN       GLN  18  -7.216   1.049   0.754
  121    HA   GLN  18           HA       GLN  18  -9.499  -0.743   0.970
  122   1HB   GLN  18           HB2      GLN  18  -9.228   2.248   1.576
  123   2HB   GLN  18           HB3      GLN  18 -10.708   1.241   1.863
  124   1HG   GLN  18           HG2      GLN  18  -9.527  -0.163   3.479
  125   2HG   GLN  18           HG3      GLN  18  -7.980   0.691   3.125
  126   1HE2  GLN  18           HE22     GLN  18 -10.948   2.981   5.017
  127   2HE2  GLN  18           HE21     GLN  18 -11.369   1.928   3.706
  128    H    ARG  19           HN       ARG  19  -8.230   1.766  -1.139
  129    HA   ARG  19           HA       ARG  19 -10.612   2.163  -2.700
  130   1HB   ARG  19           HB2      ARG  19  -7.796   3.228  -2.663
  131   2HB   ARG  19           HB3      ARG  19  -8.688   3.418  -4.194
  132   1HG   ARG  19           HG2      ARG  19 -10.341   4.213  -1.850
  133   2HG   ARG  19           HG3      ARG  19  -8.824   5.148  -2.019
  134   1HD   ARG  19           HD2      ARG  19 -10.712   6.245  -3.217
  135   2HD   ARG  19           HD3      ARG  19  -9.361   5.799  -4.325
  136    HE   ARG  19           HE       ARG  19 -11.981   4.244  -3.999
  137   1HH1  ARG  19           HH22     ARG  19  -9.271   5.269  -6.107
  138   2HH1  ARG  19           HH21     ARG  19  -9.949   4.541  -7.526
  139   1HH2  ARG  19           HH12     ARG  19 -12.850   3.296  -5.911
  140   2HH2  ARG  19           HH11     ARG  19 -11.995   3.410  -7.414
  141    H    LEU  20           HN       LEU  20  -7.740   0.046  -2.918
  142    HA   LEU  20           HA       LEU  20  -8.314  -0.720  -5.641
  143   1HB   LEU  20           HB2      LEU  20  -5.997  -0.290  -4.959
  144   2HB   LEU  20           HB3      LEU  20  -6.116  -1.530  -3.675
  145    HG   LEU  20           HG       LEU  20  -6.453  -3.280  -5.373
  146   1HD1  LEU  20           HD12     LEU  20  -5.996  -1.065  -7.487
  147   2HD1  LEU  20           HD13     LEU  20  -6.023  -2.837  -7.823
  148   3HD1  LEU  20           HD11     LEU  20  -7.513  -2.012  -7.252
  149   1HD2  LEU  20           HD22     LEU  20  -4.203  -2.838  -4.562
  150   2HD2  LEU  20           HD23     LEU  20  -4.140  -3.327  -6.295
  151   3HD2  LEU  20           HD21     LEU  20  -3.934  -1.591  -5.843
  152    H    HIS  21           HN       HIS  21  -8.271  -2.206  -2.297
  153    HA   HIS  21           HA       HIS  21  -9.922  -4.425  -3.306
  154   1HB   HIS  21           HB2      HIS  21  -7.642  -4.448  -1.233
  155   2HB   HIS  21           HB3      HIS  21  -8.761  -5.827  -1.560
  156    HD1  HIS  21           HD1      HIS  21  -8.638  -6.745  -4.155
  157    HD2  HIS  21           HD2      HIS  21  -5.423  -4.343  -2.918
  158    HE1  HIS  21           HE1      HIS  21  -6.693  -7.125  -5.766
  159    H    ASN  22           HN       ASN  22  -9.226  -4.452  -0.032
  160    HA   ASN  22           HA       ASN  22 -11.015  -2.650   1.071
  161   1HB   ASN  22           HB2      ASN  22 -12.884  -4.305   1.816
  162   2HB   ASN  22           HB3      ASN  22 -12.953  -3.674   0.160
  163   1HD2  ASN  22           HD22     ASN  22 -13.025  -6.821  -1.391
  164   2HD2  ASN  22           HD21     ASN  22 -13.257  -5.107  -1.478
  165    H    THR  23           HN       THR  23  -8.592  -2.940   1.859
  166    HA   THR  23           HA       THR  23  -8.799  -4.343   4.373
  167    HB   THR  23           HB       THR  23  -7.827  -6.030   2.716
  168    HG1  THR  23           HG1      THR  23  -6.338  -6.719   4.199
  169   1HG2  THR  23           HG21     THR  23  -6.254  -4.403   1.517
  170   2HG2  THR  23           HG22     THR  23  -5.254  -4.351   3.031
  171   3HG2  THR  23           HG23     THR  23  -5.460  -5.891   2.146
  172    H    SER  24           HN       SER  24  -6.603  -3.817   5.581
  173    HA   SER  24           HA       SER  24  -5.891  -1.006   5.082
  174   1HB   SER  24           HB2      SER  24  -6.222  -0.409   7.469
  175   2HB   SER  24           HB3      SER  24  -7.753  -0.846   6.642
  176    HG   SER  24           HG       SER  24  -6.270  -2.323   8.528
  177    H    ARG  25           HN       ARG  25  -4.869  -4.163   5.360
  178    HA   ARG  25           HA       ARG  25  -2.361  -3.510   6.755
  179   1HB   ARG  25           HB2      ARG  25  -3.443  -6.195   5.742
  180   2HB   ARG  25           HB3      ARG  25  -1.809  -5.921   6.434
  181   1HG   ARG  25           HG2      ARG  25  -3.029  -6.835   8.187
  182   2HG   ARG  25           HG3      ARG  25  -2.830  -5.099   8.571
  183   1HD   ARG  25           HD2      ARG  25  -5.115  -5.963   9.191
  184   2HD   ARG  25           HD3      ARG  25  -5.223  -4.672   7.952
  185    HE   ARG  25           HE       ARG  25  -5.743  -6.268   6.241
  186   1HH1  ARG  25           HH22     ARG  25  -5.302  -7.887   9.401
  187   2HH1  ARG  25           HH21     ARG  25  -5.999  -9.384   8.876
  188   1HH2  ARG  25           HH12     ARG  25  -6.694  -8.269   5.575
  189   2HH2  ARG  25           HH11     ARG  25  -6.800  -9.604   6.676
  190    H    GLY  26           HN       GLY  26  -0.948  -2.506   5.535
  191   1HA   GLY  26           HA1      GLY  26   0.048  -3.351   3.102
  192   2HA   GLY  26           HA2      GLY  26  -1.244  -2.100   2.819
  193    H    LYS  27           HN       LYS  27   1.918  -2.407   2.907
  194    HA   LYS  27           HA       LYS  27   2.582   0.182   4.063
  195   1HB   LYS  27           HB2      LYS  27   3.013  -1.237   5.967
  196   2HB   LYS  27           HB3      LYS  27   3.570  -2.595   4.948
  197   1HG   LYS  27           HG2      LYS  27   5.690  -1.502   4.483
  198   2HG   LYS  27           HG3      LYS  27   5.165   0.007   5.304
  199   1HD   LYS  27           HD2      LYS  27   5.120  -1.163   7.485
  200   2HD   LYS  27           HD3      LYS  27   5.407  -2.741   6.677
  201   1HE   LYS  27           HE2      LYS  27   7.500  -1.910   7.731
  202   2HE   LYS  27           HE3      LYS  27   7.675  -2.007   5.934
  203   1HZ   LYS  27           HZ3      LYS  27   7.265   0.360   5.824
  204   2HZ   LYS  27           HZ1      LYS  27   7.118   0.449   7.513
  205   3HZ   LYS  27           HZ2      LYS  27   8.597  -0.004   6.813
  206    H    CYS  28           HN       CYS  28   4.669   0.819   3.149
  207    HA   CYS  28           HA       CYS  28   5.173  -0.417   0.509
  208   1HB   CYS  28           HB2      CYS  28   5.926   1.852  -0.244
  209   2HB   CYS  28           HB3      CYS  28   4.243   1.805   0.327
  210    H    MET  29           HN       MET  29   7.403   0.095  -0.330
  211    HA   MET  29           HA       MET  29   9.402  -0.752   1.599
  212   1HB   MET  29           HB2      MET  29   8.755  -1.956  -0.615
  213   2HB   MET  29           HB3      MET  29   9.700  -0.699  -1.442
  214   1HG   MET  29           HG2      MET  29  11.648  -1.382   0.183
  215   2HG   MET  29           HG3      MET  29  10.574  -2.713   0.730
  216   1HE   MET  29           HE3      MET  29  13.497  -3.020  -0.272
  217   2HE   MET  29           HE1      MET  29  12.446  -4.379   0.259
  218   3HE   MET  29           HE2      MET  29  13.371  -4.506  -1.277
  219    H    ASN  30           HN       ASN  30  11.061   0.548  -0.905
  220    HA   ASN  30           HA       ASN  30  11.702   2.978   0.474
  221   1HB   ASN  30           HB2      ASN  30  13.529   3.236  -1.198
  222   2HB   ASN  30           HB3      ASN  30  13.563   1.712  -0.269
  223   1HD2  ASN  30           HD22     ASN  30  14.497   0.894  -3.766
  224   2HD2  ASN  30           HD21     ASN  30  15.104   1.892  -2.485
  225    H    LYS  31           HN       LYS  31   9.990   2.144  -2.494
  226    HA   LYS  31           HA       LYS  31   9.711   5.014  -3.196
  227   1HB   LYS  31           HB2      LYS  31  10.397   2.619  -4.970
  228   2HB   LYS  31           HB3      LYS  31   9.947   4.233  -5.619
  229   1HG   LYS  31           HG2      LYS  31  11.840   5.312  -4.583
  230   2HG   LYS  31           HG3      LYS  31  12.338   3.793  -3.760
  231   1HD   LYS  31           HD2      LYS  31  12.653   2.675  -5.971
  232   2HD   LYS  31           HD3      LYS  31  12.280   4.230  -6.804
  233   1HE   LYS  31           HE2      LYS  31  14.276   5.304  -5.722
  234   2HE   LYS  31           HE3      LYS  31  14.611   3.780  -4.805
  235   1HZ   LYS  31           HZ2      LYS  31  14.930   2.652  -6.898
  236   2HZ   LYS  31           HZ3      LYS  31  14.628   4.081  -7.762
  237   3HZ   LYS  31           HZ1      LYS  31  15.982   3.974  -6.744
  238    H    LYS  32           HN       LYS  32   7.897   1.878  -2.941
  239    HA   LYS  32           HA       LYS  32   5.719   3.138  -4.439
  240   1HB   LYS  32           HB2      LYS  32   5.407   1.392  -5.949
  241   2HB   LYS  32           HB3      LYS  32   7.072   2.020  -6.134
  242   1HG   LYS  32           HG2      LYS  32   7.823   0.105  -4.526
  243   2HG   LYS  32           HG3      LYS  32   6.204  -0.631  -4.866
  244   1HD   LYS  32           HD2      LYS  32   6.720  -0.611  -7.294
  245   2HD   LYS  32           HD3      LYS  32   8.303   0.177  -6.948
  246   1HE   LYS  32           HE2      LYS  32   8.972  -1.846  -5.542
  247   2HE   LYS  32           HE3      LYS  32   7.421  -2.652  -6.013
  248   1HZ   LYS  32           HZ3      LYS  32   8.133  -2.511  -8.316
  249   2HZ   LYS  32           HZ1      LYS  32   9.594  -1.781  -7.846
  250   3HZ   LYS  32           HZ2      LYS  32   9.246  -3.369  -7.362
  251   1HN   ABA  33           HN       ABA  33   3.730   2.292  -4.048
  252    HA   ABA  33           HA       ABA  33   3.279   1.318  -1.432
  253   1HB   ABA  33           HB3      ABA  33   1.442   2.127  -3.735
  254   2HB   ABA  33           HB2      ABA  33   2.108   3.203  -2.480
  255   1HG   ABA  33           HG1      ABA  33  -0.043   2.715  -1.654
  256   2HG   ABA  33           HG2      ABA  33   0.079   0.942  -2.027
  257   3HG   ABA  33           HG3      ABA  33   1.115   1.664  -0.740
  258    H    ARG  34           HN       ARG  34   2.632  -0.645  -0.794
  259    HA   ARG  34           HA       ARG  34   2.042  -2.767  -2.736
  260   1HB   ARG  34           HB2      ARG  34   4.094  -2.743  -0.457
  261   2HB   ARG  34           HB3      ARG  34   3.420  -4.276  -1.119
  262   1HG   ARG  34           HG2      ARG  34   4.331  -3.819  -3.330
  263   2HG   ARG  34           HG3      ARG  34   4.809  -2.157  -2.860
  264   1HD   ARG  34           HD2      ARG  34   6.791  -3.565  -2.932
  265   2HD   ARG  34           HD3      ARG  34   6.465  -3.027  -1.224
  266    HE   ARG  34           HE       ARG  34   5.170  -5.555  -1.580
  267   1HH1  ARG  34           HH22     ARG  34   8.480  -4.236  -1.599
  268   2HH1  ARG  34           HH21     ARG  34   9.221  -5.687  -1.017
  269   1HH2  ARG  34           HH12     ARG  34   6.181  -7.514  -0.789
  270   2HH2  ARG  34           HH11     ARG  34   7.896  -7.571  -0.552
  271    H    CYS  35           HN       CYS  35   1.247  -4.705  -1.116
  272    HA   CYS  35           HA       CYS  35  -0.393  -3.678   0.986
  273   1HB   CYS  35           HB2      CYS  35  -1.661  -3.476  -1.365
  274   2HB   CYS  35           HB3      CYS  35  -1.905  -5.224  -1.168
  275    H    TYR  36           HN       TYR  36  -1.179  -5.460   2.253
  276    HA   TYR  36           HA       TYR  36   0.547  -7.850   2.088
  277   1HB   TYR  36           HB2      TYR  36   0.525  -5.483   4.024
  278   2HB   TYR  36           HB3      TYR  36   1.013  -7.089   4.692
  279    HD1  TYR  36           HD2      TYR  36   2.692  -8.322   2.696
  280    HD2  TYR  36           HD1      TYR  36   2.383  -4.184   3.811
  281    HE1  TYR  36           HE2      TYR  36   5.036  -7.957   2.014
  282    HE2  TYR  36           HE1      TYR  36   4.721  -3.817   3.142
  283    HH   TYR  36           HH       TYR  36   6.605  -4.736   2.354
  284    H    SER  37           HN       SER  37  -1.819  -8.387   1.425
  285    HA   SER  37           HA       SER  37  -3.397  -9.046   3.827
  286   1HB   SER  37           HB2      SER  37  -4.550  -7.767   1.966
  287   2HB   SER  37           HB3      SER  37  -4.230  -9.156   0.870
  288    HG   SER  37           HG       SER  37  -5.655  -9.208   3.335
   
  No H/Q in entry =         288
  Start of MODEL    9
    1    HA   PCA   1           HA       PGL   1  -3.803  -7.310  -6.293
    2   1HB   PCA   1           HB2      PGL   1  -2.620  -8.838  -3.895
    3   2HB   PCA   1           HB3      PGL   1  -4.334  -8.382  -4.204
    4   1HG   PCA   1           HG2      PGL   1  -3.225 -10.937  -4.686
    5   2HG   PCA   1           HG3      PGL   1  -4.612 -10.276  -5.662
    6    HN   PCA   1           HN       PGL   1  -1.809  -8.314  -7.533
    7    H    PHE   2           HN       PHE   2  -1.517  -6.313  -7.371
    8    HA   PHE   2           HA       PHE   2   0.033  -5.031  -5.214
    9   1HB   PHE   2           HB2      PHE   2   0.916  -5.872  -8.057
   10   2HB   PHE   2           HB3      PHE   2   1.940  -5.016  -6.836
   11    HD1  PHE   2           HD1      PHE   2   2.032  -6.189  -4.461
   12    HD2  PHE   2           HD2      PHE   2   1.025  -8.217  -8.109
   13    HE1  PHE   2           HE1      PHE   2   2.662  -8.346  -3.430
   14    HE2  PHE   2           HE2      PHE   2   1.644 -10.378  -7.076
   15    HZ   PHE   2           HZ       PHE   2   2.466 -10.447  -4.736
   16    H    THR   3           HN       THR   3   0.551  -2.895  -5.465
   17    HA   THR   3           HA       THR   3  -1.024  -1.295  -7.377
   18    HB   THR   3           HB       THR   3  -0.722   0.529  -5.580
   19    HG1  THR   3           HG1      THR   3  -0.110  -0.086  -3.649
   20   1HG2  THR   3           HG21     THR   3  -2.410  -1.979  -4.916
   21   2HG2  THR   3           HG22     THR   3  -2.630  -0.342  -4.200
   22   3HG2  THR   3           HG23     THR   3  -2.904  -0.600  -5.968
   23    H    ASN   4           HN       ASN   4   0.069   0.566  -8.257
   24    HA   ASN   4           HA       ASN   4   3.003   0.597  -8.101
   25   1HB   ASN   4           HB2      ASN   4   3.088   1.076 -10.575
   26   2HB   ASN   4           HB3      ASN   4   2.633  -0.596 -10.151
   27   1HD2  ASN   4           HD22     ASN   4  -0.631  -0.516 -11.574
   28   2HD2  ASN   4           HD21     ASN   4   0.439  -1.330 -10.481
   29    H    VAL   5           HN       VAL   5   1.514   1.961  -6.433
   30    HA   VAL   5           HA       VAL   5   1.379   4.766  -7.306
   31    HB   VAL   5           HB       VAL   5   0.263   3.136  -4.961
   32   1HG1  VAL   5           HG11     VAL   5   0.282   6.211  -5.282
   33   2HG1  VAL   5           HG12     VAL   5  -0.794   5.288  -4.165
   34   3HG1  VAL   5           HG13     VAL   5   0.985   5.232  -3.925
   35   1HG2  VAL   5           HG21     VAL   5  -1.013   4.755  -7.261
   36   2HG2  VAL   5           HG22     VAL   5  -1.010   2.963  -7.051
   37   3HG2  VAL   5           HG23     VAL   5  -1.911   4.004  -5.894
   38    H    SER   6           HN       SER   6   2.662   6.290  -5.872
   39    HA   SER   6           HA       SER   6   5.167   5.061  -5.001
   40   1HB   SER   6           HB2      SER   6   6.053   7.431  -5.017
   41   2HB   SER   6           HB3      SER   6   5.562   6.722  -6.582
   42    HG   SER   6           HG       SER   6   4.830   8.819  -6.350
   43    H    CYS   7           HN       CYS   7   5.939   5.080  -2.983
   44    HA   CYS   7           HA       CYS   7   4.455   6.516  -0.836
   45   1HB   CYS   7           HB2      CYS   7   3.268   4.582  -0.834
   46   2HB   CYS   7           HB3      CYS   7   4.658   3.532  -1.007
   47    H    THR   8           HN       THR   8   5.642   6.943   0.939
   48    HA   THR   8           HA       THR   8   8.452   6.142   1.139
   49    HB   THR   8           HB       THR   8   9.023   8.470   2.026
   50    HG1  THR   8           HG1      THR   8   6.859   9.225   2.097
   51   1HG2  THR   8           HG23     THR   8   9.810   7.527  -0.167
   52   2HG2  THR   8           HG21     THR   8   8.355   8.215  -0.981
   53   3HG2  THR   8           HG22     THR   8   9.564   9.311  -0.218
   54    H    THR   9           HN       THR   9   5.562   7.671   2.659
   55    HA   THR   9           HA       THR   9   6.306   6.646   5.298
   56    HB   THR   9           HB       THR   9   4.293   8.141   5.998
   57    HG1  THR   9           HG1      THR   9   3.983   9.845   4.550
   58   1HG2  THR   9           HG23     THR   9   6.680   8.617   6.451
   59   2HG2  THR   9           HG21     THR   9   6.870   9.367   4.817
   60   3HG2  THR   9           HG22     THR   9   5.770  10.117   6.039
   61    H    SER  10           HN       SER  10   5.323   4.955   6.186
   62    HA   SER  10           HA       SER  10   3.320   3.480   4.716
   63   1HB   SER  10           HB2      SER  10   3.876   1.670   6.434
   64   2HB   SER  10           HB3      SER  10   5.226   2.213   5.387
   65    HG   SER  10           HG       SER  10   4.733   3.134   8.013
   66    H    LYS  11           HN       LYS  11   1.682   5.092   5.065
   67    HA   LYS  11           HA       LYS  11  -0.246   4.524   6.920
   68   1HB   LYS  11           HB2      LYS  11   1.683   6.483   8.019
   69   2HB   LYS  11           HB3      LYS  11   0.057   7.210   7.889
   70   1HG   LYS  11           HG2      LYS  11  -0.958   5.355   9.163
   71   2HG   LYS  11           HG3      LYS  11   0.623   4.515   9.228
   72   1HD   LYS  11           HD2      LYS  11   0.330   5.460  11.346
   73   2HD   LYS  11           HD3      LYS  11   1.570   6.481  10.554
   74   1HE   LYS  11           HE2      LYS  11  -1.446   7.220  10.738
   75   2HE   LYS  11           HE3      LYS  11  -0.213   7.700  11.971
   76   1HZ   LYS  11           HZ2      LYS  11   0.989   8.862  10.254
   77   2HZ   LYS  11           HZ3      LYS  11  -0.189   8.452   9.102
   78   3HZ   LYS  11           HZ1      LYS  11  -0.599   9.441  10.421
   79    H    GLU  12           HN       GLU  12   1.346   6.862   4.707
   80    HA   GLU  12           HA       GLU  12  -0.725   8.358   3.872
   81   1HB   GLU  12           HB2      GLU  12   1.899   8.293   3.551
   82   2HB   GLU  12           HB3      GLU  12   1.578   7.480   2.024
   83   1HG   GLU  12           HG2      GLU  12   0.420  10.219   2.907
   84   2HG   GLU  12           HG3      GLU  12   1.923  10.008   1.942
   85   1HN   ABA  13           HN       ABA  13   0.269   5.143   2.651
   86    HA   ABA  13           HA       ABA  13  -1.583   5.232   0.377
   87   1HB   ABA  13           HB3      ABA  13   0.793   4.991  -0.124
   88   2HB   ABA  13           HB2      ABA  13  -0.105   3.534  -0.584
   89   1HG   ABA  13           HG1      ABA  13   1.626   3.916   1.952
   90   2HG   ABA  13           HG2      ABA  13   0.776   2.369   1.520
   91   3HG   ABA  13           HG3      ABA  13   2.075   3.030   0.454
   92    H    TRP  14           HN       TRP  14  -2.361   4.602   3.249
   93    HA   TRP  14           HA       TRP  14  -3.150   1.823   3.197
   94   1HB   TRP  14           HB2      TRP  14  -3.435   4.087   5.249
   95   2HB   TRP  14           HB3      TRP  14  -4.204   2.479   5.487
   96    HD1  TRP  14           HD1      TRP  14  -0.480   2.914   4.196
   97    HE1  TRP  14           HE1      TRP  14   0.875   1.300   5.571
   98    HE3  TRP  14           HE3      TRP  14  -4.024   1.740   7.694
   99    HZ2  TRP  14           HZ2      TRP  14   0.536  -0.293   7.929
  100    HZ3  TRP  14           HZ3      TRP  14  -3.465   0.080   9.438
  101    HH2  TRP  14           HH2      TRP  14  -1.222  -0.963   9.509
  102    H    SER  15           HN       SER  15  -4.546   4.862   2.130
  103    HA   SER  15           HA       SER  15  -7.267   3.895   2.079
  104   1HB   SER  15           HB2      SER  15  -7.732   6.188   1.101
  105   2HB   SER  15           HB3      SER  15  -7.046   6.172   2.759
  106    HG   SER  15           HG       SER  15  -5.592   6.584   0.365
  107    H    VAL  16           HN       VAL  16  -4.478   3.320   0.342
  108    HA   VAL  16           HA       VAL  16  -5.715   3.258  -2.325
  109    HB   VAL  16           HB       VAL  16  -2.829   2.643  -1.484
  110   1HG1  VAL  16           HG12     VAL  16  -4.135   3.147  -4.251
  111   2HG1  VAL  16           HG13     VAL  16  -2.370   2.962  -3.928
  112   3HG1  VAL  16           HG11     VAL  16  -3.472   1.573  -3.671
  113   1HG2  VAL  16           HG23     VAL  16  -3.433   5.032  -0.981
  114   2HG2  VAL  16           HG21     VAL  16  -2.318   4.906  -2.382
  115   3HG2  VAL  16           HG22     VAL  16  -4.073   5.217  -2.659
  116    H    CYS  17           HN       CYS  17  -4.279   1.045   0.179
  117    HA   CYS  17           HA       CYS  17  -5.048  -1.320  -1.204
  118   1HB   CYS  17           HB2      CYS  17  -3.815  -0.595   1.446
  119   2HB   CYS  17           HB3      CYS  17  -4.574  -2.201   1.367
  120    H    GLN  18           HN       GLN  18  -7.033   0.914   0.502
  121    HA   GLN  18           HA       GLN  18  -8.985  -0.981   1.407
  122   1HB   GLN  18           HB2      GLN  18  -8.153   1.195   2.515
  123   2HB   GLN  18           HB3      GLN  18  -9.100   2.106   1.321
  124   1HG   GLN  18           HG2      GLN  18 -10.152  -0.090   3.211
  125   2HG   GLN  18           HG3      GLN  18 -10.125   1.669   3.627
  126   1HE2  GLN  18           HE22     GLN  18 -12.776   2.567   1.264
  127   2HE2  GLN  18           HE21     GLN  18 -11.228   3.118   1.817
  128    H    ARG  19           HN       ARG  19  -8.727   1.722  -0.883
  129    HA   ARG  19           HA       ARG  19 -11.248   1.413  -2.127
  130   1HB   ARG  19           HB2      ARG  19  -8.791   3.128  -2.695
  131   2HB   ARG  19           HB3      ARG  19 -10.285   3.281  -3.675
  132   1HG   ARG  19           HG2      ARG  19 -10.817   3.405  -0.733
  133   2HG   ARG  19           HG3      ARG  19  -9.701   4.669  -1.334
  134   1HD   ARG  19           HD2      ARG  19 -12.049   5.516  -1.428
  135   2HD   ARG  19           HD3      ARG  19 -11.297   5.380  -3.060
  136    HE   ARG  19           HE       ARG  19 -12.747   3.620  -3.639
  137   1HH1  ARG  19           HH12     ARG  19 -13.208   4.370  -0.167
  138   2HH1  ARG  19           HH11     ARG  19 -14.636   3.401  -0.022
  139   1HH2  ARG  19           HH22     ARG  19 -14.671   2.327  -3.401
  140   2HH2  ARG  19           HH21     ARG  19 -15.469   2.235  -1.866
  141    H    LEU  20           HN       LEU  20  -8.193  -0.122  -2.816
  142    HA   LEU  20           HA       LEU  20  -8.839  -0.815  -5.581
  143   1HB   LEU  20           HB2      LEU  20  -6.458  -1.027  -3.741
  144   2HB   LEU  20           HB3      LEU  20  -6.582  -2.300  -4.984
  145    HG   LEU  20           HG       LEU  20  -5.147  -0.403  -5.514
  146   1HD1  LEU  20           HD13     LEU  20  -5.966  -2.003  -7.214
  147   2HD1  LEU  20           HD11     LEU  20  -7.416  -0.973  -7.527
  148   3HD1  LEU  20           HD12     LEU  20  -5.768  -0.359  -7.929
  149   1HD2  LEU  20           HD22     LEU  20  -6.524   1.550  -4.763
  150   2HD2  LEU  20           HD23     LEU  20  -6.020   1.696  -6.482
  151   3HD2  LEU  20           HD21     LEU  20  -7.710   1.226  -6.081
  152    H    HIS  21           HN       HIS  21  -7.901  -2.543  -2.559
  153    HA   HIS  21           HA       HIS  21  -9.390  -4.914  -3.389
  154   1HB   HIS  21           HB2      HIS  21  -7.244  -4.508  -1.226
  155   2HB   HIS  21           HB3      HIS  21  -7.972  -6.084  -1.732
  156    HD1  HIS  21           HD1      HIS  21  -7.439  -6.703  -4.385
  157    HD2  HIS  21           HD2      HIS  21  -5.173  -3.564  -2.770
  158    HE1  HIS  21           HE1      HIS  21  -5.464  -6.266  -5.942
  159    H    ASN  22           HN       ASN  22  -8.724  -4.668  -0.086
  160    HA   ASN  22           HA       ASN  22 -10.858  -3.416   1.055
  161   1HB   ASN  22           HB2      ASN  22 -12.444  -5.318   1.701
  162   2HB   ASN  22           HB3      ASN  22 -12.572  -4.708   0.038
  163   1HD2  ASN  22           HD22     ASN  22 -12.971  -8.238  -0.530
  164   2HD2  ASN  22           HD21     ASN  22 -13.826  -6.821  -0.022
  165    H    THR  23           HN       THR  23  -8.563  -3.220   1.972
  166    HA   THR  23           HA       THR  23  -8.537  -4.765   4.401
  167    HB   THR  23           HB       THR  23  -7.094  -6.065   2.751
  168    HG1  THR  23           HG1      THR  23  -6.862  -6.131   5.008
  169   1HG2  THR  23           HG22     THR  23  -6.020  -4.102   1.564
  170   2HG2  THR  23           HG23     THR  23  -5.138  -3.699   3.097
  171   3HG2  THR  23           HG21     THR  23  -4.813  -5.242   2.249
  172    H    SER  24           HN       SER  24  -6.390  -3.642   5.594
  173    HA   SER  24           HA       SER  24  -6.591  -0.734   5.156
  174   1HB   SER  24           HB2      SER  24  -6.636  -0.232   7.562
  175   2HB   SER  24           HB3      SER  24  -8.118  -1.071   6.997
  176    HG   SER  24           HG       SER  24  -5.989  -2.102   8.532
  177    H    ARG  25           HN       ARG  25  -4.751  -3.621   6.120
  178    HA   ARG  25           HA       ARG  25  -2.354  -2.081   6.638
  179   1HB   ARG  25           HB2      ARG  25  -1.377  -4.443   7.113
  180   2HB   ARG  25           HB3      ARG  25  -2.447  -3.652   8.292
  181   1HG   ARG  25           HG2      ARG  25  -3.623  -5.626   6.270
  182   2HG   ARG  25           HG3      ARG  25  -2.747  -6.174   7.730
  183   1HD   ARG  25           HD2      ARG  25  -4.508  -5.866   9.066
  184   2HD   ARG  25           HD3      ARG  25  -4.563  -4.099   8.615
  185    HE   ARG  25           HE       ARG  25  -5.790  -5.156   6.441
  186   1HH1  ARG  25           HH22     ARG  25  -6.353  -5.851   9.909
  187   2HH1  ARG  25           HH21     ARG  25  -8.036  -6.203   9.697
  188   1HH2  ARG  25           HH12     ARG  25  -8.040  -5.638   6.186
  189   2HH2  ARG  25           HH11     ARG  25  -9.009  -6.080   7.552
  190    H    GLY  26           HN       GLY  26  -0.920  -1.751   5.197
  191   1HA   GLY  26           HA1      GLY  26  -0.093  -3.167   3.006
  192   2HA   GLY  26           HA2      GLY  26  -1.528  -2.174   2.488
  193    H    LYS  27           HN       LYS  27   1.823  -2.193   3.145
  194    HA   LYS  27           HA       LYS  27   2.056   0.653   3.807
  195   1HB   LYS  27           HB2      LYS  27   3.992  -1.698   4.315
  196   2HB   LYS  27           HB3      LYS  27   4.218   0.005   4.852
  197   1HG   LYS  27           HG2      LYS  27   2.189  -0.213   6.296
  198   2HG   LYS  27           HG3      LYS  27   2.019  -1.933   5.768
  199   1HD   LYS  27           HD2      LYS  27   4.235  -2.483   6.730
  200   2HD   LYS  27           HD3      LYS  27   4.498  -0.761   7.173
  201   1HE   LYS  27           HE2      LYS  27   3.818  -2.115   9.163
  202   2HE   LYS  27           HE3      LYS  27   2.589  -0.843   8.786
  203   1HZ   LYS  27           HZ3      LYS  27   2.427  -3.715   8.032
  204   2HZ   LYS  27           HZ1      LYS  27   1.586  -2.948   9.294
  205   3HZ   LYS  27           HZ2      LYS  27   1.274  -2.519   7.681
  206    H    CYS  28           HN       CYS  28   5.071  -0.013   3.166
  207    HA   CYS  28           HA       CYS  28   5.059  -0.459   0.344
  208   1HB   CYS  28           HB2      CYS  28   6.075   1.820  -0.255
  209   2HB   CYS  28           HB3      CYS  28   4.379   1.816   0.240
  210    H    MET  29           HN       MET  29   7.328  -0.017  -0.553
  211    HA   MET  29           HA       MET  29   9.258  -1.296   1.194
  212   1HB   MET  29           HB2      MET  29   8.398  -2.228  -1.061
  213   2HB   MET  29           HB3      MET  29   9.427  -1.007  -1.841
  214   1HG   MET  29           HG2      MET  29  11.409  -2.007  -0.526
  215   2HG   MET  29           HG3      MET  29  10.271  -3.195   0.181
  216   1HE   MET  29           HE3      MET  29  11.578  -5.185  -0.409
  217   2HE   MET  29           HE1      MET  29  12.317  -5.543  -2.006
  218   3HE   MET  29           HE2      MET  29  12.874  -4.121  -1.057
  219    H    ASN  30           HN       ASN  30  10.907   0.054  -1.282
  220    HA   ASN  30           HA       ASN  30  11.905   2.266   0.251
  221   1HB   ASN  30           HB2      ASN  30  13.602   2.469  -1.632
  222   2HB   ASN  30           HB3      ASN  30  13.582   0.963  -0.676
  223   1HD2  ASN  30           HD22     ASN  30  12.927   0.802  -4.729
  224   2HD2  ASN  30           HD21     ASN  30  13.171   2.304  -3.900
  225    H    LYS  31           HN       LYS  31  10.049   1.905  -2.741
  226    HA   LYS  31           HA       LYS  31   9.685   4.851  -2.892
  227   1HB   LYS  31           HB2      LYS  31  10.556   2.934  -5.100
  228   2HB   LYS  31           HB3      LYS  31   9.975   4.591  -5.429
  229   1HG   LYS  31           HG2      LYS  31  11.800   5.615  -4.182
  230   2HG   LYS  31           HG3      LYS  31  12.429   4.004  -3.703
  231   1HD   LYS  31           HD2      LYS  31  13.799   4.751  -5.499
  232   2HD   LYS  31           HD3      LYS  31  12.762   3.409  -6.105
  233   1HE   LYS  31           HE2      LYS  31  11.260   5.108  -7.239
  234   2HE   LYS  31           HE3      LYS  31  12.300   6.444  -6.590
  235   1HZ   LYS  31           HZ1      LYS  31  13.196   4.261  -8.396
  236   2HZ   LYS  31           HZ2      LYS  31  12.808   5.850  -8.859
  237   3HZ   LYS  31           HZ3      LYS  31  14.135   5.562  -7.835
  238    H    LYS  32           HN       LYS  32   7.946   1.740  -2.968
  239    HA   LYS  32           HA       LYS  32   5.731   3.114  -4.293
  240   1HB   LYS  32           HB2      LYS  32   5.327   1.571  -5.927
  241   2HB   LYS  32           HB3      LYS  32   7.048   2.016  -6.101
  242   1HG   LYS  32           HG2      LYS  32   7.691  -0.081  -4.834
  243   2HG   LYS  32           HG3      LYS  32   5.944  -0.573  -4.859
  244   1HD   LYS  32           HD2      LYS  32   5.927  -0.456  -7.326
  245   2HD   LYS  32           HD3      LYS  32   7.675  -0.023  -7.319
  246   1HE   LYS  32           HE2      LYS  32   7.393  -2.466  -7.824
  247   2HE   LYS  32           HE3      LYS  32   8.224  -2.246  -6.230
  248   1HZ   LYS  32           HZ3      LYS  32   6.095  -2.592  -5.153
  249   2HZ   LYS  32           HZ1      LYS  32   5.339  -2.829  -6.658
  250   3HZ   LYS  32           HZ2      LYS  32   6.537  -3.914  -6.126
  251   1HN   ABA  33           HN       ABA  33   3.708   2.203  -3.900
  252    HA   ABA  33           HA       ABA  33   3.239   1.143  -1.379
  253   1HB   ABA  33           HB3      ABA  33   1.405   1.574  -3.795
  254   2HB   ABA  33           HB2      ABA  33   1.869   2.802  -2.579
  255   1HG   ABA  33           HG1      ABA  33  -0.331   1.993  -1.990
  256   2HG   ABA  33           HG2      ABA  33   0.213   0.274  -1.962
  257   3HG   ABA  33           HG3      ABA  33   0.880   1.437  -0.765
  258    H    ARG  34           HN       ARG  34   2.491  -0.927  -0.760
  259    HA   ARG  34           HA       ARG  34   1.957  -2.934  -2.782
  260   1HB   ARG  34           HB2      ARG  34   4.473  -3.001  -1.918
  261   2HB   ARG  34           HB3      ARG  34   3.778  -3.795  -0.475
  262   1HG   ARG  34           HG2      ARG  34   2.863  -5.613  -1.932
  263   2HG   ARG  34           HG3      ARG  34   3.203  -4.619  -3.389
  264   1HD   ARG  34           HD2      ARG  34   4.860  -6.317  -3.378
  265   2HD   ARG  34           HD3      ARG  34   5.706  -4.797  -2.886
  266    HE   ARG  34           HE       ARG  34   5.469  -5.567  -0.473
  267   1HH1  ARG  34           HH12     ARG  34   5.454  -8.036  -3.074
  268   2HH1  ARG  34           HH11     ARG  34   6.055  -9.293  -2.044
  269   1HH2  ARG  34           HH22     ARG  34   6.273  -7.278   0.862
  270   2HH2  ARG  34           HH21     ARG  34   6.522  -8.861   0.201
  271    H    CYS  35           HN       CYS  35   1.399  -5.025  -0.873
  272    HA   CYS  35           HA       CYS  35  -0.586  -3.860   0.870
  273   1HB   CYS  35           HB2      CYS  35  -1.352  -4.370  -1.760
  274   2HB   CYS  35           HB3      CYS  35  -1.744  -5.929  -1.022
  275    H    TYR  36           HN       TYR  36  -1.286  -5.312   2.354
  276    HA   TYR  36           HA       TYR  36   0.391  -7.692   2.804
  277   1HB   TYR  36           HB2      TYR  36   0.357  -4.994   4.280
  278   2HB   TYR  36           HB3      TYR  36   0.882  -6.476   5.177
  279    HD1  TYR  36           HD1      TYR  36   2.553  -7.939   3.294
  280    HD2  TYR  36           HD2      TYR  36   2.177  -3.709   3.911
  281    HE1  TYR  36           HE1      TYR  36   4.833  -7.612   2.427
  282    HE2  TYR  36           HE2      TYR  36   4.442  -3.359   3.014
  283    HH   TYR  36           HH       TYR  36   6.453  -6.122   1.883
  284    H    SER  37           HN       SER  37  -2.003  -8.180   2.143
  285    HA   SER  37           HA       SER  37  -3.874  -7.962   4.369
  286   1HB   SER  37           HB2      SER  37  -4.635  -7.514   2.006
  287   2HB   SER  37           HB3      SER  37  -4.246  -9.219   1.587
  288    HG   SER  37           HG       SER  37  -6.416  -8.893   2.127
   
  No H/Q in entry =         288
  Start of MODEL   10
    1    HA   PCA   1           HA       PGL   1  -3.044  -6.603  -3.583
    2   1HB   PCA   1           HB2      PGL   1  -1.059  -8.938  -3.816
    3   2HB   PCA   1           HB3      PGL   1  -2.029  -8.415  -2.386
    4   1HG   PCA   1           HG2      PGL   1  -2.698 -10.562  -4.094
    5   2HG   PCA   1           HG3      PGL   1  -3.954  -9.586  -3.204
    6    HN   PCA   1           HN       PGL   1  -3.376  -7.022  -6.089
    7    H    PHE   2           HN       PHE   2  -2.065  -6.011  -6.466
    8    HA   PHE   2           HA       PHE   2   0.688  -5.116  -5.913
    9   1HB   PHE   2           HB2      PHE   2  -0.546  -6.093  -8.579
   10   2HB   PHE   2           HB3      PHE   2   1.156  -5.537  -8.315
   11    HD1  PHE   2           HD2      PHE   2   2.451  -6.809  -6.369
   12    HD2  PHE   2           HD1      PHE   2  -1.006  -8.370  -8.398
   13    HE1  PHE   2           HE2      PHE   2   3.039  -9.092  -5.623
   14    HE2  PHE   2           HE1      PHE   2  -0.408 -10.651  -7.658
   15    HZ   PHE   2           HZ       PHE   2   1.602 -11.015  -6.251
   16    H    THR   3           HN       THR   3   0.856  -2.998  -5.862
   17    HA   THR   3           HA       THR   3  -0.972  -1.252  -7.373
   18    HB   THR   3           HB       THR   3  -0.584   0.356  -5.329
   19    HG1  THR   3           HG1      THR   3   0.241  -0.494  -3.649
   20   1HG2  THR   3           HG21     THR   3  -2.414  -2.123  -5.078
   21   2HG2  THR   3           HG22     THR   3  -2.576  -0.575  -4.171
   22   3HG2  THR   3           HG23     THR   3  -2.789  -0.594  -5.960
   23    H    ASN   4           HN       ASN   4   0.020   0.654  -8.161
   24    HA   ASN   4           HA       ASN   4   2.950   0.793  -8.057
   25   1HB   ASN   4           HB2      ASN   4   2.946   1.331 -10.542
   26   2HB   ASN   4           HB3      ASN   4   2.594  -0.365 -10.118
   27   1HD2  ASN   4           HD22     ASN   4  -0.180   1.811 -12.228
   28   2HD2  ASN   4           HD21     ASN   4   1.334   2.491 -11.732
   29    H    VAL   5           HN       VAL   5   1.492   2.091  -6.324
   30    HA   VAL   5           HA       VAL   5   1.324   4.909  -7.160
   31    HB   VAL   5           HB       VAL   5   0.261   3.232  -4.830
   32   1HG1  VAL   5           HG11     VAL   5   0.419   6.316  -4.940
   33   2HG1  VAL   5           HG12     VAL   5  -0.684   5.380  -3.865
   34   3HG1  VAL   5           HG13     VAL   5   1.088   5.206  -3.670
   35   1HG2  VAL   5           HG23     VAL   5  -1.019   5.079  -6.952
   36   2HG2  VAL   5           HG21     VAL   5  -1.086   3.274  -6.907
   37   3HG2  VAL   5           HG22     VAL   5  -1.913   4.243  -5.632
   38    H    SER   6           HN       SER   6   2.620   6.422  -5.725
   39    HA   SER   6           HA       SER   6   5.150   5.197  -4.922
   40   1HB   SER   6           HB2      SER   6   6.021   7.575  -4.876
   41   2HB   SER   6           HB3      SER   6   5.522   6.916  -6.460
   42    HG   SER   6           HG       SER   6   3.537   8.003  -6.208
   43    H    CYS   7           HN       CYS   7   5.910   5.140  -2.911
   44    HA   CYS   7           HA       CYS   7   4.398   6.455  -0.707
   45   1HB   CYS   7           HB2      CYS   7   3.239   4.498  -0.864
   46   2HB   CYS   7           HB3      CYS   7   4.654   3.468  -1.022
   47    H    THR   8           HN       THR   8   5.538   6.791   1.106
   48    HA   THR   8           HA       THR   8   8.347   6.000   1.338
   49    HB   THR   8           HB       THR   8   8.855   8.256   2.424
   50    HG1  THR   8           HG1      THR   8   6.665   8.955   2.509
   51   1HG2  THR   8           HG21     THR   8   9.704   7.541   0.167
   52   2HG2  THR   8           HG22     THR   8   8.232   8.244  -0.602
   53   3HG2  THR   8           HG23     THR   8   9.393   9.314   0.266
   54    H    THR   9           HN       THR   9   5.373   7.319   2.896
   55    HA   THR   9           HA       THR   9   6.106   6.096   5.462
   56    HB   THR   9           HB       THR   9   4.183   7.566   6.320
   57    HG1  THR   9           HG1      THR   9   4.621   8.755   3.770
   58   1HG2  THR   9           HG23     THR   9   6.605   8.041   6.642
   59   2HG2  THR   9           HG21     THR   9   6.662   8.909   5.061
   60   3HG2  THR   9           HG22     THR   9   5.639   9.544   6.408
   61    H    SER  10           HN       SER  10   4.988   4.404   6.287
   62    HA   SER  10           HA       SER  10   2.881   3.148   4.754
   63   1HB   SER  10           HB2      SER  10   3.154   1.266   6.424
   64   2HB   SER  10           HB3      SER  10   4.610   1.678   5.461
   65    HG   SER  10           HG       SER  10   4.092   2.564   8.097
   66    H    LYS  11           HN       LYS  11   1.385   4.863   5.002
   67    HA   LYS  11           HA       LYS  11  -0.562   4.545   6.974
   68   1HB   LYS  11           HB2      LYS  11   0.923   5.863   8.443
   69   2HB   LYS  11           HB3      LYS  11   1.199   7.090   7.173
   70   1HG   LYS  11           HG2      LYS  11  -1.666   6.569   8.043
   71   2HG   LYS  11           HG3      LYS  11  -0.584   7.334   9.249
   72   1HD   LYS  11           HD2      LYS  11  -0.372   9.324   8.102
   73   2HD   LYS  11           HD3      LYS  11  -0.520   8.559   6.491
   74   1HE   LYS  11           HE2      LYS  11  -2.482  10.017   6.951
   75   2HE   LYS  11           HE3      LYS  11  -2.965   8.285   6.740
   76   1HZ   LYS  11           HZ1      LYS  11  -2.617   9.697   9.335
   77   2HZ   LYS  11           HZ2      LYS  11  -4.087   9.332   8.566
   78   3HZ   LYS  11           HZ3      LYS  11  -3.086   8.078   9.121
   79    H    GLU  12           HN       GLU  12   1.100   6.696   4.609
   80    HA   GLU  12           HA       GLU  12  -0.869   8.170   3.621
   81   1HB   GLU  12           HB2      GLU  12   1.689   8.133   3.475
   82   2HB   GLU  12           HB3      GLU  12   1.572   7.110   2.041
   83   1HG   GLU  12           HG2      GLU  12   0.210   9.875   2.364
   84   2HG   GLU  12           HG3      GLU  12   1.901   9.669   1.777
   85   1HN   ABA  13           HN       ABA  13   0.123   4.974   2.426
   86    HA   ABA  13           HA       ABA  13  -1.656   5.071   0.085
   87   1HB   ABA  13           HB3      ABA  13   0.740   4.875  -0.306
   88   2HB   ABA  13           HB2      ABA  13  -0.134   3.422  -0.838
   89   1HG   ABA  13           HG1      ABA  13   0.644   2.249   1.322
   90   2HG   ABA  13           HG2      ABA  13   1.993   2.867   0.293
   91   3HG   ABA  13           HG3      ABA  13   1.513   3.773   1.770
   92    H    TRP  14           HN       TRP  14  -2.529   4.394   2.938
   93    HA   TRP  14           HA       TRP  14  -3.277   1.606   2.786
   94   1HB   TRP  14           HB2      TRP  14  -3.814   3.765   4.887
   95   2HB   TRP  14           HB3      TRP  14  -4.420   2.077   5.008
   96    HD1  TRP  14           HD1      TRP  14  -0.813   2.237   3.629
   97    HE1  TRP  14           HE1      TRP  14   0.658   1.178   5.333
   98    HE3  TRP  14           HE3      TRP  14  -4.118   2.160   7.540
   99    HZ2  TRP  14           HZ2      TRP  14   0.523   0.361   8.070
  100    HZ3  TRP  14           HZ3      TRP  14  -3.378   1.156   9.680
  101    HH2  TRP  14           HH2      TRP  14  -1.104   0.200   9.902
  102    H    SER  15           HN       SER  15  -4.757   4.770   1.957
  103    HA   SER  15           HA       SER  15  -7.400   3.679   1.613
  104   1HB   SER  15           HB2      SER  15  -7.988   6.054   0.988
  105   2HB   SER  15           HB3      SER  15  -7.334   5.836   2.643
  106    HG   SER  15           HG       SER  15  -5.317   6.497   1.877
  107    H    VAL  16           HN       VAL  16  -4.644   3.236   0.001
  108    HA   VAL  16           HA       VAL  16  -5.753   3.316  -2.724
  109    HB   VAL  16           HB       VAL  16  -2.986   2.471  -1.716
  110   1HG1  VAL  16           HG11     VAL  16  -4.076   2.985  -4.570
  111   2HG1  VAL  16           HG12     VAL  16  -2.360   2.634  -4.129
  112   3HG1  VAL  16           HG13     VAL  16  -3.610   1.374  -3.901
  113   1HG2  VAL  16           HG23     VAL  16  -3.423   4.910  -1.317
  114   2HG2  VAL  16           HG21     VAL  16  -2.247   4.663  -2.648
  115   3HG2  VAL  16           HG22     VAL  16  -3.956   5.095  -3.030
  116    H    CYS  17           HN       CYS  17  -4.639   0.994  -0.141
  117    HA   CYS  17           HA       CYS  17  -5.690  -1.241  -1.641
  118   1HB   CYS  17           HB2      CYS  17  -4.490  -1.027   1.151
  119   2HB   CYS  17           HB3      CYS  17  -5.172  -2.544   0.490
  120    H    GLN  18           HN       GLN  18  -7.450   1.121   0.038
  121    HA   GLN  18           HA       GLN  18  -9.510  -0.720   1.002
  122   1HB   GLN  18           HB2      GLN  18  -9.354   2.332   0.941
  123   2HB   GLN  18           HB3      GLN  18 -10.795   1.395   1.518
  124   1HG   GLN  18           HG2      GLN  18  -9.589   0.359   3.294
  125   2HG   GLN  18           HG3      GLN  18  -8.018   1.021   2.710
  126   1HE2  GLN  18           HE22     GLN  18  -8.439   3.712   5.008
  127   2HE2  GLN  18           HE21     GLN  18  -7.447   2.428   4.400
  128    H    ARG  19           HN       ARG  19  -8.957   1.723  -1.551
  129    HA   ARG  19           HA       ARG  19 -11.539   1.443  -2.752
  130   1HB   ARG  19           HB2      ARG  19  -9.199   3.108  -3.653
  131   2HB   ARG  19           HB3      ARG  19 -10.883   3.117  -4.302
  132   1HG   ARG  19           HG2      ARG  19 -11.448   3.401  -1.620
  133   2HG   ARG  19           HG3      ARG  19  -9.814   4.126  -1.672
  134   1HD   ARG  19           HD2      ARG  19 -11.304   5.955  -2.068
  135   2HD   ARG  19           HD3      ARG  19 -10.691   5.482  -3.731
  136    HE   ARG  19           HE       ARG  19 -13.166   4.078  -2.964
  137   1HH1  ARG  19           HH12     ARG  19 -11.941   7.164  -4.299
  138   2HH1  ARG  19           HH11     ARG  19 -13.454   7.603  -5.019
  139   1HH2  ARG  19           HH22     ARG  19 -15.177   4.684  -3.932
  140   2HH2  ARG  19           HH21     ARG  19 -15.322   6.172  -4.806
  141    H    LEU  20           HN       LEU  20  -8.447  -0.113  -3.166
  142    HA   LEU  20           HA       LEU  20  -8.986  -1.226  -5.808
  143   1HB   LEU  20           HB2      LEU  20  -6.645  -1.044  -3.915
  144   2HB   LEU  20           HB3      LEU  20  -6.692  -2.511  -4.935
  145    HG   LEU  20           HG       LEU  20  -5.303  -0.731  -5.787
  146   1HD1  LEU  20           HD13     LEU  20  -6.169  -2.540  -7.244
  147   2HD1  LEU  20           HD11     LEU  20  -7.615  -1.546  -7.665
  148   3HD1  LEU  20           HD12     LEU  20  -5.972  -1.007  -8.174
  149   1HD2  LEU  20           HD23     LEU  20  -6.650   1.319  -5.271
  150   2HD2  LEU  20           HD21     LEU  20  -6.197   1.230  -7.008
  151   3HD2  LEU  20           HD22     LEU  20  -7.875   0.829  -6.499
  152    H    HIS  21           HN       HIS  21  -7.980  -2.562  -2.588
  153    HA   HIS  21           HA       HIS  21  -9.521  -4.997  -3.096
  154   1HB   HIS  21           HB2      HIS  21  -7.195  -4.425  -1.165
  155   2HB   HIS  21           HB3      HIS  21  -7.940  -6.035  -1.510
  156    HD1  HIS  21           HD1      HIS  21  -7.604  -6.759  -4.209
  157    HD2  HIS  21           HD2      HIS  21  -5.207  -3.608  -2.829
  158    HE1  HIS  21           HE1      HIS  21  -5.733  -6.376  -5.908
  159    H    ASN  22           HN       ASN  22  -8.562  -4.543   0.079
  160    HA   ASN  22           HA       ASN  22 -10.367  -2.927   1.278
  161   1HB   ASN  22           HB2      ASN  22 -12.029  -4.530   2.405
  162   2HB   ASN  22           HB3      ASN  22 -12.361  -4.086   0.720
  163   1HD2  ASN  22           HD22     ASN  22 -12.324  -7.384  -0.562
  164   2HD2  ASN  22           HD21     ASN  22 -12.473  -5.688  -0.884
  165    H    THR  23           HN       THR  23  -8.305  -2.571   2.287
  166    HA   THR  23           HA       THR  23  -7.828  -4.452   4.497
  167    HB   THR  23           HB       THR  23  -5.471  -4.463   4.374
  168    HG1  THR  23           HG1      THR  23  -4.334  -3.519   2.721
  169   1HG2  THR  23           HG21     THR  23  -6.644  -6.171   2.930
  170   2HG2  THR  23           HG22     THR  23  -6.458  -5.064   1.510
  171   3HG2  THR  23           HG23     THR  23  -5.004  -5.729   2.331
  172    H    SER  24           HN       SER  24  -6.220  -3.270   6.098
  173    HA   SER  24           HA       SER  24  -6.107  -0.426   5.845
  174   1HB   SER  24           HB2      SER  24  -6.783   0.116   8.178
  175   2HB   SER  24           HB3      SER  24  -8.144  -0.387   7.128
  176    HG   SER  24           HG       SER  24  -6.836  -1.929   9.107
  177    H    ARG  25           HN       ARG  25  -4.522  -2.894   5.502
  178    HA   ARG  25           HA       ARG  25  -2.326  -2.279   7.295
  179   1HB   ARG  25           HB2      ARG  25  -1.741  -4.796   7.275
  180   2HB   ARG  25           HB3      ARG  25  -2.940  -4.200   8.450
  181   1HG   ARG  25           HG2      ARG  25  -3.956  -5.307   5.805
  182   2HG   ARG  25           HG3      ARG  25  -3.359  -6.431   7.073
  183   1HD   ARG  25           HD2      ARG  25  -4.990  -5.743   8.687
  184   2HD   ARG  25           HD3      ARG  25  -5.427  -4.270   7.727
  185    HE   ARG  25           HE       ARG  25  -5.847  -6.712   6.160
  186   1HH1  ARG  25           HH22     ARG  25  -7.311  -4.751   8.768
  187   2HH1  ARG  25           HH21     ARG  25  -8.935  -5.228   8.394
  188   1HH2  ARG  25           HH12     ARG  25  -8.038  -7.327   5.669
  189   2HH2  ARG  25           HH11     ARG  25  -9.351  -6.708   6.614
  190    H    GLY  26           HN       GLY  26  -0.560  -1.940   6.101
  191   1HA   GLY  26           HA1      GLY  26  -0.021  -3.032   3.563
  192   2HA   GLY  26           HA2      GLY  26  -0.697  -1.342   3.503
  193    H    LYS  27           HN       LYS  27   2.068  -2.198   2.868
  194    HA   LYS  27           HA       LYS  27   3.392  -0.186   4.463
  195   1HB   LYS  27           HB2      LYS  27   4.771  -2.923   4.049
  196   2HB   LYS  27           HB3      LYS  27   5.470  -1.448   4.802
  197   1HG   LYS  27           HG2      LYS  27   3.812  -1.626   6.661
  198   2HG   LYS  27           HG3      LYS  27   3.172  -3.141   5.922
  199   1HD   LYS  27           HD2      LYS  27   5.422  -4.207   6.163
  200   2HD   LYS  27           HD3      LYS  27   6.039  -2.708   6.951
  201   1HE   LYS  27           HE2      LYS  27   4.359  -2.974   8.803
  202   2HE   LYS  27           HE3      LYS  27   3.706  -4.463   8.002
  203   1HZ   LYS  27           HZ3      LYS  27   5.865  -5.483   8.269
  204   2HZ   LYS  27           HZ1      LYS  27   6.472  -4.089   9.030
  205   3HZ   LYS  27           HZ2      LYS  27   5.224  -4.981   9.760
  206    H    CYS  28           HN       CYS  28   5.583   0.212   3.214
  207    HA   CYS  28           HA       CYS  28   5.440  -0.595   0.398
  208   1HB   CYS  28           HB2      CYS  28   5.984   1.782  -0.309
  209   2HB   CYS  28           HB3      CYS  28   4.362   1.548   0.384
  210    H    MET  29           HN       MET  29   7.579   0.171  -0.665
  211    HA   MET  29           HA       MET  29   9.668  -0.989   0.998
  212   1HB   MET  29           HB2      MET  29   8.632  -1.933  -1.255
  213   2HB   MET  29           HB3      MET  29   9.824  -0.870  -2.023
  214   1HG   MET  29           HG2      MET  29  11.527  -2.001  -0.330
  215   2HG   MET  29           HG3      MET  29  10.180  -3.143   0.030
  216   1HE   MET  29           HE3      MET  29  12.240  -4.834  -0.483
  217   2HE   MET  29           HE1      MET  29  13.051  -4.990  -2.080
  218   3HE   MET  29           HE2      MET  29  13.296  -3.510  -1.090
  219    H    ASN  30           HN       ASN  30  11.168   0.323  -1.618
  220    HA   ASN  30           HA       ASN  30  12.220   2.533  -0.126
  221   1HB   ASN  30           HB2      ASN  30  13.872   2.740  -1.985
  222   2HB   ASN  30           HB3      ASN  30  13.814   1.143  -1.192
  223   1HD2  ASN  30           HD22     ASN  30  13.263   1.408  -5.219
  224   2HD2  ASN  30           HD21     ASN  30  13.618   2.785  -4.231
  225    H    LYS  31           HN       LYS  31  10.148   2.160  -2.970
  226    HA   LYS  31           HA       LYS  31   9.704   5.081  -3.065
  227   1HB   LYS  31           HB2      LYS  31  10.467   3.188  -5.329
  228   2HB   LYS  31           HB3      LYS  31   9.700   4.763  -5.663
  229   1HG   LYS  31           HG2      LYS  31  11.473   6.025  -4.648
  230   2HG   LYS  31           HG3      LYS  31  12.356   4.535  -4.168
  231   1HD   LYS  31           HD2      LYS  31  12.746   3.898  -6.462
  232   2HD   LYS  31           HD3      LYS  31  11.589   5.129  -7.076
  233   1HE   LYS  31           HE2      LYS  31  13.950   5.869  -7.461
  234   2HE   LYS  31           HE3      LYS  31  13.070   6.988  -6.345
  235   1HZ   LYS  31           HZ1      LYS  31  14.132   5.894  -4.494
  236   2HZ   LYS  31           HZ2      LYS  31  14.967   4.845  -5.537
  237   3HZ   LYS  31           HZ3      LYS  31  15.275   6.515  -5.586
  238    H    LYS  32           HN       LYS  32   8.033   1.869  -3.085
  239    HA   LYS  32           HA       LYS  32   5.717   3.213  -4.256
  240   1HB   LYS  32           HB2      LYS  32   5.344   1.744  -5.981
  241   2HB   LYS  32           HB3      LYS  32   7.008   2.356  -6.171
  242   1HG   LYS  32           HG2      LYS  32   7.869   0.222  -5.066
  243   2HG   LYS  32           HG3      LYS  32   6.175  -0.407  -5.115
  244   1HD   LYS  32           HD2      LYS  32   6.108  -0.080  -7.575
  245   2HD   LYS  32           HD3      LYS  32   7.809   0.502  -7.544
  246   1HE   LYS  32           HE2      LYS  32   7.720  -1.893  -8.264
  247   2HE   LYS  32           HE3      LYS  32   8.570  -1.756  -6.672
  248   1HZ   LYS  32           HZ1      LYS  32   5.730  -2.535  -7.091
  249   2HZ   LYS  32           HZ2      LYS  32   7.025  -3.569  -6.727
  250   3HZ   LYS  32           HZ3      LYS  32   6.522  -2.409  -5.592
  251   1HN   ABA  33           HN       ABA  33   3.781   2.179  -3.957
  252    HA   ABA  33           HA       ABA  33   3.302   1.116  -1.468
  253   1HB   ABA  33           HB3      ABA  33   1.496   1.345  -3.931
  254   2HB   ABA  33           HB2      ABA  33   1.885   2.648  -2.764
  255   1HG   ABA  33           HG1      ABA  33   0.940   1.284  -0.904
  256   2HG   ABA  33           HG2      ABA  33  -0.279   1.780  -2.146
  257   3HG   ABA  33           HG3      ABA  33   0.320   0.078  -2.080
  258    H    ARG  34           HN       ARG  34   2.829  -0.917  -0.727
  259    HA   ARG  34           HA       ARG  34   2.325  -3.134  -2.592
  260   1HB   ARG  34           HB2      ARG  34   4.344  -2.990  -0.362
  261   2HB   ARG  34           HB3      ARG  34   3.313  -4.455  -0.342
  262   1HG   ARG  34           HG2      ARG  34   3.836  -4.930  -2.704
  263   2HG   ARG  34           HG3      ARG  34   4.996  -3.551  -2.731
  264   1HD   ARG  34           HD2      ARG  34   6.423  -4.663  -1.004
  265   2HD   ARG  34           HD3      ARG  34   5.165  -5.935  -0.760
  266    HE   ARG  34           HE       ARG  34   5.797  -7.020  -2.722
  267   1HH1  ARG  34           HH22     ARG  34   7.457  -3.845  -2.652
  268   2HH1  ARG  34           HH21     ARG  34   8.467  -4.211  -4.011
  269   1HH2  ARG  34           HH12     ARG  34   7.153  -7.469  -4.531
  270   2HH2  ARG  34           HH11     ARG  34   8.293  -6.292  -5.092
  271    H    CYS  35           HN       CYS  35   1.286  -4.931  -1.006
  272    HA   CYS  35           HA       CYS  35  -0.789  -3.695   0.598
  273   1HB   CYS  35           HB2      CYS  35  -1.341  -3.861  -2.019
  274   2HB   CYS  35           HB3      CYS  35  -1.647  -5.576  -1.683
  275    H    TYR  36           HN       TYR  36  -1.446  -5.047   2.083
  276    HA   TYR  36           HA       TYR  36  -0.079  -7.667   2.386
  277   1HB   TYR  36           HB2      TYR  36   0.152  -5.111   4.079
  278   2HB   TYR  36           HB3      TYR  36   0.473  -6.715   4.839
  279    HD1  TYR  36           HD2      TYR  36   2.290  -8.194   3.788
  280    HD2  TYR  36           HD1      TYR  36   1.763  -4.069   2.778
  281    HE1  TYR  36           HE2      TYR  36   4.658  -8.068   3.041
  282    HE2  TYR  36           HE1      TYR  36   4.133  -3.891   2.141
  283    HH   TYR  36           HH       TYR  36   6.301  -6.769   2.262
  284    H    SER  37           HN       SER  37  -2.149  -8.535   2.007
  285    HA   SER  37           HA       SER  37  -4.325  -7.841   3.816
  286   1HB   SER  37           HB2      SER  37  -5.657  -9.471   2.481
  287   2HB   SER  37           HB3      SER  37  -4.939  -8.148   1.490
  288    HG   SER  37           HG       SER  37  -4.700 -10.185   0.552
   
  No H/Q in entry =         288
  Start of MODEL   11
    1    HA   PCA   1           HA       PGL   1  -4.135  -7.567  -3.644
    2   1HB   PCA   1           HB2      PGL   1  -2.096  -9.845  -4.000
    3   2HB   PCA   1           HB3      PGL   1  -3.401  -9.685  -2.761
    4   1HG   PCA   1           HG2      PGL   1  -3.623 -11.232  -5.096
    5   2HG   PCA   1           HG3      PGL   1  -5.066 -10.400  -4.352
    6    HN   PCA   1           HN       PGL   1  -3.669  -7.240  -6.153
    7    H    PHE   2           HN       PHE   2  -2.209  -6.333  -5.861
    8    HA   PHE   2           HA       PHE   2  -0.394  -5.103  -3.976
    9   1HB   PHE   2           HB2      PHE   2   0.443  -6.703  -6.488
   10   2HB   PHE   2           HB3      PHE   2   1.440  -5.323  -5.914
   11    HD1  PHE   2           HD2      PHE   2   1.921  -5.294  -3.296
   12    HD2  PHE   2           HD1      PHE   2   1.049  -8.808  -5.615
   13    HE1  PHE   2           HE2      PHE   2   3.041  -6.691  -1.594
   14    HE2  PHE   2           HE1      PHE   2   2.180 -10.205  -3.916
   15    HZ   PHE   2           HZ       PHE   2   3.174  -9.150  -1.901
   16    H    THR   3           HN       THR   3   0.465  -3.150  -4.857
   17    HA   THR   3           HA       THR   3  -1.169  -1.824  -6.910
   18    HB   THR   3           HB       THR   3  -0.651   0.252  -5.344
   19    HG1  THR   3           HG1      THR   3   0.044  -0.189  -3.468
   20   1HG2  THR   3           HG22     THR   3  -2.717  -1.893  -4.537
   21   2HG2  THR   3           HG23     THR   3  -2.701  -0.177  -3.990
   22   3HG2  THR   3           HG21     THR   3  -2.931  -0.558  -5.739
   23    H    ASN   4           HN       ASN   4   0.125   0.226  -7.668
   24    HA   ASN   4           HA       ASN   4   2.994   0.009  -7.483
   25   1HB   ASN   4           HB2      ASN   4   3.231   0.112 -10.023
   26   2HB   ASN   4           HB3      ASN   4   2.788  -1.473  -9.343
   27   1HD2  ASN   4           HD22     ASN   4  -0.311  -1.785 -11.034
   28   2HD2  ASN   4           HD21     ASN   4   0.761  -2.417  -9.829
   29    H    VAL   5           HN       VAL   5   1.683   1.794  -6.137
   30    HA   VAL   5           HA       VAL   5   1.667   4.305  -7.668
   31    HB   VAL   5           HB       VAL   5   0.991   4.158  -4.707
   32   1HG1  VAL   5           HG11     VAL   5  -0.118   5.721  -7.154
   33   2HG1  VAL   5           HG12     VAL   5  -0.628   5.932  -5.438
   34   3HG1  VAL   5           HG13     VAL   5   1.032   6.393  -5.941
   35   1HG2  VAL   5           HG23     VAL   5  -0.765   3.094  -6.992
   36   2HG2  VAL   5           HG21     VAL   5  -0.223   2.260  -5.470
   37   3HG2  VAL   5           HG22     VAL   5  -1.375   3.639  -5.391
   38    H    SER   6           HN       SER   6   2.650   6.097  -5.804
   39    HA   SER   6           HA       SER   6   5.360   5.151  -5.124
   40   1HB   SER   6           HB2      SER   6   5.998   7.611  -5.092
   41   2HB   SER   6           HB3      SER   6   5.637   6.878  -6.680
   42    HG   SER   6           HG       SER   6   3.828   8.412  -5.125
   43    H    CYS   7           HN       CYS   7   5.980   5.089  -3.120
   44    HA   CYS   7           HA       CYS   7   4.438   6.531  -1.000
   45   1HB   CYS   7           HB2      CYS   7   3.332   4.544  -0.995
   46   2HB   CYS   7           HB3      CYS   7   4.778   3.550  -1.083
   47    H    THR   8           HN       THR   8   5.615   7.001   0.817
   48    HA   THR   8           HA       THR   8   8.471   6.336   0.948
   49    HB   THR   8           HB       THR   8   8.938   8.674   1.863
   50    HG1  THR   8           HG1      THR   8   6.524   9.181   0.447
   51   1HG2  THR   8           HG21     THR   8   9.740   7.816  -0.349
   52   2HG2  THR   8           HG22     THR   8   8.226   8.405  -1.133
   53   3HG2  THR   8           HG23     THR   8   9.372   9.578  -0.387
   54    H    THR   9           HN       THR   9   5.541   7.665   2.572
   55    HA   THR   9           HA       THR   9   6.426   6.595   5.162
   56    HB   THR   9           HB       THR   9   4.490   8.072   6.031
   57    HG1  THR   9           HG1      THR   9   4.079   9.832   4.671
   58   1HG2  THR   9           HG23     THR   9   6.913   8.555   6.312
   59   2HG2  THR   9           HG21     THR   9   6.953   9.373   4.702
   60   3HG2  THR   9           HG22     THR   9   5.951  10.056   6.041
   61    H    SER  10           HN       SER  10   5.411   4.876   6.043
   62    HA   SER  10           HA       SER  10   3.228   3.579   4.636
   63   1HB   SER  10           HB2      SER  10   4.874   2.661   7.067
   64   2HB   SER  10           HB3      SER  10   3.669   1.670   6.150
   65    HG   SER  10           HG       SER  10   6.020   2.869   5.123
   66    H    LYS  11           HN       LYS  11   1.693   5.223   5.053
   67    HA   LYS  11           HA       LYS  11   0.018   4.966   7.280
   68   1HB   LYS  11           HB2      LYS  11   1.849   6.379   8.372
   69   2HB   LYS  11           HB3      LYS  11   1.607   7.629   7.120
   70   1HG   LYS  11           HG2      LYS  11  -0.815   7.841   7.927
   71   2HG   LYS  11           HG3      LYS  11  -0.447   6.650   9.218
   72   1HD   LYS  11           HD2      LYS  11   0.938   9.397   8.855
   73   2HD   LYS  11           HD3      LYS  11  -0.474   9.062   9.906
   74   1HE   LYS  11           HE2      LYS  11   1.360   9.073  11.401
   75   2HE   LYS  11           HE3      LYS  11   0.984   7.320  11.165
   76   1HZ   LYS  11           HZ1      LYS  11   3.137   8.872   9.813
   77   2HZ   LYS  11           HZ2      LYS  11   3.332   7.790  11.107
   78   3HZ   LYS  11           HZ3      LYS  11   2.809   7.220   9.594
   79    H    GLU  12           HN       GLU  12   1.389   7.056   4.693
   80    HA   GLU  12           HA       GLU  12  -0.641   8.438   3.729
   81   1HB   GLU  12           HB2      GLU  12   1.888   8.423   3.396
   82   2HB   GLU  12           HB3      GLU  12   1.716   7.176   2.162
   83   1HG   GLU  12           HG2      GLU  12   0.254   9.899   2.031
   84   2HG   GLU  12           HG3      GLU  12   1.971   9.704   1.527
   85   1HN   ABA  13           HN       ABA  13   0.351   5.181   2.608
   86    HA   ABA  13           HA       ABA  13  -1.601   5.187   0.423
   87   1HB   ABA  13           HB3      ABA  13   0.766   5.011  -0.120
   88   2HB   ABA  13           HB2      ABA  13  -0.129   3.559  -0.602
   89   1HG   ABA  13           HG1      ABA  13   0.856   2.322   1.413
   90   2HG   ABA  13           HG2      ABA  13   2.092   3.080   0.333
   91   3HG   ABA  13           HG3      ABA  13   1.671   3.869   1.898
   92    H    TRP  14           HN       TRP  14  -2.315   4.543   3.293
   93    HA   TRP  14           HA       TRP  14  -3.008   1.741   3.275
   94   1HB   TRP  14           HB2      TRP  14  -3.317   4.005   5.318
   95   2HB   TRP  14           HB3      TRP  14  -4.023   2.375   5.588
   96    HD1  TRP  14           HD1      TRP  14  -0.335   3.109   4.285
   97    HE1  TRP  14           HE1      TRP  14   1.105   1.449   5.538
   98    HE3  TRP  14           HE3      TRP  14  -3.781   1.409   7.659
   99    HZ2  TRP  14           HZ2      TRP  14   0.973  -0.127   7.903
  100    HZ3  TRP  14           HZ3      TRP  14  -3.059  -0.209   9.378
  101    HH2  TRP  14           HH2      TRP  14  -0.724  -1.020   9.449
  102    H    SER  15           HN       SER  15  -4.580   4.759   2.319
  103    HA   SER  15           HA       SER  15  -7.249   3.661   2.347
  104   1HB   SER  15           HB2      SER  15  -7.897   5.961   1.552
  105   2HB   SER  15           HB3      SER  15  -7.054   5.931   3.135
  106    HG   SER  15           HG       SER  15  -6.305   7.551   1.761
  107    H    VAL  16           HN       VAL  16  -4.536   3.365   0.456
  108    HA   VAL  16           HA       VAL  16  -5.879   3.264  -2.150
  109    HB   VAL  16           HB       VAL  16  -2.933   2.795  -1.438
  110   1HG1  VAL  16           HG13     VAL  16  -4.428   3.293  -4.107
  111   2HG1  VAL  16           HG11     VAL  16  -2.641   3.259  -3.892
  112   3HG1  VAL  16           HG12     VAL  16  -3.596   1.765  -3.626
  113   1HG2  VAL  16           HG23     VAL  16  -4.410   5.335  -2.382
  114   2HG2  VAL  16           HG21     VAL  16  -3.575   5.105  -0.798
  115   3HG2  VAL  16           HG22     VAL  16  -2.623   5.128  -2.322
  116    H    CYS  17           HN       CYS  17  -4.493   1.109   0.385
  117    HA   CYS  17           HA       CYS  17  -5.060  -1.291  -1.015
  118   1HB   CYS  17           HB2      CYS  17  -4.311  -0.475   1.810
  119   2HB   CYS  17           HB3      CYS  17  -4.914  -2.140   1.582
  120    H    GLN  18           HN       GLN  18  -7.175   0.957   0.631
  121    HA   GLN  18           HA       GLN  18  -9.189  -0.918   1.379
  122   1HB   GLN  18           HB2      GLN  18  -8.395   1.167   2.600
  123   2HB   GLN  18           HB3      GLN  18  -9.204   2.174   1.381
  124   1HG   GLN  18           HG2      GLN  18 -10.574  -0.053   3.012
  125   2HG   GLN  18           HG3      GLN  18 -10.381   1.635   3.629
  126   1HE2  GLN  18           HE22     GLN  18 -13.598   0.782   1.336
  127   2HE2  GLN  18           HE21     GLN  18 -12.603  -0.399   2.122
  128    H    ARG  19           HN       ARG  19  -8.880   1.824  -0.876
  129    HA   ARG  19           HA       ARG  19 -11.409   1.456  -2.126
  130   1HB   ARG  19           HB2      ARG  19  -9.155   3.390  -2.723
  131   2HB   ARG  19           HB3      ARG  19 -10.777   3.401  -3.513
  132   1HG   ARG  19           HG2      ARG  19 -11.834   3.491  -1.213
  133   2HG   ARG  19           HG3      ARG  19 -10.210   3.802  -0.516
  134   1HD   ARG  19           HD2      ARG  19 -11.576   5.469  -2.730
  135   2HD   ARG  19           HD3      ARG  19 -11.618   5.892  -0.969
  136    HE   ARG  19           HE       ARG  19  -9.120   5.744  -2.730
  137   1HH1  ARG  19           HH12     ARG  19 -10.747   7.101   0.160
  138   2HH1  ARG  19           HH11     ARG  19  -9.416   8.131   0.572
  139   1HH2  ARG  19           HH22     ARG  19  -7.363   7.129  -2.145
  140   2HH2  ARG  19           HH21     ARG  19  -7.479   8.146  -0.746
  141    H    LEU  20           HN       LEU  20  -8.379  -0.050  -2.769
  142    HA   LEU  20           HA       LEU  20  -8.933  -0.691  -5.570
  143   1HB   LEU  20           HB2      LEU  20  -6.638  -0.982  -3.646
  144   2HB   LEU  20           HB3      LEU  20  -6.754  -2.261  -4.888
  145    HG   LEU  20           HG       LEU  20  -5.237  -0.417  -5.390
  146   1HD1  LEU  20           HD11     LEU  20  -6.057  -2.002  -7.110
  147   2HD1  LEU  20           HD12     LEU  20  -7.459  -0.927  -7.470
  148   3HD1  LEU  20           HD13     LEU  20  -5.781  -0.369  -7.824
  149   1HD2  LEU  20           HD23     LEU  20  -6.594   1.582  -4.681
  150   2HD2  LEU  20           HD21     LEU  20  -6.005   1.710  -6.376
  151   3HD2  LEU  20           HD22     LEU  20  -7.725   1.293  -6.055
  152    H    HIS  21           HN       HIS  21  -8.143  -2.477  -2.543
  153    HA   HIS  21           HA       HIS  21  -9.665  -4.800  -3.431
  154   1HB   HIS  21           HB2      HIS  21  -7.587  -4.462  -1.189
  155   2HB   HIS  21           HB3      HIS  21  -8.308  -6.014  -1.763
  156    HD1  HIS  21           HD1      HIS  21  -7.609  -6.593  -4.393
  157    HD2  HIS  21           HD2      HIS  21  -5.447  -3.489  -2.582
  158    HE1  HIS  21           HE1      HIS  21  -5.525  -6.148  -5.803
  159    H    ASN  22           HN       ASN  22  -9.085  -4.624  -0.123
  160    HA   ASN  22           HA       ASN  22 -11.165  -3.176   0.935
  161   1HB   ASN  22           HB2      ASN  22 -12.845  -4.922   1.671
  162   2HB   ASN  22           HB3      ASN  22 -12.902  -4.550  -0.061
  163   1HD2  ASN  22           HD22     ASN  22 -11.994  -7.833  -1.195
  164   2HD2  ASN  22           HD21     ASN  22 -12.041  -6.155  -1.624
  165    H    THR  23           HN       THR  23  -8.755  -3.080   1.796
  166    HA   THR  23           HA       THR  23  -8.736  -4.603   4.256
  167    HB   THR  23           HB       THR  23  -7.532  -6.004   2.482
  168    HG1  THR  23           HG1      THR  23  -7.314  -6.274   4.671
  169   1HG2  THR  23           HG21     THR  23  -6.246  -4.123   1.368
  170   2HG2  THR  23           HG22     THR  23  -5.284  -3.934   2.891
  171   3HG2  THR  23           HG23     THR  23  -5.196  -5.458   1.964
  172    H    SER  24           HN       SER  24  -6.483  -3.774   5.395
  173    HA   SER  24           HA       SER  24  -6.132  -0.939   4.984
  174   1HB   SER  24           HB2      SER  24  -6.684  -0.331   7.375
  175   2HB   SER  24           HB3      SER  24  -8.111  -0.795   6.396
  176    HG   SER  24           HG       SER  24  -8.124  -1.733   8.430
  177    H    ARG  25           HN       ARG  25  -4.762  -3.700   4.904
  178    HA   ARG  25           HA       ARG  25  -2.410  -2.940   6.524
  179   1HB   ARG  25           HB2      ARG  25  -3.257  -5.803   5.709
  180   2HB   ARG  25           HB3      ARG  25  -1.719  -5.322   6.496
  181   1HG   ARG  25           HG2      ARG  25  -2.943  -6.273   8.201
  182   2HG   ARG  25           HG3      ARG  25  -3.041  -4.510   8.504
  183   1HD   ARG  25           HD2      ARG  25  -5.220  -5.738   8.952
  184   2HD   ARG  25           HD3      ARG  25  -5.392  -4.481   7.680
  185    HE   ARG  25           HE       ARG  25  -5.598  -6.122   5.988
  186   1HH1  ARG  25           HH22     ARG  25  -4.935  -7.735   9.120
  187   2HH1  ARG  25           HH21     ARG  25  -5.343  -9.313   8.534
  188   1HH2  ARG  25           HH12     ARG  25  -6.172  -8.235   5.251
  189   2HH2  ARG  25           HH11     ARG  25  -6.056  -9.601   6.308
  190    H    GLY  26           HN       GLY  26  -0.808  -2.402   5.306
  191   1HA   GLY  26           HA1      GLY  26   0.235  -3.376   3.053
  192   2HA   GLY  26           HA2      GLY  26  -1.113  -2.328   2.444
  193    H    LYS  27           HN       LYS  27   2.077  -2.285   2.927
  194    HA   LYS  27           HA       LYS  27   2.305   0.391   4.129
  195   1HB   LYS  27           HB2      LYS  27   4.239  -2.024   4.200
  196   2HB   LYS  27           HB3      LYS  27   4.574  -0.394   4.896
  197   1HG   LYS  27           HG2      LYS  27   2.664  -0.658   6.440
  198   2HG   LYS  27           HG3      LYS  27   2.397  -2.337   5.828
  199   1HD   LYS  27           HD2      LYS  27   4.411  -3.148   6.772
  200   2HD   LYS  27           HD3      LYS  27   5.164  -1.518   6.826
  201   1HE   LYS  27           HE2      LYS  27   4.590  -2.357   9.124
  202   2HE   LYS  27           HE3      LYS  27   3.744  -0.811   8.705
  203   1HZ   LYS  27           HZ1      LYS  27   1.783  -2.086   8.181
  204   2HZ   LYS  27           HZ2      LYS  27   2.565  -3.539   8.586
  205   3HZ   LYS  27           HZ3      LYS  27   2.294  -2.357   9.778
  206    H    CYS  28           HN       CYS  28   5.231   0.071   3.275
  207    HA   CYS  28           HA       CYS  28   5.209  -0.415   0.480
  208   1HB   CYS  28           HB2      CYS  28   6.050   1.888  -0.232
  209   2HB   CYS  28           HB3      CYS  28   4.365   1.830   0.312
  210    H    MET  29           HN       MET  29   7.446   0.134  -0.427
  211    HA   MET  29           HA       MET  29   9.441  -0.969   1.362
  212   1HB   MET  29           HB2      MET  29   8.683  -1.900  -0.949
  213   2HB   MET  29           HB3      MET  29   9.646  -0.595  -1.670
  214   1HG   MET  29           HG2      MET  29  11.620  -1.531  -0.218
  215   2HG   MET  29           HG3      MET  29  10.506  -2.868   0.233
  216   1HE   MET  29           HE3      MET  29  13.443  -3.021  -1.072
  217   2HE   MET  29           HE1      MET  29  12.474  -4.442  -0.548
  218   3HE   MET  29           HE2      MET  29  13.226  -4.419  -2.180
  219    H    ASN  30           HN       ASN  30  11.151   0.518  -0.977
  220    HA   ASN  30           HA       ASN  30  11.685   2.908   0.547
  221   1HB   ASN  30           HB2      ASN  30  13.548   3.222  -1.238
  222   2HB   ASN  30           HB3      ASN  30  13.660   1.922  -0.027
  223   1HD2  ASN  30           HD22     ASN  30  13.863  -0.713  -2.332
  224   2HD2  ASN  30           HD21     ASN  30  13.989  -0.148  -0.700
  225    H    LYS  31           HN       LYS  31  10.136   2.163  -2.557
  226    HA   LYS  31           HA       LYS  31   9.699   5.055  -3.012
  227   1HB   LYS  31           HB2      LYS  31  10.625   2.934  -5.008
  228   2HB   LYS  31           HB3      LYS  31  10.113   4.596  -5.460
  229   1HG   LYS  31           HG2      LYS  31  11.941   5.564  -4.066
  230   2HG   LYS  31           HG3      LYS  31  12.488   3.907  -3.662
  231   1HD   LYS  31           HD2      LYS  31  13.864   4.073  -5.416
  232   2HD   LYS  31           HD3      LYS  31  12.418   3.723  -6.419
  233   1HE   LYS  31           HE2      LYS  31  13.578   6.521  -5.716
  234   2HE   LYS  31           HE3      LYS  31  13.699   5.683  -7.314
  235   1HZ   LYS  31           HZ3      LYS  31  11.297   5.793  -7.480
  236   2HZ   LYS  31           HZ1      LYS  31  11.204   6.597  -5.986
  237   3HZ   LYS  31           HZ2      LYS  31  11.987   7.334  -7.301
  238    H    LYS  32           HN       LYS  32   7.998   1.909  -2.881
  239    HA   LYS  32           HA       LYS  32   5.848   3.117  -4.460
  240   1HB   LYS  32           HB2      LYS  32   5.623   1.362  -5.965
  241   2HB   LYS  32           HB3      LYS  32   7.272   2.025  -6.109
  242   1HG   LYS  32           HG2      LYS  32   8.116   0.114  -4.615
  243   2HG   LYS  32           HG3      LYS  32   6.495  -0.653  -4.804
  244   1HD   LYS  32           HD2      LYS  32   6.792  -0.537  -7.306
  245   2HD   LYS  32           HD3      LYS  32   8.431   0.156  -7.048
  246   1HE   LYS  32           HE2      LYS  32   9.081  -1.968  -5.771
  247   2HE   LYS  32           HE3      LYS  32   7.454  -2.659  -6.176
  248   1HZ   LYS  32           HZ3      LYS  32   8.012  -2.420  -8.509
  249   2HZ   LYS  32           HZ1      LYS  32   9.546  -1.813  -8.107
  250   3HZ   LYS  32           HZ2      LYS  32   9.127  -3.403  -7.687
  251   1HN   ABA  33           HN       ABA  33   3.776   2.122  -4.198
  252    HA   ABA  33           HA       ABA  33   3.299   1.310  -1.548
  253   1HB   ABA  33           HB3      ABA  33   1.414   1.611  -3.926
  254   2HB   ABA  33           HB2      ABA  33   1.915   2.880  -2.753
  255   1HG   ABA  33           HG1      ABA  33  -0.272   2.086  -2.086
  256   2HG   ABA  33           HG2      ABA  33   0.286   0.378  -1.978
  257   3HG   ABA  33           HG3      ABA  33   0.982   1.587  -0.878
  258    H    ARG  34           HN       ARG  34   2.700  -0.622  -0.734
  259    HA   ARG  34           HA       ARG  34   2.611  -3.063  -2.384
  260   1HB   ARG  34           HB2      ARG  34   4.041  -2.414   0.239
  261   2HB   ARG  34           HB3      ARG  34   3.340  -4.054   0.054
  262   1HG   ARG  34           HG2      ARG  34   5.650  -4.128  -0.478
  263   2HG   ARG  34           HG3      ARG  34   4.628  -4.554  -1.893
  264   1HD   ARG  34           HD2      ARG  34   5.147  -2.322  -2.951
  265   2HD   ARG  34           HD3      ARG  34   6.042  -1.833  -1.459
  266    HE   ARG  34           HE       ARG  34   7.870  -3.093  -2.147
  267   1HH1  ARG  34           HH22     ARG  34   5.045  -4.201  -4.051
  268   2HH1  ARG  34           HH21     ARG  34   5.987  -5.232  -5.077
  269   1HH2  ARG  34           HH12     ARG  34   9.099  -4.484  -3.536
  270   2HH2  ARG  34           HH11     ARG  34   8.308  -5.393  -4.780
  271    H    CYS  35           HN       CYS  35   1.267  -4.755  -1.150
  272    HA   CYS  35           HA       CYS  35  -0.613  -3.684   0.711
  273   1HB   CYS  35           HB2      CYS  35  -1.510  -3.330  -1.755
  274   2HB   CYS  35           HB3      CYS  35  -1.869  -5.074  -1.722
  275    H    TYR  36           HN       TYR  36  -1.139  -5.099   2.098
  276    HA   TYR  36           HA       TYR  36   0.195  -7.749   1.984
  277   1HB   TYR  36           HB2      TYR  36   0.459  -5.392   3.952
  278   2HB   TYR  36           HB3      TYR  36   0.985  -7.046   4.428
  279    HD1  TYR  36           HD1      TYR  36   2.377  -8.101   2.091
  280    HD2  TYR  36           HD2      TYR  36   2.346  -4.121   3.703
  281    HE1  TYR  36           HE1      TYR  36   4.680  -7.752   1.275
  282    HE2  TYR  36           HE2      TYR  36   4.669  -3.778   2.928
  283    HH   TYR  36           HH       TYR  36   6.451  -6.375   1.191
  284    H    SER  37           HN       SER  37  -2.279  -8.061   1.509
  285    HA   SER  37           HA       SER  37  -3.958  -8.026   3.865
  286   1HB   SER  37           HB2      SER  37  -5.643  -9.162   2.401
  287   2HB   SER  37           HB3      SER  37  -5.084  -7.564   1.793
  288    HG   SER  37           HG       SER  37  -5.178  -9.139   0.186
   
  No H/Q in entry =         288
  Start of MODEL   12
    1    HA   PCA   1           HA       PGL   1  -4.643  -7.407  -5.793
    2   1HB   PCA   1           HB2      PGL   1  -2.914  -9.368  -4.562
    3   2HB   PCA   1           HB3      PGL   1  -4.545  -9.635  -5.260
    4   1HG   PCA   1           HG2      PGL   1  -1.852 -10.228  -6.524
    5   2HG   PCA   1           HG3      PGL   1  -3.457 -11.062  -6.747
    6    HN   PCA   1           HN       PGL   1  -3.742  -7.160  -8.027
    7    H    PHE   2           HN       PHE   2  -1.816  -6.474  -7.264
    8    HA   PHE   2           HA       PHE   2  -0.571  -5.296  -4.863
    9   1HB   PHE   2           HB2      PHE   2   0.676  -6.004  -7.607
   10   2HB   PHE   2           HB3      PHE   2   1.541  -5.252  -6.207
   11    HD1  PHE   2           HD1      PHE   2   1.304  -6.570  -3.909
   12    HD2  PHE   2           HD2      PHE   2   0.771  -8.324  -7.801
   13    HE1  PHE   2           HE1      PHE   2   1.715  -8.812  -2.958
   14    HE2  PHE   2           HE2      PHE   2   1.192 -10.564  -6.846
   15    HZ   PHE   2           HZ       PHE   2   1.650 -10.816  -4.420
   16    H    THR   3           HN       THR   3   0.358  -3.145  -5.207
   17    HA   THR   3           HA       THR   3  -1.208  -1.465  -7.046
   18    HB   THR   3           HB       THR   3  -0.731   0.298  -5.194
   19    HG1  THR   3           HG1      THR   3   0.513  -0.505  -3.756
   20   1HG2  THR   3           HG21     THR   3  -2.609  -2.112  -4.701
   21   2HG2  THR   3           HG22     THR   3  -2.663  -0.557  -3.801
   22   3HG2  THR   3           HG23     THR   3  -2.966  -0.574  -5.584
   23    H    ASN   4           HN       ASN   4  -0.002   0.419  -7.876
   24    HA   ASN   4           HA       ASN   4   2.906   0.235  -7.776
   25   1HB   ASN   4           HB2      ASN   4   3.027   0.425 -10.290
   26   2HB   ASN   4           HB3      ASN   4   2.471  -1.159  -9.689
   27   1HD2  ASN   4           HD22     ASN   4   0.129   0.960 -12.277
   28   2HD2  ASN   4           HD21     ASN   4   1.708   1.485 -11.793
   29    H    VAL   5           HN       VAL   5   1.486   1.921  -6.284
   30    HA   VAL   5           HA       VAL   5   1.538   4.545  -7.576
   31    HB   VAL   5           HB       VAL   5   0.975   4.049  -4.623
   32   1HG1  VAL   5           HG13     VAL   5  -0.108   6.022  -6.768
   33   2HG1  VAL   5           HG11     VAL   5  -0.625   5.958  -5.043
   34   3HG1  VAL   5           HG12     VAL   5   1.047   6.449  -5.451
   35   1HG2  VAL   5           HG23     VAL   5  -0.881   3.428  -6.994
   36   2HG2  VAL   5           HG21     VAL   5  -0.362   2.342  -5.634
   37   3HG2  VAL   5           HG22     VAL   5  -1.443   3.744  -5.315
   38    H    SER   6           HN       SER   6   2.616   6.129  -5.556
   39    HA   SER   6           HA       SER   6   5.342   5.096  -5.079
   40   1HB   SER   6           HB2      SER   6   6.099   7.526  -5.041
   41   2HB   SER   6           HB3      SER   6   5.680   6.809  -6.622
   42    HG   SER   6           HG       SER   6   4.820   8.874  -6.342
   43    H    CYS   7           HN       CYS   7   6.043   5.013  -3.062
   44    HA   CYS   7           HA       CYS   7   4.527   6.446  -0.913
   45   1HB   CYS   7           HB2      CYS   7   3.323   4.512  -0.966
   46   2HB   CYS   7           HB3      CYS   7   4.729   3.461  -1.080
   47    H    THR   8           HN       THR   8   5.695   6.844   0.890
   48    HA   THR   8           HA       THR   8   8.501   6.010   1.087
   49    HB   THR   8           HB       THR   8   9.060   8.316   2.041
   50    HG1  THR   8           HG1      THR   8   7.816   9.983   1.208
   51   1HG2  THR   8           HG22     THR   8   9.860   7.427  -0.174
   52   2HG2  THR   8           HG23     THR   8   8.399   8.114  -0.973
   53   3HG2  THR   8           HG21     THR   8   9.598   9.209  -0.194
   54    H    THR   9           HN       THR   9   5.605   7.481   2.655
   55    HA   THR   9           HA       THR   9   6.419   6.447   5.273
   56    HB   THR   9           HB       THR   9   4.521   7.959   6.103
   57    HG1  THR   9           HG1      THR   9   4.868   8.981   3.472
   58   1HG2  THR   9           HG22     THR   9   6.948   8.460   6.307
   59   2HG2  THR   9           HG23     THR   9   6.949   9.202   4.659
   60   3HG2  THR   9           HG21     THR   9   5.979   9.945   5.989
   61    H    SER  10           HN       SER  10   5.382   4.829   6.271
   62    HA   SER  10           HA       SER  10   3.298   3.367   4.895
   63   1HB   SER  10           HB2      SER  10   3.802   1.608   6.660
   64   2HB   SER  10           HB3      SER  10   5.161   2.057   5.579
   65    HG   SER  10           HG       SER  10   4.747   3.033   8.201
   66    H    LYS  11           HN       LYS  11   1.745   5.110   5.209
   67    HA   LYS  11           HA       LYS  11  -0.062   4.735   7.280
   68   1HB   LYS  11           HB2      LYS  11   1.845   6.201   8.406
   69   2HB   LYS  11           HB3      LYS  11   1.200   7.551   7.464
   70   1HG   LYS  11           HG2      LYS  11  -0.393   5.687   9.343
   71   2HG   LYS  11           HG3      LYS  11   0.435   7.171   9.924
   72   1HD   LYS  11           HD2      LYS  11  -1.917   7.183   7.914
   73   2HD   LYS  11           HD3      LYS  11  -2.046   7.340   9.685
   74   1HE   LYS  11           HE2      LYS  11  -2.186   9.566   8.802
   75   2HE   LYS  11           HE3      LYS  11  -0.573   9.417   9.606
   76   1HZ   LYS  11           HZ3      LYS  11   0.387   9.060   7.413
   77   2HZ   LYS  11           HZ1      LYS  11  -1.138   9.247   6.689
   78   3HZ   LYS  11           HZ2      LYS  11  -0.425  10.547   7.519
   79    H    GLU  12           HN       GLU  12   1.406   6.882   4.793
   80    HA   GLU  12           HA       GLU  12  -0.640   8.299   3.873
   81   1HB   GLU  12           HB2      GLU  12   1.955   8.189   3.498
   82   2HB   GLU  12           HB3      GLU  12   1.607   7.250   2.049
   83   1HG   GLU  12           HG2      GLU  12   0.453  10.053   2.714
   84   2HG   GLU  12           HG3      GLU  12   1.976   9.780   1.796
   85   1HN   ABA  13           HN       ABA  13   0.285   5.037   2.673
   86    HA   ABA  13           HA       ABA  13  -1.698   5.135   0.507
   87   1HB   ABA  13           HB3      ABA  13   0.610   4.936  -0.168
   88   2HB   ABA  13           HB2      ABA  13  -0.291   3.460  -0.562
   89   1HG   ABA  13           HG1      ABA  13   1.996   3.060   0.271
   90   2HG   ABA  13           HG2      ABA  13   1.613   3.841   1.849
   91   3HG   ABA  13           HG3      ABA  13   0.801   2.284   1.397
   92    H    TRP  14           HN       TRP  14  -2.552   4.598   3.251
   93    HA   TRP  14           HA       TRP  14  -3.255   1.800   3.339
   94   1HB   TRP  14           HB2      TRP  14  -3.709   4.154   5.230
   95   2HB   TRP  14           HB3      TRP  14  -4.459   2.544   5.511
   96    HD1  TRP  14           HD1      TRP  14  -0.680   3.204   4.472
   97    HE1  TRP  14           HE1      TRP  14   0.694   1.691   5.933
   98    HE3  TRP  14           HE3      TRP  14  -4.386   1.612   7.622
   99    HZ2  TRP  14           HZ2      TRP  14   0.325   0.039   8.241
  100    HZ3  TRP  14           HZ3      TRP  14  -3.814  -0.004   9.399
  101    HH2  TRP  14           HH2      TRP  14  -1.498  -0.824   9.665
  102    H    SER  15           HN       SER  15  -4.743   4.781   2.111
  103    HA   SER  15           HA       SER  15  -7.391   3.640   1.943
  104   1HB   SER  15           HB2      SER  15  -8.006   5.878   0.977
  105   2HB   SER  15           HB3      SER  15  -7.311   5.945   2.629
  106    HG   SER  15           HG       SER  15  -6.485   7.517   1.238
  107    H    VAL  16           HN       VAL  16  -4.541   3.232   0.335
  108    HA   VAL  16           HA       VAL  16  -5.632   2.993  -2.374
  109    HB   VAL  16           HB       VAL  16  -2.799   2.503  -1.321
  110   1HG1  VAL  16           HG12     VAL  16  -3.343   1.309  -3.496
  111   2HG1  VAL  16           HG13     VAL  16  -3.890   2.874  -4.199
  112   3HG1  VAL  16           HG11     VAL  16  -2.165   2.633  -3.707
  113   1HG2  VAL  16           HG22     VAL  16  -4.074   4.982  -2.655
  114   2HG2  VAL  16           HG23     VAL  16  -3.433   4.878  -0.970
  115   3HG2  VAL  16           HG21     VAL  16  -2.312   4.738  -2.365
  116    H    CYS  17           HN       CYS  17  -4.547   0.995   0.421
  117    HA   CYS  17           HA       CYS  17  -5.185  -1.493  -0.819
  118   1HB   CYS  17           HB2      CYS  17  -4.865  -0.556   2.099
  119   2HB   CYS  17           HB3      CYS  17  -5.223  -2.265   1.706
  120    H    GLN  18           HN       GLN  18  -7.253   1.063   0.486
  121    HA   GLN  18           HA       GLN  18  -9.336  -0.708   1.335
  122   1HB   GLN  18           HB2      GLN  18  -8.482   1.464   2.431
  123   2HB   GLN  18           HB3      GLN  18  -9.431   2.347   1.202
  124   1HG   GLN  18           HG2      GLN  18 -11.483   1.009   1.962
  125   2HG   GLN  18           HG3      GLN  18 -10.428   0.186   3.177
  126   1HE2  GLN  18           HE22     GLN  18  -9.920   3.284   5.147
  127   2HE2  GLN  18           HE21     GLN  18  -9.024   1.949   4.500
  128    H    ARG  19           HN       ARG  19  -8.735   1.652  -1.313
  129    HA   ARG  19           HA       ARG  19 -11.396   1.409  -2.392
  130   1HB   ARG  19           HB2      ARG  19  -9.050   3.144  -3.181
  131   2HB   ARG  19           HB3      ARG  19 -10.691   3.186  -3.938
  132   1HG   ARG  19           HG2      ARG  19 -11.665   3.565  -1.612
  133   2HG   ARG  19           HG3      ARG  19  -9.993   3.774  -1.002
  134   1HD   ARG  19           HD2      ARG  19 -11.312   5.405  -3.258
  135   2HD   ARG  19           HD3      ARG  19 -11.170   5.944  -1.527
  136    HE   ARG  19           HE       ARG  19  -8.770   5.297  -3.321
  137   1HH1  ARG  19           HH22     ARG  19 -10.304   7.484  -0.942
  138   2HH1  ARG  19           HH21     ARG  19  -8.928   8.530  -0.832
  139   1HH2  ARG  19           HH12     ARG  19  -6.948   6.698  -3.149
  140   2HH2  ARG  19           HH11     ARG  19  -6.995   8.077  -2.104
  141    H    LEU  20           HN       LEU  20  -8.366  -0.217  -2.946
  142    HA   LEU  20           HA       LEU  20  -8.860  -0.867  -5.750
  143   1HB   LEU  20           HB2      LEU  20  -6.626  -1.225  -3.734
  144   2HB   LEU  20           HB3      LEU  20  -6.657  -2.366  -5.114
  145    HG   LEU  20           HG       LEU  20  -5.148  -0.428  -5.313
  146   1HD1  LEU  20           HD13     LEU  20  -5.800  -1.853  -7.239
  147   2HD1  LEU  20           HD11     LEU  20  -7.223  -0.791  -7.564
  148   3HD1  LEU  20           HD12     LEU  20  -5.551  -0.145  -7.761
  149   1HD2  LEU  20           HD21     LEU  20  -6.632   1.443  -4.508
  150   2HD2  LEU  20           HD22     LEU  20  -5.920   1.758  -6.133
  151   3HD2  LEU  20           HD23     LEU  20  -7.642   1.250  -5.989
  152    H    HIS  21           HN       HIS  21  -8.099  -2.686  -2.709
  153    HA   HIS  21           HA       HIS  21  -9.929  -4.840  -3.506
  154   1HB   HIS  21           HB2      HIS  21  -8.424  -5.980  -1.526
  155   2HB   HIS  21           HB3      HIS  21  -8.060  -6.036  -3.276
  156    HD1  HIS  21           HD1      HIS  21  -6.841  -4.449  -0.120
  157    HD2  HIS  21           HD2      HIS  21  -5.782  -4.506  -4.179
  158    HE1  HIS  21           HE1      HIS  21  -4.564  -3.390  -0.393
  159    H    ASN  22           HN       ASN  22  -9.048  -4.671  -0.179
  160    HA   ASN  22           HA       ASN  22 -10.870  -2.853   0.812
  161   1HB   ASN  22           HB2      ASN  22 -12.772  -4.430   1.668
  162   2HB   ASN  22           HB3      ASN  22 -12.837  -3.857  -0.005
  163   1HD2  ASN  22           HD22     ASN  22 -13.137  -7.066  -1.376
  164   2HD2  ASN  22           HD21     ASN  22 -13.388  -5.356  -1.492
  165    H    THR  23           HN       THR  23  -8.616  -2.939   1.842
  166    HA   THR  23           HA       THR  23  -8.995  -4.218   4.378
  167    HB   THR  23           HB       THR  23  -7.882  -6.019   3.059
  168    HG1  THR  23           HG1      THR  23  -7.737  -5.846   5.277
  169   1HG2  THR  23           HG21     THR  23  -5.460  -4.099   3.037
  170   2HG2  THR  23           HG22     THR  23  -5.431  -5.855   2.683
  171   3HG2  THR  23           HG23     THR  23  -6.367  -4.737   1.601
  172    H    SER  24           HN       SER  24  -6.410  -3.576   5.422
  173    HA   SER  24           HA       SER  24  -6.324  -0.655   5.180
  174   1HB   SER  24           HB2      SER  24  -6.605  -2.245   7.815
  175   2HB   SER  24           HB3      SER  24  -6.247  -0.476   7.689
  176    HG   SER  24           HG       SER  24  -8.224  -0.261   6.599
  177    H    ARG  25           HN       ARG  25  -4.828  -3.839   6.005
  178    HA   ARG  25           HA       ARG  25  -2.385  -2.563   6.840
  179   1HB   ARG  25           HB2      ARG  25  -1.584  -4.903   7.338
  180   2HB   ARG  25           HB3      ARG  25  -2.896  -4.236   8.334
  181   1HG   ARG  25           HG2      ARG  25  -3.689  -5.945   5.944
  182   2HG   ARG  25           HG3      ARG  25  -2.983  -6.733   7.395
  183   1HD   ARG  25           HD2      ARG  25  -4.673  -5.872   8.876
  184   2HD   ARG  25           HD3      ARG  25  -5.315  -4.744   7.605
  185    HE   ARG  25           HE       ARG  25  -5.723  -6.975   6.251
  186   1HH1  ARG  25           HH22     ARG  25  -6.343  -6.439   9.741
  187   2HH1  ARG  25           HH21     ARG  25  -7.761  -7.435   9.773
  188   1HH2  ARG  25           HH12     ARG  25  -7.583  -8.374   6.351
  189   2HH2  ARG  25           HH11     ARG  25  -8.471  -8.544   7.829
  190    H    GLY  26           HN       GLY  26  -0.672  -2.403   5.690
  191   1HA   GLY  26           HA1      GLY  26   0.378  -3.496   3.491
  192   2HA   GLY  26           HA2      GLY  26  -1.014  -2.513   2.868
  193    H    LYS  27           HN       LYS  27   2.094  -2.243   2.910
  194    HA   LYS  27           HA       LYS  27   2.296   0.484   3.979
  195   1HB   LYS  27           HB2      LYS  27   4.372  -1.771   4.416
  196   2HB   LYS  27           HB3      LYS  27   4.506  -0.055   4.944
  197   1HG   LYS  27           HG2      LYS  27   2.449  -0.433   6.390
  198   2HG   LYS  27           HG3      LYS  27   2.549  -2.184   5.959
  199   1HD   LYS  27           HD2      LYS  27   4.809  -2.330   6.968
  200   2HD   LYS  27           HD3      LYS  27   4.791  -0.561   7.308
  201   1HE   LYS  27           HE2      LYS  27   2.829  -0.844   8.837
  202   2HE   LYS  27           HE3      LYS  27   2.825  -2.627   8.519
  203   1HZ   LYS  27           HZ1      LYS  27   5.052  -2.725   9.435
  204   2HZ   LYS  27           HZ2      LYS  27   5.031  -1.055   9.746
  205   3HZ   LYS  27           HZ3      LYS  27   3.943  -2.081  10.550
  206    H    CYS  28           HN       CYS  28   5.289  -0.059   3.175
  207    HA   CYS  28           HA       CYS  28   5.148  -0.522   0.350
  208   1HB   CYS  28           HB2      CYS  28   6.046   1.804  -0.277
  209   2HB   CYS  28           HB3      CYS  28   4.360   1.709   0.246
  210    H    MET  29           HN       MET  29   7.415   0.086  -0.603
  211    HA   MET  29           HA       MET  29   9.469  -1.037   1.107
  212   1HB   MET  29           HB2      MET  29   8.745  -1.896  -1.223
  213   2HB   MET  29           HB3      MET  29   9.607  -0.498  -1.905
  214   1HG   MET  29           HG2      MET  29  11.666  -1.370  -0.508
  215   2HG   MET  29           HG3      MET  29  10.667  -2.813  -0.157
  216   1HE   MET  29           HE2      MET  29   9.687  -4.427  -2.012
  217   2HE   MET  29           HE3      MET  29   9.064  -3.120  -3.080
  218   3HE   MET  29           HE1      MET  29  10.126  -4.397  -3.754
  219    H    ASN  30           HN       ASN  30  11.102   0.631  -1.154
  220    HA   ASN  30           HA       ASN  30  11.544   2.965   0.477
  221   1HB   ASN  30           HB2      ASN  30  13.420   3.466  -1.158
  222   2HB   ASN  30           HB3      ASN  30  13.532   1.965  -0.202
  223   1HD2  ASN  30           HD22     ASN  30  13.420   1.748  -4.307
  224   2HD2  ASN  30           HD21     ASN  30  13.271   3.262  -3.478
  225    H    LYS  31           HN       LYS  31  10.022   2.300  -2.656
  226    HA   LYS  31           HA       LYS  31   9.336   5.141  -2.969
  227   1HB   LYS  31           HB2      LYS  31  10.917   3.359  -4.870
  228   2HB   LYS  31           HB3      LYS  31  10.053   4.777  -5.509
  229   1HG   LYS  31           HG2      LYS  31  12.196   4.870  -3.361
  230   2HG   LYS  31           HG3      LYS  31  12.444   5.235  -5.105
  231   1HD   LYS  31           HD2      LYS  31  10.557   6.835  -3.249
  232   2HD   LYS  31           HD3      LYS  31  12.292   7.195  -3.495
  233   1HE   LYS  31           HE2      LYS  31  11.106   8.711  -4.925
  234   2HE   LYS  31           HE3      LYS  31  11.874   7.475  -5.999
  235   1HZ   LYS  31           HZ1      LYS  31   9.029   7.537  -5.119
  236   2HZ   LYS  31           HZ2      LYS  31   9.632   7.982  -6.643
  237   3HZ   LYS  31           HZ3      LYS  31   9.739   6.368  -6.126
  238    H    LYS  32           HN       LYS  32   7.899   1.962  -2.979
  239    HA   LYS  32           HA       LYS  32   5.773   3.138  -4.581
  240   1HB   LYS  32           HB2      LYS  32   5.503   1.467  -6.104
  241   2HB   LYS  32           HB3      LYS  32   7.217   1.945  -6.230
  242   1HG   LYS  32           HG2      LYS  32   7.880  -0.078  -4.841
  243   2HG   LYS  32           HG3      LYS  32   6.154  -0.587  -4.830
  244   1HD   LYS  32           HD2      LYS  32   6.266  -0.357  -7.418
  245   2HD   LYS  32           HD3      LYS  32   8.054  -0.315  -7.210
  246   1HE   LYS  32           HE2      LYS  32   7.258  -2.640  -7.770
  247   2HE   LYS  32           HE3      LYS  32   7.909  -2.626  -6.085
  248   1HZ   LYS  32           HZ1      LYS  32   5.042  -2.343  -6.830
  249   2HZ   LYS  32           HZ2      LYS  32   5.781  -3.781  -6.304
  250   3HZ   LYS  32           HZ3      LYS  32   5.677  -2.441  -5.264
  251   1HN   ABA  33           HN       ABA  33   3.696   2.141  -4.311
  252    HA   ABA  33           HA       ABA  33   3.247   1.350  -1.631
  253   1HB   ABA  33           HB3      ABA  33   1.381   1.691  -4.016
  254   2HB   ABA  33           HB2      ABA  33   1.874   2.936  -2.813
  255   1HG   ABA  33           HG1      ABA  33   0.179   0.446  -2.164
  256   2HG   ABA  33           HG2      ABA  33   0.896   1.572  -0.979
  257   3HG   ABA  33           HG3      ABA  33  -0.314   2.179  -2.181
  258    H    ARG  34           HN       ARG  34   2.587  -0.623  -0.855
  259    HA   ARG  34           HA       ARG  34   2.238  -2.943  -2.616
  260   1HB   ARG  34           HB2      ARG  34   4.046  -2.636  -0.141
  261   2HB   ARG  34           HB3      ARG  34   3.415  -4.245  -0.617
  262   1HG   ARG  34           HG2      ARG  34   5.102  -2.456  -2.462
  263   2HG   ARG  34           HG3      ARG  34   5.775  -3.722  -1.391
  264   1HD   ARG  34           HD2      ARG  34   3.695  -4.261  -3.628
  265   2HD   ARG  34           HD3      ARG  34   5.467  -4.498  -3.799
  266    HE   ARG  34           HE       ARG  34   3.594  -6.000  -1.929
  267   1HH1  ARG  34           HH12     ARG  34   6.801  -5.856  -3.547
  268   2HH1  ARG  34           HH11     ARG  34   7.283  -7.413  -2.962
  269   1HH2  ARG  34           HH22     ARG  34   4.295  -8.063  -1.166
  270   2HH2  ARG  34           HH21     ARG  34   5.855  -8.673  -1.604
  271    H    CYS  35           HN       CYS  35   1.233  -4.727  -1.002
  272    HA   CYS  35           HA       CYS  35  -0.225  -3.598   1.110
  273   1HB   CYS  35           HB2      CYS  35  -1.760  -3.230  -0.976
  274   2HB   CYS  35           HB3      CYS  35  -2.084  -4.974  -0.908
  275    H    TYR  36           HN       TYR  36  -0.738  -5.110   2.576
  276    HA   TYR  36           HA       TYR  36   0.702  -7.677   2.331
  277   1HB   TYR  36           HB2      TYR  36   0.922  -5.299   4.263
  278   2HB   TYR  36           HB3      TYR  36   1.561  -6.904   4.767
  279    HD1  TYR  36           HD1      TYR  36   2.923  -7.834   2.245
  280    HD2  TYR  36           HD2      TYR  36   2.722  -3.943   4.059
  281    HE1  TYR  36           HE1      TYR  36   5.029  -7.205   1.135
  282    HE2  TYR  36           HE2      TYR  36   4.822  -3.307   2.944
  283    HH   TYR  36           HH       TYR  36   6.551  -5.582   0.763
  284    H    SER  37           HN       SER  37  -1.670  -8.161   1.932
  285    HA   SER  37           HA       SER  37  -3.582  -7.747   3.958
  286   1HB   SER  37           HB2      SER  37  -3.613  -9.697   1.582
  287   2HB   SER  37           HB3      SER  37  -5.041  -9.190   2.565
  288    HG   SER  37           HG       SER  37  -4.601  -7.056   1.887
   
  No H/Q in entry =         288
  Start of MODEL   13
    1    HA   PCA   1           HA       PGL   1  -4.185  -7.936  -4.304
    2   1HB   PCA   1           HB2      PGL   1  -1.674  -9.701  -4.527
    3   2HB   PCA   1           HB3      PGL   1  -3.136  -9.941  -3.497
    4   1HG   PCA   1           HG2      PGL   1  -2.632 -11.263  -5.935
    5   2HG   PCA   1           HG3      PGL   1  -4.321 -10.923  -5.340
    6    HN   PCA   1           HN       PGL   1  -3.639  -7.344  -6.734
    7    H    PHE   2           HN       PHE   2  -2.210  -6.369  -6.364
    8    HA   PHE   2           HA       PHE   2  -0.230  -5.380  -4.417
    9   1HB   PHE   2           HB2      PHE   2   0.136  -5.914  -7.456
   10   2HB   PHE   2           HB3      PHE   2   1.402  -5.349  -6.299
   11    HD1  PHE   2           HD1      PHE   2   1.670  -6.959  -4.146
   12    HD2  PHE   2           HD2      PHE   2   0.073  -8.166  -7.954
   13    HE1  PHE   2           HE1      PHE   2   2.165  -9.321  -3.610
   14    HE2  PHE   2           HE2      PHE   2   0.579 -10.524  -7.418
   15    HZ   PHE   2           HZ       PHE   2   1.623 -11.108  -5.244
   16    H    THR   3           HN       THR   3   0.564  -3.211  -4.907
   17    HA   THR   3           HA       THR   3  -1.067  -1.577  -6.721
   18    HB   THR   3           HB       THR   3  -0.557   0.349  -5.077
   19    HG1  THR   3           HG1      THR   3   0.206  -0.109  -3.247
   20   1HG2  THR   3           HG23     THR   3  -2.519  -1.899  -4.292
   21   2HG2  THR   3           HG21     THR   3  -2.530  -0.229  -3.635
   22   3HG2  THR   3           HG22     THR   3  -2.820  -0.489  -5.394
   23    H    ASN   4           HN       ASN   4   0.237   0.260  -7.554
   24    HA   ASN   4           HA       ASN   4   3.117  -0.039  -7.458
   25   1HB   ASN   4           HB2      ASN   4   3.230  -0.077 -10.010
   26   2HB   ASN   4           HB3      ASN   4   2.700  -1.602  -9.258
   27   1HD2  ASN   4           HD22     ASN   4  -0.583  -1.637 -10.668
   28   2HD2  ASN   4           HD21     ASN   4   0.439  -2.259  -9.416
   29    H    VAL   5           HN       VAL   5   1.739   1.812  -6.157
   30    HA   VAL   5           HA       VAL   5   1.828   4.281  -7.735
   31    HB   VAL   5           HB       VAL   5   1.239   4.199  -4.749
   32   1HG1  VAL   5           HG13     VAL   5   0.128   5.807  -7.156
   33   2HG1  VAL   5           HG11     VAL   5  -0.350   6.013  -5.429
   34   3HG1  VAL   5           HG12     VAL   5   1.316   6.420  -5.940
   35   1HG2  VAL   5           HG21     VAL   5  -0.645   3.185  -6.962
   36   2HG2  VAL   5           HG22     VAL   5  -0.072   2.335  -5.464
   37   3HG2  VAL   5           HG23     VAL   5  -1.171   3.754  -5.341
   38    H    SER   6           HN       SER   6   2.928   6.087  -5.953
   39    HA   SER   6           HA       SER   6   5.596   5.035  -5.240
   40   1HB   SER   6           HB2      SER   6   6.387   7.454  -5.416
   41   2HB   SER   6           HB3      SER   6   6.035   6.575  -6.931
   42    HG   SER   6           HG       SER   6   3.996   7.599  -6.962
   43    H    CYS   7           HN       CYS   7   6.181   5.133  -3.192
   44    HA   CYS   7           HA       CYS   7   4.241   6.319  -1.271
   45   1HB   CYS   7           HB2      CYS   7   4.702   4.812   0.344
   46   2HB   CYS   7           HB3      CYS   7   4.651   3.885  -1.143
   47    H    THR   8           HN       THR   8   5.121   7.185   0.776
   48    HA   THR   8           HA       THR   8   7.871   8.169   0.728
   49    HB   THR   8           HB       THR   8   7.116  10.255   1.975
   50    HG1  THR   8           HG1      THR   8   4.653   9.582   0.725
   51   1HG2  THR   8           HG23     THR   8   7.987  10.254  -0.368
   52   2HG2  THR   8           HG21     THR   8   6.315  10.002  -0.997
   53   3HG2  THR   8           HG22     THR   8   6.731  11.516  -0.113
   54    H    THR   9           HN       THR   9   4.832   7.620   2.589
   55    HA   THR   9           HA       THR   9   6.398   6.595   4.868
   56    HB   THR   9           HB       THR   9   4.522   7.474   6.326
   57    HG1  THR   9           HG1      THR   9   3.334   9.171   5.453
   58   1HG2  THR   9           HG22     THR   9   6.758   8.582   6.105
   59   2HG2  THR   9           HG23     THR   9   6.125   9.587   4.746
   60   3HG2  THR   9           HG21     THR   9   5.422   9.756   6.397
   61    H    SER  10           HN       SER  10   5.367   4.983   6.121
   62    HA   SER  10           HA       SER  10   3.264   3.396   4.870
   63   1HB   SER  10           HB2      SER  10   3.732   1.740   6.724
   64   2HB   SER  10           HB3      SER  10   5.067   2.020   5.559
   65    HG   SER  10           HG       SER  10   6.003   3.431   7.044
   66    H    LYS  11           HN       LYS  11   1.684   4.977   5.046
   67    HA   LYS  11           HA       LYS  11  -0.042   4.723   7.172
   68   1HB   LYS  11           HB2      LYS  11   1.532   6.533   8.260
   69   2HB   LYS  11           HB3      LYS  11   0.902   7.653   7.022
   70   1HG   LYS  11           HG2      LYS  11  -1.494   6.776   7.924
   71   2HG   LYS  11           HG3      LYS  11  -0.539   6.237   9.337
   72   1HD   LYS  11           HD2      LYS  11  -0.745   9.107   8.206
   73   2HD   LYS  11           HD3      LYS  11  -1.654   8.454   9.614
   74   1HE   LYS  11           HE2      LYS  11   0.523   8.114  10.858
   75   2HE   LYS  11           HE3      LYS  11   1.416   8.850   9.461
   76   1HZ   LYS  11           HZ2      LYS  11   0.090  10.844   9.763
   77   2HZ   LYS  11           HZ3      LYS  11  -0.699  10.150  11.095
   78   3HZ   LYS  11           HZ1      LYS  11   0.970  10.455  11.163
   79    H    GLU  12           HN       GLU  12   1.213   6.634   4.411
   80    HA   GLU  12           HA       GLU  12  -0.932   7.672   3.240
   81   1HB   GLU  12           HB2      GLU  12   1.661   7.745   2.922
   82   2HB   GLU  12           HB3      GLU  12   1.481   6.409   1.782
   83   1HG   GLU  12           HG2      GLU  12  -0.181   7.901   0.451
   84   2HG   GLU  12           HG3      GLU  12   0.191   9.210   1.641
   85   1HN   ABA  13           HN       ABA  13   0.047   4.342   3.200
   86    HA   ABA  13           HA       ABA  13  -1.072   3.637   0.647
   87   1HB   ABA  13           HB3      ABA  13   0.120   1.562   0.943
   88   2HB   ABA  13           HB2      ABA  13   0.326   1.843   2.713
   89   1HG   ABA  13           HG1      ABA  13   1.629   3.588   0.518
   90   2HG   ABA  13           HG2      ABA  13   1.875   3.722   2.311
   91   3HG   ABA  13           HG3      ABA  13   2.384   2.234   1.434
   92    H    TRP  14           HN       TRP  14  -2.502   3.897   3.606
   93    HA   TRP  14           HA       TRP  14  -4.039   1.479   3.806
   94   1HB   TRP  14           HB2      TRP  14  -3.629   4.082   5.316
   95   2HB   TRP  14           HB3      TRP  14  -5.172   3.222   5.625
   96    HD1  TRP  14           HD1      TRP  14  -5.258   1.286   7.122
   97    HE1  TRP  14           HE1      TRP  14  -3.613  -0.278   8.239
   98    HE3  TRP  14           HE3      TRP  14  -0.951   3.042   5.045
   99    HZ2  TRP  14           HZ2      TRP  14  -0.767  -0.516   8.549
  100    HZ3  TRP  14           HZ3      TRP  14   1.189   2.026   5.702
  101    HH2  TRP  14           HH2      TRP  14   1.298   0.317   7.473
  102    H    SER  15           HN       SER  15  -4.532   4.701   2.320
  103    HA   SER  15           HA       SER  15  -7.344   4.189   1.840
  104   1HB   SER  15           HB2      SER  15  -7.291   6.492   0.799
  105   2HB   SER  15           HB3      SER  15  -6.838   6.432   2.532
  106    HG   SER  15           HG       SER  15  -5.471   7.733   1.309
  107    H    VAL  16           HN       VAL  16  -4.354   3.266   0.447
  108    HA   VAL  16           HA       VAL  16  -5.329   3.310  -2.297
  109    HB   VAL  16           HB       VAL  16  -2.617   2.361  -1.241
  110   1HG1  VAL  16           HG11     VAL  16  -3.294   1.642  -3.607
  111   2HG1  VAL  16           HG12     VAL  16  -3.561   3.370  -4.021
  112   3HG1  VAL  16           HG13     VAL  16  -1.914   2.785  -3.574
  113   1HG2  VAL  16           HG22     VAL  16  -3.528   5.171  -2.148
  114   2HG2  VAL  16           HG23     VAL  16  -2.929   4.706  -0.509
  115   3HG2  VAL  16           HG21     VAL  16  -1.818   4.652  -1.916
  116    H    CYS  17           HN       CYS  17  -4.726   1.036   0.462
  117    HA   CYS  17           HA       CYS  17  -5.209  -1.316  -1.160
  118   1HB   CYS  17           HB2      CYS  17  -4.619  -0.653   1.777
  119   2HB   CYS  17           HB3      CYS  17  -5.192  -2.293   1.374
  120    H    GLN  18           HN       GLN  18  -7.162   1.047   0.546
  121    HA   GLN  18           HA       GLN  18  -9.332  -0.700   1.176
  122   1HB   GLN  18           HB2      GLN  18  -8.386   1.119   2.612
  123   2HB   GLN  18           HB3      GLN  18  -8.988   2.345   1.447
  124   1HG   GLN  18           HG2      GLN  18 -11.346   1.428   1.883
  125   2HG   GLN  18           HG3      GLN  18 -10.606   0.276   3.074
  126   1HE2  GLN  18           HE22     GLN  18  -9.575   3.040   5.346
  127   2HE2  GLN  18           HE21     GLN  18  -8.912   1.612   4.626
  128    H    ARG  19           HN       ARG  19  -8.433   1.771  -1.255
  129    HA   ARG  19           HA       ARG  19 -11.065   1.926  -2.394
  130   1HB   ARG  19           HB2      ARG  19 -10.530   3.832  -3.307
  131   2HB   ARG  19           HB3      ARG  19  -9.255   3.779  -2.070
  132   1HG   ARG  19           HG2      ARG  19  -8.165   4.606  -3.901
  133   2HG   ARG  19           HG3      ARG  19  -7.636   2.898  -3.863
  134   1HD   ARG  19           HD2      ARG  19  -8.107   3.801  -6.213
  135   2HD   ARG  19           HD3      ARG  19  -9.132   2.390  -5.786
  136    HE   ARG  19           HE       ARG  19 -11.064   3.720  -5.628
  137   1HH1  ARG  19           HH12     ARG  19  -8.260   5.802  -6.405
  138   2HH1  ARG  19           HH11     ARG  19  -9.241   7.139  -6.908
  139   1HH2  ARG  19           HH22     ARG  19 -12.342   5.520  -6.307
  140   2HH2  ARG  19           HH21     ARG  19 -11.583   6.977  -6.851
  141    H    LEU  20           HN       LEU  20  -8.167   0.026  -2.991
  142    HA   LEU  20           HA       LEU  20  -8.959  -0.770  -5.650
  143   1HB   LEU  20           HB2      LEU  20  -6.617  -0.213  -5.208
  144   2HB   LEU  20           HB3      LEU  20  -6.551  -1.402  -3.874
  145    HG   LEU  20           HG       LEU  20  -6.856  -3.253  -5.433
  146   1HD1  LEU  20           HD12     LEU  20  -8.222  -2.213  -7.258
  147   2HD1  LEU  20           HD13     LEU  20  -6.828  -1.165  -7.722
  148   3HD1  LEU  20           HD11     LEU  20  -6.730  -2.954  -7.931
  149   1HD2  LEU  20           HD21     LEU  20  -4.574  -2.512  -4.907
  150   2HD2  LEU  20           HD22     LEU  20  -4.668  -3.185  -6.576
  151   3HD2  LEU  20           HD23     LEU  20  -4.579  -1.402  -6.334
  152    H    HIS  21           HN       HIS  21  -8.589  -2.189  -2.306
  153    HA   HIS  21           HA       HIS  21 -10.124  -4.549  -3.172
  154   1HB   HIS  21           HB2      HIS  21  -7.777  -4.362  -1.197
  155   2HB   HIS  21           HB3      HIS  21  -8.774  -5.835  -1.502
  156    HD1  HIS  21           HD1      HIS  21  -8.488  -6.832  -4.046
  157    HD2  HIS  21           HD2      HIS  21  -5.644  -3.972  -2.878
  158    HE1  HIS  21           HE1      HIS  21  -6.468  -7.034  -5.599
  159    H    ASN  22           HN       ASN  22  -9.251  -4.444   0.047
  160    HA   ASN  22           HA       ASN  22 -11.033  -2.735   1.258
  161   1HB   ASN  22           HB2      ASN  22 -12.807  -4.277   2.164
  162   2HB   ASN  22           HB3      ASN  22 -12.983  -3.936   0.428
  163   1HD2  ASN  22           HD22     ASN  22 -12.398  -7.322  -0.682
  164   2HD2  ASN  22           HD21     ASN  22 -12.238  -5.661  -1.148
  165    H    THR  23           HN       THR  23  -8.653  -2.775   1.896
  166    HA   THR  23           HA       THR  23  -8.325  -4.418   4.258
  167    HB   THR  23           HB       THR  23  -7.302  -6.032   3.091
  168    HG1  THR  23           HG1      THR  23  -5.176  -4.199   3.336
  169   1HG2  THR  23           HG22     THR  23  -6.199  -4.032   1.040
  170   2HG2  THR  23           HG23     THR  23  -5.839  -5.799   1.120
  171   3HG2  THR  23           HG21     THR  23  -7.522  -5.243   0.814
  172    H    SER  24           HN       SER  24  -6.593  -3.708   5.582
  173    HA   SER  24           HA       SER  24  -5.735  -0.953   5.354
  174   1HB   SER  24           HB2      SER  24  -6.544  -0.488   7.728
  175   2HB   SER  24           HB3      SER  24  -7.831  -0.573   6.488
  176    HG   SER  24           HG       SER  24  -8.363  -1.690   8.355
  177    H    ARG  25           HN       ARG  25  -4.554  -3.608   4.937
  178    HA   ARG  25           HA       ARG  25  -2.388  -3.350   6.826
  179   1HB   ARG  25           HB2      ARG  25  -1.956  -5.845   6.722
  180   2HB   ARG  25           HB3      ARG  25  -3.230  -5.289   7.838
  181   1HG   ARG  25           HG2      ARG  25  -3.972  -6.320   5.063
  182   2HG   ARG  25           HG3      ARG  25  -3.633  -7.433   6.416
  183   1HD   ARG  25           HD2      ARG  25  -5.444  -6.742   7.736
  184   2HD   ARG  25           HD3      ARG  25  -5.618  -5.164   6.869
  185    HE   ARG  25           HE       ARG  25  -6.181  -6.793   4.796
  186   1HH1  ARG  25           HH12     ARG  25  -7.444  -6.808   8.152
  187   2HH1  ARG  25           HH11     ARG  25  -9.013  -7.376   7.685
  188   1HH2  ARG  25           HH22     ARG  25  -8.252  -7.636   4.225
  189   2HH2  ARG  25           HH21     ARG  25  -9.479  -7.852   5.431
  190    H    GLY  26           HN       GLY  26  -0.898  -2.543   5.501
  191   1HA   GLY  26           HA1      GLY  26   0.028  -3.529   3.131
  192   2HA   GLY  26           HA2      GLY  26  -1.322  -2.367   2.746
  193    H    LYS  27           HN       LYS  27   1.896  -2.428   2.832
  194    HA   LYS  27           HA       LYS  27   2.335   0.093   4.278
  195   1HB   LYS  27           HB2      LYS  27   4.199  -2.371   4.197
  196   2HB   LYS  27           HB3      LYS  27   4.518  -0.809   5.038
  197   1HG   LYS  27           HG2      LYS  27   2.635  -1.263   6.592
  198   2HG   LYS  27           HG3      LYS  27   2.287  -2.811   5.741
  199   1HD   LYS  27           HD2      LYS  27   4.574  -3.641   6.274
  200   2HD   LYS  27           HD3      LYS  27   4.918  -2.118   7.174
  201   1HE   LYS  27           HE2      LYS  27   3.063  -2.648   8.794
  202   2HE   LYS  27           HE3      LYS  27   2.688  -4.161   7.869
  203   1HZ   LYS  27           HZ1      LYS  27   4.904  -4.941   8.349
  204   2HZ   LYS  27           HZ2      LYS  27   5.262  -3.526   9.217
  205   3HZ   LYS  27           HZ3      LYS  27   4.057  -4.584   9.778
  206    H    CYS  28           HN       CYS  28   5.239  -0.364   3.301
  207    HA   CYS  28           HA       CYS  28   5.025  -0.329   0.455
  208   1HB   CYS  28           HB2      CYS  28   4.916   2.024   0.085
  209   2HB   CYS  28           HB3      CYS  28   4.370   2.092   1.743
  210    H    MET  29           HN       MET  29   7.306   0.486  -0.403
  211    HA   MET  29           HA       MET  29   9.265  -1.124   1.078
  212   1HB   MET  29           HB2      MET  29   8.295  -1.851  -1.232
  213   2HB   MET  29           HB3      MET  29   9.311  -0.566  -1.931
  214   1HG   MET  29           HG2      MET  29  11.305  -1.715  -0.700
  215   2HG   MET  29           HG3      MET  29  10.140  -2.975  -0.184
  216   1HE   MET  29           HE2      MET  29  11.868  -4.670  -1.107
  217   2HE   MET  29           HE3      MET  29  12.506  -4.708  -2.786
  218   3HE   MET  29           HE1      MET  29  12.929  -3.344  -1.696
  219    H    ASN  30           HN       ASN  30  11.071   0.250  -1.155
  220    HA   ASN  30           HA       ASN  30  11.848   2.525   0.421
  221   1HB   ASN  30           HB2      ASN  30  13.749   2.688  -1.322
  222   2HB   ASN  30           HB3      ASN  30  13.685   1.288  -0.224
  223   1HD2  ASN  30           HD22     ASN  30  13.701  -1.111  -2.777
  224   2HD2  ASN  30           HD21     ASN  30  13.976  -0.683  -1.119
  225    H    LYS  31           HN       LYS  31  10.209   2.040  -2.683
  226    HA   LYS  31           HA       LYS  31   9.964   4.969  -3.031
  227   1HB   LYS  31           HB2      LYS  31  10.763   2.840  -5.092
  228   2HB   LYS  31           HB3      LYS  31  10.269   4.508  -5.533
  229   1HG   LYS  31           HG2      LYS  31  12.134   5.503  -4.361
  230   2HG   LYS  31           HG3      LYS  31  12.656   3.905  -3.737
  231   1HD   LYS  31           HD2      LYS  31  14.121   4.438  -5.499
  232   2HD   LYS  31           HD3      LYS  31  13.080   3.104  -6.087
  233   1HE   LYS  31           HE2      LYS  31  12.605   6.098  -6.778
  234   2HE   LYS  31           HE3      LYS  31  13.650   4.998  -7.762
  235   1HZ   LYS  31           HZ3      LYS  31  11.762   3.582  -8.130
  236   2HZ   LYS  31           HZ1      LYS  31  10.764   4.601  -7.209
  237   3HZ   LYS  31           HZ2      LYS  31  11.455   5.168  -8.653
  238    H    LYS  32           HN       LYS  32   8.062   2.035  -2.697
  239    HA   LYS  32           HA       LYS  32   6.012   3.135  -4.457
  240   1HB   LYS  32           HB2      LYS  32   5.702   1.251  -5.762
  241   2HB   LYS  32           HB3      LYS  32   7.400   1.763  -5.939
  242   1HG   LYS  32           HG2      LYS  32   8.011  -0.033  -4.151
  243   2HG   LYS  32           HG3      LYS  32   6.348  -0.690  -4.410
  244   1HD   LYS  32           HD2      LYS  32   6.837  -0.890  -6.856
  245   2HD   LYS  32           HD3      LYS  32   8.482  -0.222  -6.566
  246   1HE   LYS  32           HE2      LYS  32   9.013  -2.185  -5.055
  247   2HE   LYS  32           HE3      LYS  32   7.379  -2.884  -5.401
  248   1HZ   LYS  32           HZ2      LYS  32   7.990  -2.963  -7.735
  249   2HZ   LYS  32           HZ3      LYS  32   9.529  -2.334  -7.380
  250   3HZ   LYS  32           HZ1      LYS  32   9.070  -3.851  -6.769
  251   1HN   ABA  33           HN       ABA  33   3.929   2.108  -4.167
  252    HA   ABA  33           HA       ABA  33   3.429   1.535  -1.377
  253   1HB   ABA  33           HB3      ABA  33   1.686   2.199  -3.816
  254   2HB   ABA  33           HB2      ABA  33   2.266   3.332  -2.539
  255   1HG   ABA  33           HG1      ABA  33   0.016   2.879  -1.969
  256   2HG   ABA  33           HG2      ABA  33   0.213   1.087  -2.137
  257   3HG   ABA  33           HG3      ABA  33   1.088   1.967  -0.832
  258    H    ARG  34           HN       ARG  34   2.437  -0.398  -0.690
  259    HA   ARG  34           HA       ARG  34   2.075  -2.547  -2.639
  260   1HB   ARG  34           HB2      ARG  34   4.454  -2.428  -1.201
  261   2HB   ARG  34           HB3      ARG  34   3.462  -3.437  -0.118
  262   1HG   ARG  34           HG2      ARG  34   2.844  -4.771  -2.334
  263   2HG   ARG  34           HG3      ARG  34   4.223  -3.884  -3.066
  264   1HD   ARG  34           HD2      ARG  34   4.299  -5.802  -0.631
  265   2HD   ARG  34           HD3      ARG  34   4.930  -6.128  -2.308
  266    HE   ARG  34           HE       ARG  34   6.108  -3.712  -1.083
  267   1HH1  ARG  34           HH22     ARG  34   6.311  -7.268  -1.239
  268   2HH1  ARG  34           HH21     ARG  34   7.912  -7.353  -0.581
  269   1HH2  ARG  34           HH12     ARG  34   8.259  -3.833  -0.172
  270   2HH2  ARG  34           HH11     ARG  34   9.034  -5.368   0.033
  271    H    CYS  35           HN       CYS  35   1.250  -4.542  -1.094
  272    HA   CYS  35           HA       CYS  35  -0.626  -3.613   0.856
  273   1HB   CYS  35           HB2      CYS  35  -1.659  -3.547  -1.644
  274   2HB   CYS  35           HB3      CYS  35  -1.858  -5.296  -1.382
  275    H    TYR  36           HN       TYR  36  -1.409  -5.447   2.062
  276    HA   TYR  36           HA       TYR  36   0.340  -7.812   1.946
  277   1HB   TYR  36           HB2      TYR  36   0.342  -5.529   3.965
  278   2HB   TYR  36           HB3      TYR  36   0.711  -7.189   4.586
  279    HD1  TYR  36           HD2      TYR  36   2.380  -8.532   2.914
  280    HD2  TYR  36           HD1      TYR  36   2.247  -4.289   3.517
  281    HE1  TYR  36           HE2      TYR  36   4.797  -8.382   2.382
  282    HE2  TYR  36           HE1      TYR  36   4.655  -4.119   2.937
  283    HH   TYR  36           HH       TYR  36   6.532  -5.241   2.481
  284    H    SER  37           HN       SER  37  -2.026  -8.112   1.144
  285    HA   SER  37           HA       SER  37  -3.651  -9.478   1.273
  286   1HB   SER  37           HB2      SER  37  -2.425 -10.543   3.874
  287   2HB   SER  37           HB3      SER  37  -3.700 -11.365   2.895
  288    HG   SER  37           HG       SER  37  -1.607 -12.090   2.451
   
  No H/Q in entry =         288
  Start of MODEL   14
    1    HA   PCA   1           HA       PGL   1   4.374  -4.509  -5.268
    2   1HB   PCA   1           HB2      PGL   1   4.501  -5.633  -8.020
    3   2HB   PCA   1           HB3      PGL   1   5.465  -4.317  -7.269
    4   1HG   PCA   1           HG2      PGL   1   6.242  -7.139  -7.751
    5   2HG   PCA   1           HG3      PGL   1   7.276  -5.755  -7.176
    6    HN   PCA   1           HN       PGL   1   4.811  -6.613  -4.073
    7    H    PHE   2           HN       PHE   2   2.260  -4.412  -4.678
    8    HA   PHE   2           HA       PHE   2   0.332  -6.337  -5.769
    9   1HB   PHE   2           HB2      PHE   2   0.386  -4.873  -3.073
   10   2HB   PHE   2           HB3      PHE   2  -1.078  -5.719  -3.700
   11    HD1  PHE   2           HD2      PHE   2   2.420  -6.224  -2.491
   12    HD2  PHE   2           HD1      PHE   2  -1.241  -8.092  -3.746
   13    HE1  PHE   2           HE2      PHE   2   3.217  -8.386  -1.597
   14    HE2  PHE   2           HE1      PHE   2  -0.445 -10.254  -2.847
   15    HZ   PHE   2           HZ       PHE   2   1.785 -10.406  -1.770
   16    H    THR   3           HN       THR   3   1.315  -3.127  -5.276
   17    HA   THR   3           HA       THR   3  -0.769  -2.142  -7.101
   18    HB   THR   3           HB       THR   3  -1.353  -0.244  -6.017
   19    HG1  THR   3           HG1      THR   3   0.505  -0.321  -3.962
   20   1HG2  THR   3           HG21     THR   3  -2.152  -2.275  -4.664
   21   2HG2  THR   3           HG22     THR   3  -0.730  -2.060  -3.576
   22   3HG2  THR   3           HG23     THR   3  -1.979  -0.776  -3.671
   23    H    ASN   4           HN       ASN   4   0.207   0.277  -7.838
   24    HA   ASN   4           HA       ASN   4   3.077   0.220  -8.081
   25   1HB   ASN   4           HB2      ASN   4   2.962   0.534 -10.602
   26   2HB   ASN   4           HB3      ASN   4   2.595  -1.119 -10.043
   27   1HD2  ASN   4           HD22     ASN   4  -0.140   0.919 -12.298
   28   2HD2  ASN   4           HD21     ASN   4   1.424   1.560 -11.917
   29    H    VAL   5           HN       VAL   5   1.604   1.754  -6.425
   30    HA   VAL   5           HA       VAL   5   1.474   4.415  -7.681
   31    HB   VAL   5           HB       VAL   5   0.722   3.841  -4.787
   32   1HG1  VAL   5           HG12     VAL   5  -0.250   5.823  -6.966
   33   2HG1  VAL   5           HG13     VAL   5  -0.925   5.681  -5.300
   34   3HG1  VAL   5           HG11     VAL   5   0.760   6.241  -5.530
   35   1HG2  VAL   5           HG21     VAL   5  -0.943   3.224  -7.303
   36   2HG2  VAL   5           HG22     VAL   5  -0.461   2.103  -5.965
   37   3HG2  VAL   5           HG23     VAL   5  -1.622   3.433  -5.649
   38    H    SER   6           HN       SER   6   2.328   6.000  -5.578
   39    HA   SER   6           HA       SER   6   5.085   5.127  -4.984
   40   1HB   SER   6           HB2      SER   6   5.658   7.603  -4.853
   41   2HB   SER   6           HB3      SER   6   5.338   6.916  -6.472
   42    HG   SER   6           HG       SER   6   4.324   8.904  -6.145
   43    H    CYS   7           HN       CYS   7   5.697   5.033  -2.974
   44    HA   CYS   7           HA       CYS   7   4.061   6.343  -0.836
   45   1HB   CYS   7           HB2      CYS   7   3.106   4.283  -0.801
   46   2HB   CYS   7           HB3      CYS   7   4.598   3.396  -0.987
   47    H    THR   8           HN       THR   8   5.162   6.875   0.992
   48    HA   THR   8           HA       THR   8   8.098   6.728   1.012
   49    HB   THR   8           HB       THR   8   8.070   9.008   2.143
   50    HG1  THR   8           HG1      THR   8   6.317  10.307   1.570
   51   1HG2  THR   8           HG23     THR   8   8.850   8.592  -0.207
   52   2HG2  THR   8           HG21     THR   8   7.174   8.866  -0.815
   53   3HG2  THR   8           HG22     THR   8   8.074  10.206  -0.016
   54    H    THR   9           HN       THR   9   5.085   7.307   2.937
   55    HA   THR   9           HA       THR   9   6.332   6.008   5.279
   56    HB   THR   9           HB       THR   9   4.666   7.384   6.632
   57    HG1  THR   9           HG1      THR   9   4.007   9.285   5.620
   58   1HG2  THR   9           HG22     THR   9   7.111   7.863   6.483
   59   2HG2  THR   9           HG23     THR   9   6.826   8.895   5.028
   60   3HG2  THR   9           HG21     THR   9   6.122   9.365   6.621
   61    H    SER  10           HN       SER  10   5.152   4.532   6.435
   62    HA   SER  10           HA       SER  10   3.016   3.153   5.045
   63   1HB   SER  10           HB2      SER  10   3.445   1.353   6.784
   64   2HB   SER  10           HB3      SER  10   4.834   1.765   5.726
   65    HG   SER  10           HG       SER  10   4.431   2.745   8.346
   66    H    LYS  11           HN       LYS  11   1.588   4.977   5.376
   67    HA   LYS  11           HA       LYS  11  -0.309   4.705   7.389
   68   1HB   LYS  11           HB2      LYS  11   1.796   6.835   7.821
   69   2HB   LYS  11           HB3      LYS  11   0.119   7.427   8.003
   70   1HG   LYS  11           HG2      LYS  11   1.016   4.965   9.575
   71   2HG   LYS  11           HG3      LYS  11   1.428   6.632  10.077
   72   1HD   LYS  11           HD2      LYS  11  -0.521   6.000  11.293
   73   2HD   LYS  11           HD3      LYS  11  -0.970   7.273  10.114
   74   1HE   LYS  11           HE2      LYS  11  -2.749   5.553  10.284
   75   2HE   LYS  11           HE3      LYS  11  -2.024   5.494   8.632
   76   1HZ   LYS  11           HZ1      LYS  11  -0.671   3.632   9.372
   77   2HZ   LYS  11           HZ2      LYS  11  -1.392   3.691  10.910
   78   3HZ   LYS  11           HZ3      LYS  11  -2.333   3.319   9.546
   79    H    GLU  12           HN       GLU  12   1.361   6.762   4.943
   80    HA   GLU  12           HA       GLU  12  -0.712   8.294   4.118
   81   1HB   GLU  12           HB2      GLU  12   1.912   8.259   3.888
   82   2HB   GLU  12           HB3      GLU  12   1.641   7.547   2.293
   83   1HG   GLU  12           HG2      GLU  12   0.457  10.210   3.367
   84   2HG   GLU  12           HG3      GLU  12   1.964  10.076   2.393
   85   1HN   ABA  13           HN       ABA  13   0.347   5.141   2.765
   86    HA   ABA  13           HA       ABA  13  -1.497   5.323   0.485
   87   1HB   ABA  13           HB3      ABA  13   0.903   4.945   0.082
   88   2HB   ABA  13           HB2      ABA  13  -0.133   3.644  -0.534
   89   1HG   ABA  13           HG1      ABA  13   1.939   2.807   0.502
   90   2HG   ABA  13           HG2      ABA  13   1.521   3.578   2.082
   91   3HG   ABA  13           HG3      ABA  13   0.541   2.189   1.444
   92    H    TRP  14           HN       TRP  14  -2.434   4.745   3.271
   93    HA   TRP  14           HA       TRP  14  -3.277   1.982   3.197
   94   1HB   TRP  14           HB2      TRP  14  -3.579   4.242   5.257
   95   2HB   TRP  14           HB3      TRP  14  -4.347   2.631   5.470
   96    HD1  TRP  14           HD1      TRP  14  -0.607   3.042   4.212
   97    HE1  TRP  14           HE1      TRP  14   0.724   1.424   5.593
   98    HE3  TRP  14           HE3      TRP  14  -4.139   1.988   7.765
   99    HZ2  TRP  14           HZ2      TRP  14   0.391  -0.133   7.958
  100    HZ3  TRP  14           HZ3      TRP  14  -3.581   0.343   9.527
  101    HH2  TRP  14           HH2      TRP  14  -1.365  -0.765   9.555
  102    H    SER  15           HN       SER  15  -4.693   5.145   2.319
  103    HA   SER  15           HA       SER  15  -7.324   4.003   1.928
  104   1HB   SER  15           HB2      SER  15  -7.932   6.349   1.225
  105   2HB   SER  15           HB3      SER  15  -7.314   6.206   2.901
  106    HG   SER  15           HG       SER  15  -5.281   6.860   2.136
  107    H    VAL  16           HN       VAL  16  -4.564   3.453   0.417
  108    HA   VAL  16           HA       VAL  16  -5.552   3.613  -2.349
  109    HB   VAL  16           HB       VAL  16  -2.835   2.752  -1.232
  110   1HG1  VAL  16           HG13     VAL  16  -3.828   3.056  -4.148
  111   2HG1  VAL  16           HG11     VAL  16  -2.110   2.848  -3.631
  112   3HG1  VAL  16           HG12     VAL  16  -3.281   1.526  -3.349
  113   1HG2  VAL  16           HG21     VAL  16  -3.757   5.304  -2.709
  114   2HG2  VAL  16           HG22     VAL  16  -3.253   5.205  -0.982
  115   3HG2  VAL  16           HG23     VAL  16  -2.055   4.891  -2.284
  116    H    CYS  17           HN       CYS  17  -4.364   1.195   0.103
  117    HA   CYS  17           HA       CYS  17  -5.189  -1.029  -1.436
  118   1HB   CYS  17           HB2      CYS  17  -4.166  -0.516   1.375
  119   2HB   CYS  17           HB3      CYS  17  -4.908  -2.109   1.108
  120    H    GLN  18           HN       GLN  18  -7.227   1.052   0.505
  121    HA   GLN  18           HA       GLN  18  -9.187  -0.985   1.162
  122   1HB   GLN  18           HB2      GLN  18  -9.209   2.062   1.503
  123   2HB   GLN  18           HB3      GLN  18 -10.543   0.955   2.031
  124   1HG   GLN  18           HG2      GLN  18  -9.049  -0.206   3.592
  125   2HG   GLN  18           HG3      GLN  18  -7.658   0.793   3.039
  126   1HE2  GLN  18           HE22     GLN  18 -10.745   2.588   5.266
  127   2HE2  GLN  18           HE21     GLN  18 -11.083   1.233   4.241
  128    H    ARG  19           HN       ARG  19  -8.736   1.707  -1.116
  129    HA   ARG  19           HA       ARG  19 -11.322   1.438  -2.373
  130   1HB   ARG  19           HB2      ARG  19  -8.964   3.212  -3.122
  131   2HB   ARG  19           HB3      ARG  19 -10.634   3.273  -3.809
  132   1HG   ARG  19           HG2      ARG  19 -11.462   3.559  -1.371
  133   2HG   ARG  19           HG3      ARG  19  -9.757   3.917  -0.939
  134   1HD   ARG  19           HD2      ARG  19 -11.504   5.376  -3.031
  135   2HD   ARG  19           HD3      ARG  19 -11.074   6.005  -1.373
  136    HE   ARG  19           HE       ARG  19  -8.651   5.341  -2.823
  137   1HH1  ARG  19           HH11     ARG  19 -10.289   9.014  -3.571
  138   2HH1  ARG  19           HH12     ARG  19 -11.265   7.782  -2.840
  139   1HH2  ARG  19           HH22     ARG  19  -7.365   7.006  -3.817
  140   2HH2  ARG  19           HH21     ARG  19  -8.048   8.567  -4.132
  141    H    LEU  20           HN       LEU  20  -8.295  -0.135  -2.711
  142    HA   LEU  20           HA       LEU  20  -8.549  -0.934  -5.478
  143   1HB   LEU  20           HB2      LEU  20  -6.463  -0.764  -3.365
  144   2HB   LEU  20           HB3      LEU  20  -6.394  -2.331  -4.208
  145    HG   LEU  20           HG       LEU  20  -6.304  -1.327  -6.323
  146   1HD1  LEU  20           HD13     LEU  20  -7.456   0.887  -6.058
  147   2HD1  LEU  20           HD11     LEU  20  -6.121   1.464  -4.994
  148   3HD1  LEU  20           HD12     LEU  20  -5.806   1.113  -6.729
  149   1HD2  LEU  20           HD22     LEU  20  -4.233  -1.891  -5.151
  150   2HD2  LEU  20           HD23     LEU  20  -3.954  -0.456  -6.209
  151   3HD2  LEU  20           HD21     LEU  20  -4.149  -0.239  -4.427
  152    H    HIS  21           HN       HIS  21  -8.040  -2.597  -2.338
  153    HA   HIS  21           HA       HIS  21  -9.612  -4.911  -3.233
  154   1HB   HIS  21           HB2      HIS  21  -7.342  -4.630  -1.177
  155   2HB   HIS  21           HB3      HIS  21  -8.216  -6.162  -1.564
  156    HD1  HIS  21           HD1      HIS  21  -7.762  -7.094  -4.072
  157    HD2  HIS  21           HD2      HIS  21  -5.322  -3.872  -2.943
  158    HE1  HIS  21           HE1      HIS  21  -5.809  -6.957  -5.714
  159    H    ASN  22           HN       ASN  22  -8.827  -4.788   0.044
  160    HA   ASN  22           HA       ASN  22 -10.824  -3.217   1.179
  161   1HB   ASN  22           HB2      ASN  22 -12.389  -5.091   2.078
  162   2HB   ASN  22           HB3      ASN  22 -12.611  -4.550   0.399
  163   1HD2  ASN  22           HD22     ASN  22 -12.874  -7.952  -0.469
  164   2HD2  ASN  22           HD21     ASN  22 -13.671  -6.430  -0.253
  165    H    THR  23           HN       THR  23  -8.351  -3.118   1.808
  166    HA   THR  23           HA       THR  23  -8.039  -4.457   4.349
  167    HB   THR  23           HB       THR  23  -6.964  -6.176   3.264
  168    HG1  THR  23           HG1      THR  23  -4.901  -4.279   3.582
  169   1HG2  THR  23           HG21     THR  23  -5.784  -4.178   1.247
  170   2HG2  THR  23           HG22     THR  23  -5.387  -5.940   1.376
  171   3HG2  THR  23           HG23     THR  23  -7.055  -5.437   0.941
  172    H    SER  24           HN       SER  24  -6.541  -3.316   5.672
  173    HA   SER  24           HA       SER  24  -6.102  -0.514   4.856
  174   1HB   SER  24           HB2      SER  24  -6.704  -1.674   7.648
  175   2HB   SER  24           HB3      SER  24  -6.289   0.050   7.291
  176    HG   SER  24           HG       SER  24  -8.124   0.101   5.957
  177    H    ARG  25           HN       ARG  25  -4.794  -3.593   5.708
  178    HA   ARG  25           HA       ARG  25  -2.310  -2.587   6.790
  179   1HB   ARG  25           HB2      ARG  25  -1.723  -5.011   7.115
  180   2HB   ARG  25           HB3      ARG  25  -3.040  -4.351   8.118
  181   1HG   ARG  25           HG2      ARG  25  -3.658  -5.913   5.566
  182   2HG   ARG  25           HG3      ARG  25  -3.298  -6.736   7.107
  183   1HD   ARG  25           HD2      ARG  25  -5.216  -6.000   8.207
  184   2HD   ARG  25           HD3      ARG  25  -5.430  -4.563   7.128
  185    HE   ARG  25           HE       ARG  25  -5.859  -6.389   5.247
  186   1HH1  ARG  25           HH22     ARG  25  -7.095  -6.410   8.609
  187   2HH1  ARG  25           HH21     ARG  25  -8.585  -7.190   8.188
  188   1HH2  ARG  25           HH12     ARG  25  -7.803  -7.531   4.737
  189   2HH2  ARG  25           HH11     ARG  25  -8.990  -7.834   5.961
  190    H    GLY  26           HN       GLY  26  -0.862  -1.958   5.340
  191   1HA   GLY  26           HA1      GLY  26   0.035  -3.263   3.075
  192   2HA   GLY  26           HA2      GLY  26  -1.376  -2.220   2.596
  193    H    LYS  27           HN       LYS  27   1.946  -2.331   3.038
  194    HA   LYS  27           HA       LYS  27   2.279   0.434   3.977
  195   1HB   LYS  27           HB2      LYS  27   4.253  -1.926   4.190
  196   2HB   LYS  27           HB3      LYS  27   4.375  -0.313   4.980
  197   1HG   LYS  27           HG2      LYS  27   2.304  -0.934   6.345
  198   2HG   LYS  27           HG3      LYS  27   2.325  -2.539   5.530
  199   1HD   LYS  27           HD2      LYS  27   4.867  -2.594   6.370
  200   2HD   LYS  27           HD3      LYS  27   4.265  -1.418   7.588
  201   1HE   LYS  27           HE2      LYS  27   3.190  -4.279   7.030
  202   2HE   LYS  27           HE3      LYS  27   4.154  -3.755   8.469
  203   1HZ   LYS  27           HZ1      LYS  27   1.444  -2.781   7.727
  204   2HZ   LYS  27           HZ2      LYS  27   1.813  -3.923   8.930
  205   3HZ   LYS  27           HZ3      LYS  27   2.340  -2.316   9.095
  206    H    CYS  28           HN       CYS  28   5.256  -0.164   3.171
  207    HA   CYS  28           HA       CYS  28   5.147  -0.540   0.344
  208   1HB   CYS  28           HB2      CYS  28   6.224   1.745  -0.220
  209   2HB   CYS  28           HB3      CYS  28   4.503   1.676   0.185
  210    H    MET  29           HN       MET  29   7.381  -0.119  -0.643
  211    HA   MET  29           HA       MET  29   9.401  -1.355   1.013
  212   1HB   MET  29           HB2      MET  29   8.556  -2.206  -1.294
  213   2HB   MET  29           HB3      MET  29   9.532  -0.903  -2.003
  214   1HG   MET  29           HG2      MET  29  11.462  -1.941  -0.454
  215   2HG   MET  29           HG3      MET  29  10.348  -3.329  -0.291
  216   1HE   MET  29           HE1      MET  29   8.962  -3.571  -3.145
  217   2HE   MET  29           HE2      MET  29  10.093  -4.594  -4.091
  218   3HE   MET  29           HE3      MET  29   9.738  -5.007  -2.383
  219    H    ASN  30           HN       ASN  30  10.959   0.206  -1.434
  220    HA   ASN  30           HA       ASN  30  11.850   2.383   0.219
  221   1HB   ASN  30           HB2      ASN  30  13.526   2.798  -1.653
  222   2HB   ASN  30           HB3      ASN  30  13.614   1.246  -0.779
  223   1HD2  ASN  30           HD22     ASN  30  12.967   1.240  -4.831
  224   2HD2  ASN  30           HD21     ASN  30  13.107   2.716  -3.936
  225    H    LYS  31           HN       LYS  31   9.958   2.075  -2.757
  226    HA   LYS  31           HA       LYS  31   9.496   5.004  -2.783
  227   1HB   LYS  31           HB2      LYS  31  10.436   3.207  -5.066
  228   2HB   LYS  31           HB3      LYS  31   9.785   4.849  -5.348
  229   1HG   LYS  31           HG2      LYS  31  11.543   5.902  -4.044
  230   2HG   LYS  31           HG3      LYS  31  12.268   4.311  -3.655
  231   1HD   LYS  31           HD2      LYS  31  13.486   4.372  -5.531
  232   2HD   LYS  31           HD3      LYS  31  11.974   4.283  -6.483
  233   1HE   LYS  31           HE2      LYS  31  13.317   6.214  -7.253
  234   2HE   LYS  31           HE3      LYS  31  11.827   6.835  -6.431
  235   1HZ   LYS  31           HZ1      LYS  31  14.538   6.598  -5.225
  236   2HZ   LYS  31           HZ2      LYS  31  13.797   8.023  -5.777
  237   3HZ   LYS  31           HZ3      LYS  31  13.145   7.186  -4.450
  238    H    LYS  32           HN       LYS  32   7.845   1.862  -3.002
  239    HA   LYS  32           HA       LYS  32   5.685   3.154  -4.529
  240   1HB   LYS  32           HB2      LYS  32   5.421   1.419  -6.001
  241   2HB   LYS  32           HB3      LYS  32   7.140   1.902  -6.098
  242   1HG   LYS  32           HG2      LYS  32   7.678  -0.041  -4.469
  243   2HG   LYS  32           HG3      LYS  32   5.994  -0.625  -4.762
  244   1HD   LYS  32           HD2      LYS  32   6.445  -0.722  -7.194
  245   2HD   LYS  32           HD3      LYS  32   8.128  -0.151  -6.900
  246   1HE   LYS  32           HE2      LYS  32   8.567  -2.209  -5.471
  247   2HE   LYS  32           HE3      LYS  32   6.888  -2.791  -5.812
  248   1HZ   LYS  32           HZ1      LYS  32   7.454  -2.860  -8.149
  249   2HZ   LYS  32           HZ2      LYS  32   9.031  -2.320  -7.820
  250   3HZ   LYS  32           HZ3      LYS  32   8.505  -3.822  -7.226
  251   1HN   ABA  33           HN       ABA  33   3.547   2.208  -4.144
  252    HA   ABA  33           HA       ABA  33   3.236   1.286  -1.468
  253   1HB   ABA  33           HB3      ABA  33   1.340   1.979  -3.735
  254   2HB   ABA  33           HB2      ABA  33   1.815   2.979  -2.343
  255   1HG   ABA  33           HG1      ABA  33   0.781   1.297  -0.784
  256   2HG   ABA  33           HG2      ABA  33  -0.402   2.121  -1.882
  257   3HG   ABA  33           HG3      ABA  33   0.088   0.417  -2.198
  258    H    ARG  34           HN       ARG  34   2.530  -0.740  -0.772
  259    HA   ARG  34           HA       ARG  34   1.984  -2.861  -2.716
  260   1HB   ARG  34           HB2      ARG  34   3.939  -3.110  -0.339
  261   2HB   ARG  34           HB3      ARG  34   3.286  -4.484  -1.305
  262   1HG   ARG  34           HG2      ARG  34   4.226  -3.320  -3.385
  263   2HG   ARG  34           HG3      ARG  34   5.180  -2.276  -2.278
  264   1HD   ARG  34           HD2      ARG  34   5.220  -5.378  -2.318
  265   2HD   ARG  34           HD3      ARG  34   6.422  -4.316  -3.177
  266    HE   ARG  34           HE       ARG  34   6.573  -3.356  -0.598
  267   1HH1  ARG  34           HH12     ARG  34   6.778  -6.659  -1.955
  268   2HH1  ARG  34           HH11     ARG  34   8.035  -7.167  -0.875
  269   1HH2  ARG  34           HH22     ARG  34   8.269  -4.059   0.834
  270   2HH2  ARG  34           HH21     ARG  34   8.890  -5.673   0.727
  271    H    CYS  35           HN       CYS  35   1.323  -4.838  -0.953
  272    HA   CYS  35           HA       CYS  35  -0.549  -3.748   0.949
  273   1HB   CYS  35           HB2      CYS  35  -1.466  -4.112  -1.633
  274   2HB   CYS  35           HB3      CYS  35  -1.809  -5.721  -0.973
  275    H    TYR  36           HN       TYR  36  -1.247  -5.370   2.367
  276    HA   TYR  36           HA       TYR  36   0.502  -7.733   2.600
  277   1HB   TYR  36           HB2      TYR  36   0.505  -5.127   4.215
  278   2HB   TYR  36           HB3      TYR  36   0.928  -6.653   5.089
  279    HD1  TYR  36           HD2      TYR  36   2.636  -8.199   3.610
  280    HD2  TYR  36           HD1      TYR  36   2.328  -3.923   3.545
  281    HE1  TYR  36           HE2      TYR  36   5.040  -8.030   3.031
  282    HE2  TYR  36           HE1      TYR  36   4.716  -3.739   2.940
  283    HH   TYR  36           HH       TYR  36   6.778  -6.675   2.671
  284    H    SER  37           HN       SER  37  -1.810  -8.397   2.006
  285    HA   SER  37           HA       SER  37  -3.866  -7.999   3.930
  286   1HB   SER  37           HB2      SER  37  -5.186  -9.595   2.535
  287   2HB   SER  37           HB3      SER  37  -4.464  -8.245   1.586
  288    HG   SER  37           HG       SER  37  -4.214 -10.272   0.608
   
  No H/Q in entry =         288
  Start of MODEL   15
    1    HA   PCA   1           HA       PGL   1  -3.833  -7.351  -4.856
    2   1HB   PCA   1           HB2      PGL   1  -3.367  -6.641  -2.028
    3   2HB   PCA   1           HB3      PGL   1  -4.904  -7.045  -2.858
    4   1HG   PCA   1           HG2      PGL   1  -3.231  -8.778  -1.090
    5   2HG   PCA   1           HG3      PGL   1  -4.947  -9.016  -1.652
    6    HN   PCA   1           HN       PGL   1  -2.593  -9.454  -4.945
    7    H    PHE   2           HN       PHE   2  -2.499  -5.988  -5.941
    8    HA   PHE   2           HA       PHE   2   0.082  -5.188  -4.797
    9   1HB   PHE   2           HB2      PHE   2  -0.513  -6.255  -7.642
   10   2HB   PHE   2           HB3      PHE   2   0.915  -5.210  -7.289
   11    HD1  PHE   2           HD1      PHE   2   2.488  -5.899  -5.401
   12    HD2  PHE   2           HD2      PHE   2  -0.294  -8.602  -7.259
   13    HE1  PHE   2           HE1      PHE   2   3.845  -7.817  -4.643
   14    HE2  PHE   2           HE2      PHE   2   1.061 -10.523  -6.484
   15    HZ   PHE   2           HZ       PHE   2   3.136 -10.135  -5.179
   16    H    THR   3           HN       THR   3   0.801  -3.170  -5.527
   17    HA   THR   3           HA       THR   3  -1.027  -1.374  -6.900
   18    HB   THR   3           HB       THR   3  -0.204   0.349  -5.009
   19    HG1  THR   3           HG1      THR   3   0.500  -0.493  -3.336
   20   1HG2  THR   3           HG21     THR   3  -2.569  -0.161  -5.546
   21   2HG2  THR   3           HG22     THR   3  -2.500  -1.645  -4.515
   22   3HG2  THR   3           HG23     THR   3  -2.309  -0.018  -3.766
   23    H    ASN   4           HN       ASN   4   0.211   0.385  -7.851
   24    HA   ASN   4           HA       ASN   4   3.113   0.193  -7.803
   25   1HB   ASN   4           HB2      ASN   4   3.156   0.353 -10.354
   26   2HB   ASN   4           HB3      ASN   4   2.732  -1.239  -9.674
   27   1HD2  ASN   4           HD22     ASN   4   0.075   0.695 -12.134
   28   2HD2  ASN   4           HD21     ASN   4   1.611   1.381 -11.719
   29    H    VAL   5           HN       VAL   5   1.977   1.887  -6.300
   30    HA   VAL   5           HA       VAL   5   1.749   4.484  -7.671
   31    HB   VAL   5           HB       VAL   5   1.153   3.928  -4.728
   32   1HG1  VAL   5           HG11     VAL   5   0.063   5.919  -6.854
   33   2HG1  VAL   5           HG12     VAL   5  -0.551   5.768  -5.170
   34   3HG1  VAL   5           HG13     VAL   5   1.119   6.356  -5.455
   35   1HG2  VAL   5           HG23     VAL   5  -0.673   3.343  -7.129
   36   2HG2  VAL   5           HG21     VAL   5  -0.122   2.212  -5.822
   37   3HG2  VAL   5           HG22     VAL   5  -1.233   3.562  -5.431
   38    H    SER   6           HN       SER   6   2.712   6.085  -5.591
   39    HA   SER   6           HA       SER   6   5.485   5.196  -5.107
   40   1HB   SER   6           HB2      SER   6   6.152   7.659  -5.196
   41   2HB   SER   6           HB3      SER   6   5.763   6.847  -6.736
   42    HG   SER   6           HG       SER   6   4.809   8.900  -6.547
   43    H    CYS   7           HN       CYS   7   6.059   5.080  -3.129
   44    HA   CYS   7           HA       CYS   7   4.568   6.583  -1.005
   45   1HB   CYS   7           HB2      CYS   7   3.349   4.666  -1.094
   46   2HB   CYS   7           HB3      CYS   7   4.748   3.596  -1.104
   47    H    THR   8           HN       THR   8   5.754   6.936   0.855
   48    HA   THR   8           HA       THR   8   8.593   6.147   0.955
   49    HB   THR   8           HB       THR   8   9.082   8.354   2.105
   50    HG1  THR   8           HG1      THR   8   6.840   8.898   2.368
   51   1HG2  THR   8           HG23     THR   8   9.777   7.765  -0.230
   52   2HG2  THR   8           HG21     THR   8   8.241   8.462  -0.868
   53   3HG2  THR   8           HG22     THR   8   9.433   9.521  -0.028
   54    H    THR   9           HN       THR   9   5.667   7.214   2.781
   55    HA   THR   9           HA       THR   9   6.658   5.837   5.205
   56    HB   THR   9           HB       THR   9   4.964   7.304   6.422
   57    HG1  THR   9           HG1      THR   9   4.481   9.245   5.330
   58   1HG2  THR   9           HG22     THR   9   7.419   7.694   6.417
   59   2HG2  THR   9           HG23     THR   9   7.255   8.726   4.939
   60   3HG2  THR   9           HG21     THR   9   6.466   9.227   6.488
   61    H    SER  10           HN       SER  10   5.573   4.036   5.786
   62    HA   SER  10           HA       SER  10   3.711   2.698   4.573
   63   1HB   SER  10           HB2      SER  10   4.961   1.750   6.359
   64   2HB   SER  10           HB3      SER  10   4.144   2.801   7.578
   65    HG   SER  10           HG       SER  10   2.243   1.612   7.113
   66    H    LYS  11           HN       LYS  11   2.572   4.869   7.046
   67    HA   LYS  11           HA       LYS  11  -0.106   4.419   7.095
   68   1HB   LYS  11           HB2      LYS  11   1.201   5.652   8.787
   69   2HB   LYS  11           HB3      LYS  11   1.402   7.031   7.668
   70   1HG   LYS  11           HG2      LYS  11  -1.070   7.444   7.732
   71   2HG   LYS  11           HG3      LYS  11  -1.290   6.005   8.792
   72   1HD   LYS  11           HD2      LYS  11   0.029   7.086  10.578
   73   2HD   LYS  11           HD3      LYS  11   0.437   8.465   9.499
   74   1HE   LYS  11           HE2      LYS  11  -2.428   7.748  10.450
   75   2HE   LYS  11           HE3      LYS  11  -1.378   9.049  11.143
   76   1HZ   LYS  11           HZ3      LYS  11  -1.367  10.118   8.995
   77   2HZ   LYS  11           HZ1      LYS  11  -2.352   8.903   8.337
   78   3HZ   LYS  11           HZ2      LYS  11  -2.952   9.907   9.569
   79    H    GLU  12           HN       GLU  12   1.637   6.606   4.829
   80    HA   GLU  12           HA       GLU  12  -0.110   8.244   3.796
   81   1HB   GLU  12           HB2      GLU  12   2.390   7.732   3.434
   82   2HB   GLU  12           HB3      GLU  12   1.921   6.612   2.140
   83   1HG   GLU  12           HG2      GLU  12   0.731   8.647   1.017
   84   2HG   GLU  12           HG3      GLU  12   1.462   9.648   2.336
   85   1HN   ABA  13           HN       ABA  13   0.142   4.836   2.853
   86    HA   ABA  13           HA       ABA  13  -1.744   5.142   0.589
   87   1HB   ABA  13           HB3      ABA  13   0.480   4.961  -0.189
   88   2HB   ABA  13           HB2      ABA  13  -0.343   3.422  -0.503
   89   1HG   ABA  13           HG1      ABA  13   0.905   2.409   1.489
   90   2HG   ABA  13           HG2      ABA  13   1.997   3.175   0.257
   91   3HG   ABA  13           HG3      ABA  13   1.648   4.033   1.791
   92    H    TRP  14           HN       TRP  14  -2.534   4.482   3.361
   93    HA   TRP  14           HA       TRP  14  -3.355   1.698   3.234
   94   1HB   TRP  14           HB2      TRP  14  -3.633   3.877   5.370
   95   2HB   TRP  14           HB3      TRP  14  -4.499   2.309   5.511
   96    HD1  TRP  14           HD1      TRP  14  -0.859   2.251   4.160
   97    HE1  TRP  14           HE1      TRP  14   0.462   0.785   5.725
   98    HE3  TRP  14           HE3      TRP  14  -4.331   1.804   7.886
   99    HZ2  TRP  14           HZ2      TRP  14   0.075  -0.547   8.209
  100    HZ3  TRP  14           HZ3      TRP  14  -3.840   0.283   9.774
  101    HH2  TRP  14           HH2      TRP  14  -1.679  -0.924   9.892
  102    H    SER  15           HN       SER  15  -4.792   4.811   2.366
  103    HA   SER  15           HA       SER  15  -7.467   3.721   2.197
  104   1HB   SER  15           HB2      SER  15  -8.092   6.047   1.467
  105   2HB   SER  15           HB3      SER  15  -7.354   5.939   3.097
  106    HG   SER  15           HG       SER  15  -5.954   6.633   0.733
  107    H    VAL  16           HN       VAL  16  -4.699   3.419   0.448
  108    HA   VAL  16           HA       VAL  16  -5.890   3.511  -2.215
  109    HB   VAL  16           HB       VAL  16  -3.019   2.874  -1.335
  110   1HG1  VAL  16           HG12     VAL  16  -4.268   3.484  -4.109
  111   2HG1  VAL  16           HG13     VAL  16  -2.504   3.397  -3.750
  112   3HG1  VAL  16           HG11     VAL  16  -3.511   1.923  -3.608
  113   1HG2  VAL  16           HG21     VAL  16  -4.333   5.477  -2.361
  114   2HG2  VAL  16           HG22     VAL  16  -3.665   5.202  -0.706
  115   3HG2  VAL  16           HG23     VAL  16  -2.564   5.218  -2.121
  116    H    CYS  17           HN       CYS  17  -4.732   1.175   0.283
  117    HA   CYS  17           HA       CYS  17  -5.162  -1.160  -1.344
  118   1HB   CYS  17           HB2      CYS  17  -4.232  -0.502   1.477
  119   2HB   CYS  17           HB3      CYS  17  -4.817  -2.161   1.203
  120    H    GLN  18           HN       GLN  18  -7.235   0.842   0.666
  121    HA   GLN  18           HA       GLN  18  -9.021  -1.249   1.457
  122   1HB   GLN  18           HB2      GLN  18  -8.271   0.553   2.970
  123   2HB   GLN  18           HB3      GLN  18  -8.966   1.799   1.887
  124   1HG   GLN  18           HG2      GLN  18 -11.252   0.943   2.313
  125   2HG   GLN  18           HG3      GLN  18 -10.578  -0.456   3.241
  126   1HE2  GLN  18           HE22     GLN  18 -11.714   1.992   5.802
  127   2HE2  GLN  18           HE21     GLN  18 -12.385   0.882   4.657
  128    H    ARG  19           HN       ARG  19  -8.867   1.496  -0.831
  129    HA   ARG  19           HA       ARG  19 -11.617   1.209  -1.670
  130   1HB   ARG  19           HB2      ARG  19  -9.438   3.153  -2.507
  131   2HB   ARG  19           HB3      ARG  19 -11.151   3.190  -3.058
  132   1HG   ARG  19           HG2      ARG  19 -11.195   2.995  -0.153
  133   2HG   ARG  19           HG3      ARG  19  -9.981   4.230  -0.604
  134   1HD   ARG  19           HD2      ARG  19 -12.070   5.341  -0.309
  135   2HD   ARG  19           HD3      ARG  19 -11.700   5.325  -2.100
  136    HE   ARG  19           HE       ARG  19 -13.224   3.069  -1.890
  137   1HH1  ARG  19           HH22     ARG  19 -13.818   6.318  -0.503
  138   2HH1  ARG  19           HH21     ARG  19 -15.543   6.182  -0.602
  139   1HH2  ARG  19           HH12     ARG  19 -15.545   2.926  -2.015
  140   2HH2  ARG  19           HH11     ARG  19 -16.529   4.243  -1.467
  141    H    LEU  20           HN       LEU  20  -8.496  -0.079  -2.671
  142    HA   LEU  20           HA       LEU  20  -9.270  -0.581  -5.395
  143   1HB   LEU  20           HB2      LEU  20  -7.019   0.245  -4.879
  144   2HB   LEU  20           HB3      LEU  20  -6.726  -1.154  -3.802
  145    HG   LEU  20           HG       LEU  20  -6.877  -2.691  -5.712
  146   1HD1  LEU  20           HD11     LEU  20  -7.223  -0.171  -7.479
  147   2HD1  LEU  20           HD12     LEU  20  -6.865  -1.829  -8.091
  148   3HD1  LEU  20           HD13     LEU  20  -8.427  -1.497  -7.263
  149   1HD2  LEU  20           HD21     LEU  20  -4.704  -1.742  -5.030
  150   2HD2  LEU  20           HD22     LEU  20  -4.738  -2.082  -6.800
  151   3HD2  LEU  20           HD23     LEU  20  -4.900  -0.385  -6.204
  152    H    HIS  21           HN       HIS  21  -8.546  -2.416  -2.307
  153    HA   HIS  21           HA       HIS  21  -9.659  -4.846  -3.534
  154   1HB   HIS  21           HB2      HIS  21  -7.394  -4.516  -1.480
  155   2HB   HIS  21           HB3      HIS  21  -8.099  -6.088  -2.015
  156    HD1  HIS  21           HD1      HIS  21  -7.757  -6.605  -4.684
  157    HD2  HIS  21           HD2      HIS  21  -5.387  -3.534  -3.089
  158    HE1  HIS  21           HE1      HIS  21  -5.797  -6.213  -6.273
  159    H    ASN  22           HN       ASN  22  -8.846  -5.054  -0.276
  160    HA   ASN  22           HA       ASN  22 -11.206  -4.191   0.952
  161   1HB   ASN  22           HB2      ASN  22 -12.402  -6.364   1.355
  162   2HB   ASN  22           HB3      ASN  22 -12.496  -5.830  -0.336
  163   1HD2  ASN  22           HD22     ASN  22 -10.500  -8.559  -1.682
  164   2HD2  ASN  22           HD21     ASN  22 -10.859  -6.883  -1.922
  165    H    THR  23           HN       THR  23  -8.941  -3.595   1.881
  166    HA   THR  23           HA       THR  23  -8.748  -5.165   4.283
  167    HB   THR  23           HB       THR  23  -7.029  -6.183   2.749
  168    HG1  THR  23           HG1      THR  23  -6.860  -6.265   4.952
  169   1HG2  THR  23           HG23     THR  23  -6.308  -4.073   1.545
  170   2HG2  THR  23           HG21     THR  23  -5.507  -3.520   3.072
  171   3HG2  THR  23           HG22     THR  23  -4.945  -5.013   2.256
  172    H    SER  24           HN       SER  24  -6.621  -3.463   5.370
  173    HA   SER  24           HA       SER  24  -7.265  -0.767   4.569
  174   1HB   SER  24           HB2      SER  24  -7.765   0.097   6.869
  175   2HB   SER  24           HB3      SER  24  -9.047  -0.962   6.200
  176    HG   SER  24           HG       SER  24  -7.101  -1.612   8.137
  177    H    ARG  25           HN       ARG  25  -5.030  -3.085   5.047
  178    HA   ARG  25           HA       ARG  25  -3.101  -1.405   6.494
  179   1HB   ARG  25           HB2      ARG  25  -3.141  -4.468   6.207
  180   2HB   ARG  25           HB3      ARG  25  -1.869  -3.491   7.004
  181   1HG   ARG  25           HG2      ARG  25  -3.027  -4.354   8.768
  182   2HG   ARG  25           HG3      ARG  25  -3.550  -2.644   8.669
  183   1HD   ARG  25           HD2      ARG  25  -5.434  -4.270   9.245
  184   2HD   ARG  25           HD3      ARG  25  -5.746  -3.328   7.752
  185    HE   ARG  25           HE       ARG  25  -5.447  -5.231   6.396
  186   1HH1  ARG  25           HH12     ARG  25  -4.599  -6.072   9.774
  187   2HH1  ARG  25           HH11     ARG  25  -4.564  -7.778   9.476
  188   1HH2  ARG  25           HH22     ARG  25  -5.414  -7.521   6.032
  189   2HH2  ARG  25           HH21     ARG  25  -5.032  -8.609   7.325
  190    H    GLY  26           HN       GLY  26  -0.850  -2.282   5.820
  191   1HA   GLY  26           HA1      GLY  26   0.007  -3.190   3.503
  192   2HA   GLY  26           HA2      GLY  26  -0.472  -1.482   3.088
  193    H    LYS  27           HN       LYS  27   2.115  -1.842   2.783
  194    HA   LYS  27           HA       LYS  27   3.055   0.097   4.664
  195   1HB   LYS  27           HB2      LYS  27   4.823  -2.319   3.845
  196   2HB   LYS  27           HB3      LYS  27   5.360  -0.885   4.783
  197   1HG   LYS  27           HG2      LYS  27   3.797  -1.561   6.633
  198   2HG   LYS  27           HG3      LYS  27   3.444  -3.082   5.736
  199   1HD   LYS  27           HD2      LYS  27   6.285  -2.162   6.449
  200   2HD   LYS  27           HD3      LYS  27   5.283  -3.129   7.594
  201   1HE   LYS  27           HE2      LYS  27   6.110  -4.050   4.757
  202   2HE   LYS  27           HE3      LYS  27   6.954  -4.506   6.287
  203   1HZ   LYS  27           HZ3      LYS  27   4.111  -5.078   5.643
  204   2HZ   LYS  27           HZ1      LYS  27   5.404  -6.175   5.574
  205   3HZ   LYS  27           HZ2      LYS  27   4.928  -5.516   7.066
  206    H    CYS  28           HN       CYS  28   5.551   0.202   3.303
  207    HA   CYS  28           HA       CYS  28   5.264  -0.316   0.530
  208   1HB   CYS  28           HB2      CYS  28   5.943   2.042  -0.202
  209   2HB   CYS  28           HB3      CYS  28   4.274   1.860   0.392
  210    H    MET  29           HN       MET  29   7.475   0.367  -0.509
  211    HA   MET  29           HA       MET  29   9.476  -0.833   1.233
  212   1HB   MET  29           HB2      MET  29   8.543  -1.809  -0.993
  213   2HB   MET  29           HB3      MET  29   9.654  -0.665  -1.795
  214   1HG   MET  29           HG2      MET  29  11.494  -1.724  -0.235
  215   2HG   MET  29           HG3      MET  29  10.219  -2.890   0.272
  216   1HE   MET  29           HE1      MET  29  13.091  -3.592  -0.808
  217   2HE   MET  29           HE2      MET  29  11.860  -4.791  -0.276
  218   3HE   MET  29           HE3      MET  29  12.716  -5.014  -1.841
  219    H    ASN  30           HN       ASN  30  11.110   0.483  -1.302
  220    HA   ASN  30           HA       ASN  30  12.015   2.781   0.189
  221   1HB   ASN  30           HB2      ASN  30  13.755   3.064  -1.516
  222   2HB   ASN  30           HB3      ASN  30  13.732   1.433  -0.795
  223   1HD2  ASN  30           HD22     ASN  30  14.326   1.229  -4.535
  224   2HD2  ASN  30           HD21     ASN  30  15.068   2.103  -3.241
  225    H    LYS  31           HN       LYS  31  10.156   2.239  -2.783
  226    HA   LYS  31           HA       LYS  31   9.631   5.130  -3.044
  227   1HB   LYS  31           HB2      LYS  31  10.872   3.227  -5.083
  228   2HB   LYS  31           HB3      LYS  31  10.135   4.777  -5.580
  229   1HG   LYS  31           HG2      LYS  31  11.684   6.097  -4.284
  230   2HG   LYS  31           HG3      LYS  31  12.488   4.625  -3.626
  231   1HD   LYS  31           HD2      LYS  31  13.281   3.946  -5.791
  232   2HD   LYS  31           HD3      LYS  31  12.258   5.163  -6.631
  233   1HE   LYS  31           HE2      LYS  31  14.646   5.901  -6.573
  234   2HE   LYS  31           HE3      LYS  31  13.593   7.040  -5.640
  235   1HZ   LYS  31           HZ1      LYS  31  14.285   5.897  -3.616
  236   2HZ   LYS  31           HZ2      LYS  31  15.302   4.878  -4.522
  237   3HZ   LYS  31           HZ3      LYS  31  15.600   6.551  -4.467
  238    H    LYS  32           HN       LYS  32   8.008   2.030  -2.909
  239    HA   LYS  32           HA       LYS  32   5.904   3.165  -4.577
  240   1HB   LYS  32           HB2      LYS  32   5.595   1.403  -5.984
  241   2HB   LYS  32           HB3      LYS  32   7.322   1.831  -6.138
  242   1HG   LYS  32           HG2      LYS  32   7.902  -0.100  -4.562
  243   2HG   LYS  32           HG3      LYS  32   6.165  -0.586  -4.609
  244   1HD   LYS  32           HD2      LYS  32   6.290  -0.742  -7.097
  245   2HD   LYS  32           HD3      LYS  32   8.042  -0.359  -7.010
  246   1HE   LYS  32           HE2      LYS  32   7.732  -2.837  -7.225
  247   2HE   LYS  32           HE3      LYS  32   8.404  -2.455  -5.589
  248   1HZ   LYS  32           HZ3      LYS  32   5.545  -2.966  -6.236
  249   2HZ   LYS  32           HZ1      LYS  32   6.622  -4.048  -5.492
  250   3HZ   LYS  32           HZ2      LYS  32   6.176  -2.614  -4.699
  251   1HN   ABA  33           HN       ABA  33   3.834   2.192  -4.230
  252    HA   ABA  33           HA       ABA  33   3.325   1.519  -1.521
  253   1HB   ABA  33           HB3      ABA  33   1.536   1.738  -3.988
  254   2HB   ABA  33           HB2      ABA  33   1.952   3.026  -2.803
  255   1HG   ABA  33           HG1      ABA  33   0.935   1.667  -0.966
  256   2HG   ABA  33           HG2      ABA  33  -0.244   2.252  -2.207
  257   3HG   ABA  33           HG3      ABA  33   0.267   0.526  -2.160
  258    H    ARG  34           HN       ARG  34   2.708  -0.497  -0.683
  259    HA   ARG  34           HA       ARG  34   2.263  -2.731  -2.525
  260   1HB   ARG  34           HB2      ARG  34   4.683  -2.716  -1.335
  261   2HB   ARG  34           HB3      ARG  34   3.757  -3.373   0.043
  262   1HG   ARG  34           HG2      ARG  34   2.790  -5.101  -1.700
  263   2HG   ARG  34           HG3      ARG  34   4.012  -4.450  -2.844
  264   1HD   ARG  34           HD2      ARG  34   5.861  -5.202  -1.249
  265   2HD   ARG  34           HD3      ARG  34   4.575  -5.811  -0.107
  266    HE   ARG  34           HE       ARG  34   4.397  -6.802  -2.920
  267   1HH1  ARG  34           HH22     ARG  34   5.717  -7.489   0.340
  268   2HH1  ARG  34           HH21     ARG  34   5.877  -9.190   0.043
  269   1HH2  ARG  34           HH12     ARG  34   4.620  -9.066  -3.276
  270   2HH2  ARG  34           HH11     ARG  34   5.248 -10.098  -2.032
  271    H    CYS  35           HN       CYS  35   1.402  -4.617  -0.828
  272    HA   CYS  35           HA       CYS  35  -0.658  -3.479   0.822
  273   1HB   CYS  35           HB2      CYS  35  -1.302  -3.667  -1.809
  274   2HB   CYS  35           HB3      CYS  35  -1.608  -5.363  -1.405
  275    H    TYR  36           HN       TYR  36  -1.368  -4.970   2.230
  276    HA   TYR  36           HA       TYR  36  -0.111  -7.625   2.378
  277   1HB   TYR  36           HB2      TYR  36   0.338  -5.260   4.291
  278   2HB   TYR  36           HB3      TYR  36   0.585  -6.973   4.848
  279    HD1  TYR  36           HD2      TYR  36   2.175  -8.409   3.269
  280    HD2  TYR  36           HD1      TYR  36   2.166  -4.135   3.532
  281    HE1  TYR  36           HE2      TYR  36   4.540  -8.353   2.549
  282    HE2  TYR  36           HE1      TYR  36   4.527  -4.057   2.856
  283    HH   TYR  36           HH       TYR  36   6.341  -5.252   2.276
  284    H    SER  37           HN       SER  37  -2.333  -8.150   1.867
  285    HA   SER  37           HA       SER  37  -4.338  -7.664   3.933
  286   1HB   SER  37           HB2      SER  37  -4.974  -7.388   1.519
  287   2HB   SER  37           HB3      SER  37  -4.559  -9.115   1.226
  288    HG   SER  37           HG       SER  37  -6.135  -9.642   2.792
   
  No H/Q in entry =         288
  Start of MODEL   16
    1    HA   PCA   1           HA       PGL   1   3.738  -5.827  -4.008
    2   1HB   PCA   1           HB2      PGL   1   4.091  -5.507  -7.045
    3   2HB   PCA   1           HB3      PGL   1   4.378  -4.278  -5.749
    4   1HG   PCA   1           HG2      PGL   1   6.422  -5.819  -6.889
    5   2HG   PCA   1           HG3      PGL   1   6.462  -5.337  -5.129
    6    HN   PCA   1           HN       PGL   1   4.004  -8.308  -4.645
    7    H    PHE   2           HN       PHE   2   1.666  -4.678  -4.466
    8    HA   PHE   2           HA       PHE   2  -0.313  -6.248  -5.912
    9   1HB   PHE   2           HB2      PHE   2  -0.193  -5.791  -2.914
   10   2HB   PHE   2           HB3      PHE   2  -1.812  -5.574  -3.653
   11    HD1  PHE   2           HD1      PHE   2  -2.426  -7.419  -5.499
   12    HD2  PHE   2           HD2      PHE   2   0.150  -7.990  -2.105
   13    HE1  PHE   2           HE1      PHE   2  -2.950  -9.832  -5.507
   14    HE2  PHE   2           HE2      PHE   2  -0.396 -10.400  -2.099
   15    HZ   PHE   2           HZ       PHE   2  -1.944 -11.328  -3.804
   16    H    THR   3           HN       THR   3   1.065  -3.292  -5.226
   17    HA   THR   3           HA       THR   3  -0.933  -2.095  -6.981
   18    HB   THR   3           HB       THR   3  -1.285  -0.063  -5.976
   19    HG1  THR   3           HG1      THR   3   0.204  -0.439  -3.669
   20   1HG2  THR   3           HG21     THR   3  -2.680  -1.819  -4.879
   21   2HG2  THR   3           HG22     THR   3  -1.401  -2.065  -3.623
   22   3HG2  THR   3           HG23     THR   3  -2.263  -0.505  -3.716
   23    H    ASN   4           HN       ASN   4   0.210   0.240  -7.660
   24    HA   ASN   4           HA       ASN   4   3.071   0.057  -7.811
   25   1HB   ASN   4           HB2      ASN   4   2.994   0.297 -10.395
   26   2HB   ASN   4           HB3      ASN   4   2.721  -1.329  -9.720
   27   1HD2  ASN   4           HD22     ASN   4  -0.038  -1.709 -11.857
   28   2HD2  ASN   4           HD21     ASN   4   1.512  -2.266 -11.319
   29    H    VAL   5           HN       VAL   5   1.587   1.746  -6.302
   30    HA   VAL   5           HA       VAL   5   1.502   4.303  -7.752
   31    HB   VAL   5           HB       VAL   5   0.805   4.011  -4.808
   32   1HG1  VAL   5           HG11     VAL   5  -0.261   5.705  -7.179
   33   2HG1  VAL   5           HG12     VAL   5  -0.875   5.762  -5.485
   34   3HG1  VAL   5           HG13     VAL   5   0.791   6.312  -5.847
   35   1HG2  VAL   5           HG21     VAL   5  -0.890   3.058  -7.190
   36   2HG2  VAL   5           HG22     VAL   5  -0.347   2.127  -5.728
   37   3HG2  VAL   5           HG23     VAL   5  -1.538   3.463  -5.558
   38    H    SER   6           HN       SER   6   2.391   6.081  -5.840
   39    HA   SER   6           HA       SER   6   5.171   5.282  -5.243
   40   1HB   SER   6           HB2      SER   6   5.688   7.782  -5.292
   41   2HB   SER   6           HB3      SER   6   5.351   6.972  -6.846
   42    HG   SER   6           HG       SER   6   3.472   8.464  -5.333
   43    H    CYS   7           HN       CYS   7   5.797   5.255  -3.255
   44    HA   CYS   7           HA       CYS   7   4.185   6.625  -1.134
   45   1HB   CYS   7           HB2      CYS   7   3.281   4.518  -1.166
   46   2HB   CYS   7           HB3      CYS   7   4.834   3.696  -1.129
   47    H    THR   8           HN       THR   8   5.321   7.087   0.761
   48    HA   THR   8           HA       THR   8   8.250   6.866   0.775
   49    HB   THR   8           HB       THR   8   8.305   9.101   1.999
   50    HG1  THR   8           HG1      THR   8   6.614  10.488   1.468
   51   1HG2  THR   8           HG21     THR   8   9.096   8.731  -0.352
   52   2HG2  THR   8           HG22     THR   8   7.443   9.106  -0.969
   53   3HG2  THR   8           HG23     THR   8   8.395  10.371  -0.111
   54    H    THR   9           HN       THR   9   5.250   7.443   2.734
   55    HA   THR   9           HA       THR   9   6.588   6.343   5.116
   56    HB   THR   9           HB       THR   9   4.746   7.572   6.368
   57    HG1  THR   9           HG1      THR   9   3.782   9.246   5.220
   58   1HG2  THR   9           HG22     THR   9   7.093   8.409   6.120
   59   2HG2  THR   9           HG23     THR   9   6.632   9.256   4.593
   60   3HG2  THR   9           HG21     THR   9   5.882   9.745   6.160
   61    H    SER  10           HN       SER  10   5.636   4.737   6.365
   62    HA   SER  10           HA       SER  10   3.501   3.159   5.189
   63   1HB   SER  10           HB2      SER  10   4.006   1.530   7.054
   64   2HB   SER  10           HB3      SER  10   5.343   1.853   5.906
   65    HG   SER  10           HG       SER  10   6.009   1.845   8.056
   66    H    LYS  11           HN       LYS  11   1.928   4.749   5.338
   67    HA   LYS  11           HA       LYS  11   0.174   4.736   7.458
   68   1HB   LYS  11           HB2      LYS  11   2.221   6.535   8.095
   69   2HB   LYS  11           HB3      LYS  11   1.067   7.638   7.320
   70   1HG   LYS  11           HG2      LYS  11   0.428   5.654   9.601
   71   2HG   LYS  11           HG3      LYS  11   0.892   7.376   9.840
   72   1HD   LYS  11           HD2      LYS  11  -1.135   8.130   8.629
   73   2HD   LYS  11           HD3      LYS  11  -1.631   6.421   8.346
   74   1HE   LYS  11           HE2      LYS  11  -1.853   6.029  10.796
   75   2HE   LYS  11           HE3      LYS  11  -1.299   7.721  11.134
   76   1HZ   LYS  11           HZ1      LYS  11  -3.718   6.970   9.578
   77   2HZ   LYS  11           HZ2      LYS  11  -3.688   7.476  11.200
   78   3HZ   LYS  11           HZ3      LYS  11  -3.206   8.543   9.969
   79    H    GLU  12           HN       GLU  12   1.586   6.362   4.593
   80    HA   GLU  12           HA       GLU  12  -0.564   7.597   3.521
   81   1HB   GLU  12           HB2      GLU  12   2.087   7.443   3.173
   82   2HB   GLU  12           HB3      GLU  12   1.674   6.446   1.777
   83   1HG   GLU  12           HG2      GLU  12   0.182   8.363   0.922
   84   2HG   GLU  12           HG3      GLU  12   0.664   9.312   2.382
   85   1HN   ABA  13           HN       ABA  13   0.214   4.190   3.311
   86    HA   ABA  13           HA       ABA  13  -1.033   3.735   0.740
   87   1HB   ABA  13           HB3      ABA  13  -0.042   1.524   0.842
   88   2HB   ABA  13           HB2      ABA  13   0.317   1.704   2.605
   89   1HG   ABA  13           HG1      ABA  13   1.961   3.442   2.161
   90   2HG   ABA  13           HG2      ABA  13   2.276   2.020   1.095
   91   3HG   ABA  13           HG3      ABA  13   1.533   3.505   0.404
   92    H    TRP  14           HN       TRP  14  -2.558   4.086   3.534
   93    HA   TRP  14           HA       TRP  14  -4.189   1.716   3.704
   94   1HB   TRP  14           HB2      TRP  14  -3.929   4.339   5.207
   95   2HB   TRP  14           HB3      TRP  14  -5.442   3.368   5.383
   96    HD1  TRP  14           HD1      TRP  14  -5.573   1.566   6.954
   97    HE1  TRP  14           HE1      TRP  14  -3.992  -0.009   8.150
   98    HE3  TRP  14           HE3      TRP  14  -1.156   3.244   5.047
   99    HZ2  TRP  14           HZ2      TRP  14  -1.173  -0.295   8.570
  100    HZ3  TRP  14           HZ3      TRP  14   0.936   2.178   5.769
  101    HH2  TRP  14           HH2      TRP  14   0.948   0.471   7.545
  102    H    SER  15           HN       SER  15  -4.421   4.960   2.104
  103    HA   SER  15           HA       SER  15  -7.208   4.582   1.404
  104   1HB   SER  15           HB2      SER  15  -6.951   6.890   0.392
  105   2HB   SER  15           HB3      SER  15  -6.611   6.796   2.150
  106    HG   SER  15           HG       SER  15  -4.662   6.765   0.096
  107    H    VAL  16           HN       VAL  16  -4.294   3.398   0.273
  108    HA   VAL  16           HA       VAL  16  -5.178   3.215  -2.529
  109    HB   VAL  16           HB       VAL  16  -2.579   2.177  -1.319
  110   1HG1  VAL  16           HG12     VAL  16  -3.367   1.218  -3.572
  111   2HG1  VAL  16           HG13     VAL  16  -3.470   2.897  -4.205
  112   3HG1  VAL  16           HG11     VAL  16  -1.878   2.210  -3.704
  113   1HG2  VAL  16           HG23     VAL  16  -3.240   4.925  -2.569
  114   2HG2  VAL  16           HG21     VAL  16  -2.625   4.609  -0.899
  115   3HG2  VAL  16           HG22     VAL  16  -1.579   4.284  -2.320
  116    H    CYS  17           HN       CYS  17  -4.473   1.173   0.401
  117    HA   CYS  17           HA       CYS  17  -5.334  -1.215  -0.816
  118   1HB   CYS  17           HB2      CYS  17  -4.621  -0.369   2.013
  119   2HB   CYS  17           HB3      CYS  17  -5.234  -2.016   1.699
  120    H    GLN  18           HN       GLN  18  -7.307   1.360   0.489
  121    HA   GLN  18           HA       GLN  18  -9.510  -0.412   1.186
  122   1HB   GLN  18           HB2      GLN  18  -9.235   2.616   1.247
  123   2HB   GLN  18           HB3      GLN  18 -10.798   1.753   1.557
  124   1HG   GLN  18           HG2      GLN  18  -9.856   0.497   3.403
  125   2HG   GLN  18           HG3      GLN  18  -8.241   1.227   3.117
  126   1HE2  GLN  18           HE22     GLN  18  -8.996   3.992   5.237
  127   2HE2  GLN  18           HE21     GLN  18  -7.829   2.887   4.588
  128    H    ARG  19           HN       ARG  19  -8.572   1.884  -1.347
  129    HA   ARG  19           HA       ARG  19 -11.035   1.664  -2.818
  130   1HB   ARG  19           HB2      ARG  19  -8.411   2.924  -3.736
  131   2HB   ARG  19           HB3      ARG  19 -10.011   3.025  -4.567
  132   1HG   ARG  19           HG2      ARG  19 -10.882   3.955  -2.257
  133   2HG   ARG  19           HG3      ARG  19  -9.154   4.312  -1.944
  134   1HD   ARG  19           HD2      ARG  19 -10.932   5.270  -4.285
  135   2HD   ARG  19           HD3      ARG  19 -10.258   6.302  -2.951
  136    HE   ARG  19           HE       ARG  19  -7.930   5.428  -3.951
  137   1HH1  ARG  19           HH22     ARG  19 -10.807   6.408  -5.841
  138   2HH1  ARG  19           HH21     ARG  19  -9.887   6.900  -7.225
  139   1HH2  ARG  19           HH12     ARG  19  -6.727   6.095  -5.821
  140   2HH2  ARG  19           HH11     ARG  19  -7.550   6.720  -7.212
  141    H    LEU  20           HN       LEU  20  -7.980  -0.107  -2.929
  142    HA   LEU  20           HA       LEU  20  -8.586  -1.458  -5.432
  143   1HB   LEU  20           HB2      LEU  20  -6.226  -1.119  -3.613
  144   2HB   LEU  20           HB3      LEU  20  -6.318  -2.714  -4.422
  145    HG   LEU  20           HG       LEU  20  -4.902  -1.188  -5.569
  146   1HD1  LEU  20           HD12     LEU  20  -6.008  -3.051  -6.780
  147   2HD1  LEU  20           HD13     LEU  20  -7.368  -1.964  -7.257
  148   3HD1  LEU  20           HD11     LEU  20  -5.702  -1.650  -7.872
  149   1HD2  LEU  20           HD21     LEU  20  -6.040   0.998  -5.165
  150   2HD2  LEU  20           HD22     LEU  20  -5.700   0.727  -6.915
  151   3HD2  LEU  20           HD23     LEU  20  -7.374   0.521  -6.285
  152    H    HIS  21           HN       HIS  21  -7.557  -2.665  -2.219
  153    HA   HIS  21           HA       HIS  21  -8.748  -5.241  -2.793
  154   1HB   HIS  21           HB2      HIS  21  -6.884  -4.241  -0.581
  155   2HB   HIS  21           HB3      HIS  21  -7.349  -5.971  -0.805
  156    HD1  HIS  21           HD1      HIS  21  -6.334  -7.209  -2.912
  157    HD2  HIS  21           HD2      HIS  21  -5.067  -3.234  -2.526
  158    HE1  HIS  21           HE1      HIS  21  -4.381  -6.840  -4.516
  159    H    ASN  22           HN       ASN  22  -9.478  -2.544  -0.689
  160    HA   ASN  22           HA       ASN  22 -10.729  -2.054   0.855
  161   1HB   ASN  22           HB2      ASN  22 -12.957  -2.914   1.360
  162   2HB   ASN  22           HB3      ASN  22 -12.642  -2.503  -0.340
  163   1HD2  ASN  22           HD22     ASN  22 -13.593  -5.633  -1.618
  164   2HD2  ASN  22           HD21     ASN  22 -13.144  -3.983  -1.905
  165    H    THR  23           HN       THR  23  -8.701  -2.467   1.966
  166    HA   THR  23           HA       THR  23  -9.138  -4.012   4.378
  167    HB   THR  23           HB       THR  23  -8.095  -5.556   2.626
  168    HG1  THR  23           HG1      THR  23  -7.995  -5.902   4.824
  169   1HG2  THR  23           HG22     THR  23  -6.466  -3.867   1.629
  170   2HG2  THR  23           HG23     THR  23  -5.525  -3.939   3.177
  171   3HG2  THR  23           HG21     THR  23  -5.700  -5.399   2.170
  172    H    SER  24           HN       SER  24  -6.752  -3.645   5.608
  173    HA   SER  24           HA       SER  24  -5.901  -0.881   5.355
  174   1HB   SER  24           HB2      SER  24  -6.330  -0.402   7.806
  175   2HB   SER  24           HB3      SER  24  -7.790  -0.464   6.780
  176    HG   SER  24           HG       SER  24  -8.028  -1.573   8.736
  177    H    ARG  25           HN       ARG  25  -4.866  -3.612   4.799
  178    HA   ARG  25           HA       ARG  25  -2.507  -3.535   6.567
  179   1HB   ARG  25           HB2      ARG  25  -3.924  -5.988   5.354
  180   2HB   ARG  25           HB3      ARG  25  -2.194  -5.987   5.839
  181   1HG   ARG  25           HG2      ARG  25  -3.269  -7.023   7.588
  182   2HG   ARG  25           HG3      ARG  25  -2.788  -5.398   8.170
  183   1HD   ARG  25           HD2      ARG  25  -4.980  -6.123   9.059
  184   2HD   ARG  25           HD3      ARG  25  -5.195  -4.646   8.046
  185    HE   ARG  25           HE       ARG  25  -5.740  -6.376   6.124
  186   1HH1  ARG  25           HH12     ARG  25  -6.775  -6.604   9.548
  187   2HH1  ARG  25           HH11     ARG  25  -8.181  -7.552   9.194
  188   1HH2  ARG  25           HH22     ARG  25  -7.600  -7.718   5.698
  189   2HH2  ARG  25           HH21     ARG  25  -8.653  -8.191   6.990
  190    H    GLY  26           HN       GLY  26  -1.048  -2.503   5.386
  191   1HA   GLY  26           HA1      GLY  26   0.035  -3.379   3.053
  192   2HA   GLY  26           HA2      GLY  26  -1.185  -2.105   2.622
  193    H    LYS  27           HN       LYS  27   1.968  -2.344   2.881
  194    HA   LYS  27           HA       LYS  27   2.399   0.255   4.155
  195   1HB   LYS  27           HB2      LYS  27   3.662  -0.585   5.832
  196   2HB   LYS  27           HB3      LYS  27   3.048  -2.204   5.391
  197   1HG   LYS  27           HG2      LYS  27   5.080  -2.471   3.850
  198   2HG   LYS  27           HG3      LYS  27   5.709  -0.941   4.559
  199   1HD   LYS  27           HD2      LYS  27   5.664  -1.961   6.826
  200   2HD   LYS  27           HD3      LYS  27   5.044  -3.502   6.121
  201   1HE   LYS  27           HE2      LYS  27   7.133  -3.719   4.734
  202   2HE   LYS  27           HE3      LYS  27   7.754  -2.162   5.419
  203   1HZ   LYS  27           HZ1      LYS  27   7.131  -4.627   6.959
  204   2HZ   LYS  27           HZ2      LYS  27   8.673  -4.065   6.523
  205   3HZ   LYS  27           HZ3      LYS  27   7.715  -3.164   7.597
  206    H    CYS  28           HN       CYS  28   4.983   0.716   3.321
  207    HA   CYS  28           HA       CYS  28   5.129  -0.228   0.525
  208   1HB   CYS  28           HB2      CYS  28   5.873   2.074  -0.189
  209   2HB   CYS  28           HB3      CYS  28   4.192   1.950   0.349
  210    H    MET  29           HN       MET  29   7.334   0.367  -0.437
  211    HA   MET  29           HA       MET  29   9.333  -0.739   1.340
  212   1HB   MET  29           HB2      MET  29   8.505  -1.751  -0.921
  213   2HB   MET  29           HB3      MET  29   9.546  -0.530  -1.688
  214   1HG   MET  29           HG2      MET  29  11.384  -1.495   0.013
  215   2HG   MET  29           HG3      MET  29  10.200  -2.828   0.252
  216   1HE   MET  29           HE2      MET  29  13.304  -2.818  -0.696
  217   2HE   MET  29           HE3      MET  29  12.356  -4.306  -0.351
  218   3HE   MET  29           HE1      MET  29  13.290  -4.168  -1.881
  219    H    ASN  30           HN       ASN  30  10.949   0.642  -1.165
  220    HA   ASN  30           HA       ASN  30  11.759   2.954   0.349
  221   1HB   ASN  30           HB2      ASN  30  13.459   3.246  -1.552
  222   2HB   ASN  30           HB3      ASN  30  13.585   1.825  -0.484
  223   1HD2  ASN  30           HD22     ASN  30  13.377  -0.570  -3.040
  224   2HD2  ASN  30           HD21     ASN  30  13.688  -0.184  -1.378
  225    H    LYS  31           HN       LYS  31   9.997   2.388  -2.679
  226    HA   LYS  31           HA       LYS  31   9.469   5.291  -2.936
  227   1HB   LYS  31           HB2      LYS  31  10.622   3.388  -5.042
  228   2HB   LYS  31           HB3      LYS  31   9.996   5.021  -5.426
  229   1HG   LYS  31           HG2      LYS  31  11.665   6.095  -3.996
  230   2HG   LYS  31           HG3      LYS  31  12.391   4.495  -3.598
  231   1HD   LYS  31           HD2      LYS  31  12.880   4.060  -5.954
  232   2HD   LYS  31           HD3      LYS  31  12.083   5.601  -6.443
  233   1HE   LYS  31           HE2      LYS  31  13.802   6.910  -5.120
  234   2HE   LYS  31           HE3      LYS  31  14.641   5.358  -4.709
  235   1HZ   LYS  31           HZ2      LYS  31  14.176   6.439  -7.442
  236   2HZ   LYS  31           HZ3      LYS  31  15.636   6.476  -6.578
  237   3HZ   LYS  31           HZ1      LYS  31  14.973   4.988  -7.061
  238    H    LYS  32           HN       LYS  32   7.849   2.188  -2.849
  239    HA   LYS  32           HA       LYS  32   5.762   3.261  -4.592
  240   1HB   LYS  32           HB2      LYS  32   5.559   1.449  -5.993
  241   2HB   LYS  32           HB3      LYS  32   7.266   1.978  -6.101
  242   1HG   LYS  32           HG2      LYS  32   7.859   0.125  -4.408
  243   2HG   LYS  32           HG3      LYS  32   6.181  -0.506  -4.641
  244   1HD   LYS  32           HD2      LYS  32   6.609  -0.589  -7.114
  245   2HD   LYS  32           HD3      LYS  32   8.326  -0.161  -6.796
  246   1HE   LYS  32           HE2      LYS  32   6.834  -2.683  -5.750
  247   2HE   LYS  32           HE3      LYS  32   8.080  -2.654  -7.063
  248   1HZ   LYS  32           HZ2      LYS  32   8.505  -1.898  -4.219
  249   2HZ   LYS  32           HZ3      LYS  32   8.980  -3.351  -4.961
  250   3HZ   LYS  32           HZ1      LYS  32   9.680  -1.880  -5.445
  251   1HN   ABA  33           HN       ABA  33   3.693   2.278  -4.241
  252    HA   ABA  33           HA       ABA  33   3.278   1.493  -1.526
  253   1HB   ABA  33           HB3      ABA  33   1.452   2.068  -3.911
  254   2HB   ABA  33           HB2      ABA  33   2.006   3.219  -2.659
  255   1HG   ABA  33           HG1      ABA  33  -0.158   2.640  -1.930
  256   2HG   ABA  33           HG2      ABA  33   0.076   0.870  -2.222
  257   3HG   ABA  33           HG3      ABA  33   0.999   1.683  -0.920
  258    H    ARG  34           HN       ARG  34   2.383  -0.441  -0.802
  259    HA   ARG  34           HA       ARG  34   2.098  -2.684  -2.668
  260   1HB   ARG  34           HB2      ARG  34   4.439  -2.576  -1.624
  261   2HB   ARG  34           HB3      ARG  34   3.692  -2.814  -0.021
  262   1HG   ARG  34           HG2      ARG  34   2.832  -5.028  -0.717
  263   2HG   ARG  34           HG3      ARG  34   3.379  -4.735  -2.400
  264   1HD   ARG  34           HD2      ARG  34   5.221  -4.911   0.080
  265   2HD   ARG  34           HD3      ARG  34   4.879  -6.289  -1.065
  266    HE   ARG  34           HE       ARG  34   5.832  -3.904  -2.481
  267   1HH1  ARG  34           HH12     ARG  34   6.954  -6.622  -0.448
  268   2HH1  ARG  34           HH11     ARG  34   8.577  -6.580  -1.051
  269   1HH2  ARG  34           HH22     ARG  34   8.025  -3.862  -3.275
  270   2HH2  ARG  34           HH21     ARG  34   9.192  -4.991  -2.673
  271    H    CYS  35           HN       CYS  35   0.980  -4.528  -1.269
  272    HA   CYS  35           HA       CYS  35  -0.703  -3.521   0.822
  273   1HB   CYS  35           HB2      CYS  35  -1.817  -3.206  -1.584
  274   2HB   CYS  35           HB3      CYS  35  -2.131  -4.955  -1.481
  275    H    TYR  36           HN       TYR  36  -1.563  -5.328   1.998
  276    HA   TYR  36           HA       TYR  36   0.084  -7.771   1.761
  277   1HB   TYR  36           HB2      TYR  36   0.160  -5.505   3.809
  278   2HB   TYR  36           HB3      TYR  36   0.499  -7.179   4.411
  279    HD1  TYR  36           HD1      TYR  36   2.120  -8.528   2.661
  280    HD2  TYR  36           HD2      TYR  36   2.093  -4.299   3.394
  281    HE1  TYR  36           HE1      TYR  36   4.534  -8.412   2.109
  282    HE2  TYR  36           HE2      TYR  36   4.484  -4.165   2.799
  283    HH   TYR  36           HH       TYR  36   6.345  -5.315   2.254
  284    H    SER  37           HN       SER  37  -2.310  -8.060   0.997
  285    HA   SER  37           HA       SER  37  -3.481  -9.674   3.039
  286   1HB   SER  37           HB2      SER  37  -4.618  -7.415   3.523
  287   2HB   SER  37           HB3      SER  37  -5.230  -7.435   1.830
  288    HG   SER  37           HG       SER  37  -5.697  -9.374   3.858
   
  No H/Q in entry =         288
  Start of MODEL   17
    1    HA   PCA   1           HA       PGL   1  -3.441  -8.442  -5.660
    2   1HB   PCA   1           HB2      PGL   1  -4.472  -5.650  -6.478
    3   2HB   PCA   1           HB3      PGL   1  -3.895  -6.975  -7.558
    4   1HG   PCA   1           HG2      PGL   1  -6.594  -6.524  -7.042
    5   2HG   PCA   1           HG3      PGL   1  -5.950  -8.221  -7.202
    6    HN   PCA   1           HN       PGL   1  -4.786  -7.793  -3.532
    7    H    PHE   2           HN       PHE   2  -1.705  -6.573  -6.561
    8    HA   PHE   2           HA       PHE   2  -0.626  -5.102  -4.252
    9   1HB   PHE   2           HB2      PHE   2   0.886  -6.388  -6.628
   10   2HB   PHE   2           HB3      PHE   2   1.629  -5.384  -5.321
   11    HD1  PHE   2           HD2      PHE   2   0.515  -6.368  -2.823
   12    HD2  PHE   2           HD1      PHE   2   1.578  -8.570  -6.366
   13    HE1  PHE   2           HE2      PHE   2   0.798  -8.418  -1.476
   14    HE2  PHE   2           HE1      PHE   2   1.889 -10.605  -5.001
   15    HZ   PHE   2           HZ       PHE   2   1.487 -10.534  -2.554
   16    H    THR   3           HN       THR   3   0.428  -3.079  -4.891
   17    HA   THR   3           HA       THR   3  -1.041  -1.736  -7.061
   18    HB   THR   3           HB       THR   3  -0.660   0.287  -5.440
   19    HG1  THR   3           HG1      THR   3   0.135  -0.176  -3.607
   20   1HG2  THR   3           HG22     THR   3  -2.597  -2.008  -4.693
   21   2HG2  THR   3           HG23     THR   3  -2.679  -0.313  -4.098
   22   3HG2  THR   3           HG21     THR   3  -2.895  -0.658  -5.855
   23    H    ASN   4           HN       ASN   4   0.189   0.330  -7.759
   24    HA   ASN   4           HA       ASN   4   3.074   0.152  -7.625
   25   1HB   ASN   4           HB2      ASN   4   3.206   0.304 -10.201
   26   2HB   ASN   4           HB3      ASN   4   2.873  -1.294  -9.491
   27   1HD2  ASN   4           HD22     ASN   4  -0.145  -1.816 -11.227
   28   2HD2  ASN   4           HD21     ASN   4   1.114  -2.438 -10.214
   29    H    VAL   5           HN       VAL   5   1.648   1.883  -6.246
   30    HA   VAL   5           HA       VAL   5   1.693   4.436  -7.694
   31    HB   VAL   5           HB       VAL   5   1.016   4.202  -4.742
   32   1HG1  VAL   5           HG12     VAL   5   0.014   5.897  -7.148
   33   2HG1  VAL   5           HG13     VAL   5  -0.624   6.002  -5.467
   34   3HG1  VAL   5           HG11     VAL   5   1.073   6.479  -5.813
   35   1HG2  VAL   5           HG23     VAL   5  -0.788   3.287  -7.054
   36   2HG2  VAL   5           HG21     VAL   5  -0.228   2.342  -5.605
   37   3HG2  VAL   5           HG22     VAL   5  -1.354   3.725  -5.400
   38    H    SER   6           HN       SER   6   2.696   6.165  -5.778
   39    HA   SER   6           HA       SER   6   5.395   5.169  -5.110
   40   1HB   SER   6           HB2      SER   6   6.081   7.622  -5.070
   41   2HB   SER   6           HB3      SER   6   5.745   6.871  -6.657
   42    HG   SER   6           HG       SER   6   4.821   8.916  -6.443
   43    H    CYS   7           HN       CYS   7   5.982   5.063  -3.099
   44    HA   CYS   7           HA       CYS   7   4.451   6.538  -0.996
   45   1HB   CYS   7           HB2      CYS   7   3.317   4.555  -1.009
   46   2HB   CYS   7           HB3      CYS   7   4.757   3.548  -1.058
   47    H    THR   8           HN       THR   8   5.604   6.985   0.837
   48    HA   THR   8           HA       THR   8   8.458   6.299   0.995
   49    HB   THR   8           HB       THR   8   8.911   8.611   1.959
   50    HG1  THR   8           HG1      THR   8   6.700   9.215   2.124
   51   1HG2  THR   8           HG21     THR   8   9.692   7.827  -0.287
   52   2HG2  THR   8           HG22     THR   8   8.171   8.437  -1.038
   53   3HG2  THR   8           HG23     THR   8   9.319   9.590  -0.267
   54    H    THR   9           HN       THR   9   5.520   7.603   2.629
   55    HA   THR   9           HA       THR   9   6.407   6.549   5.220
   56    HB   THR   9           HB       THR   9   4.462   8.010   6.077
   57    HG1  THR   9           HG1      THR   9   4.804   9.063   3.457
   58   1HG2  THR   9           HG22     THR   9   6.890   8.547   6.293
   59   2HG2  THR   9           HG23     THR   9   6.861   9.347   4.673
   60   3HG2  THR   9           HG21     THR   9   5.878  10.017   6.032
   61    H    SER  10           HN       SER  10   5.445   4.829   6.124
   62    HA   SER  10           HA       SER  10   3.359   3.409   4.725
   63   1HB   SER  10           HB2      SER  10   3.879   1.583   6.418
   64   2HB   SER  10           HB3      SER  10   5.228   2.087   5.351
   65    HG   SER  10           HG       SER  10   4.816   2.978   8.005
   66    H    LYS  11           HN       LYS  11   1.775   5.069   5.090
   67    HA   LYS  11           HA       LYS  11  -0.114   4.461   6.934
   68   1HB   LYS  11           HB2      LYS  11   1.764   6.279   8.178
   69   2HB   LYS  11           HB3      LYS  11   0.270   7.207   7.908
   70   1HG   LYS  11           HG2      LYS  11   0.462   4.489   9.343
   71   2HG   LYS  11           HG3      LYS  11   0.324   6.099  10.124
   72   1HD   LYS  11           HD2      LYS  11  -1.934   6.425   9.112
   73   2HD   LYS  11           HD3      LYS  11  -1.797   4.857   8.249
   74   1HE   LYS  11           HE2      LYS  11  -3.215   4.568  10.234
   75   2HE   LYS  11           HE3      LYS  11  -1.681   3.630  10.440
   76   1HZ   LYS  11           HZ3      LYS  11  -0.840   5.440  11.791
   77   2HZ   LYS  11           HZ1      LYS  11  -2.296   6.296  11.606
   78   3HZ   LYS  11           HZ2      LYS  11  -2.284   4.806  12.422
   79    H    GLU  12           HN       GLU  12   1.394   6.808   4.702
   80    HA   GLU  12           HA       GLU  12  -0.688   8.307   3.914
   81   1HB   GLU  12           HB2      GLU  12   1.907   8.219   3.531
   82   2HB   GLU  12           HB3      GLU  12   1.559   7.394   2.013
   83   1HG   GLU  12           HG2      GLU  12   0.440  10.155   2.901
   84   2HG   GLU  12           HG3      GLU  12   1.924   9.921   1.909
   85   1HN   ABA  13           HN       ABA  13   0.237   5.094   2.651
   86    HA   ABA  13           HA       ABA  13  -1.731   5.196   0.467
   87   1HB   ABA  13           HB3      ABA  13   0.578   5.015  -0.204
   88   2HB   ABA  13           HB2      ABA  13  -0.309   3.530  -0.592
   89   1HG   ABA  13           HG1      ABA  13   0.800   2.385   1.401
   90   2HG   ABA  13           HG2      ABA  13   1.991   3.147   0.262
   91   3HG   ABA  13           HG3      ABA  13   1.596   3.961   1.818
   92    H    TRP  14           HN       TRP  14  -2.514   4.601   3.243
   93    HA   TRP  14           HA       TRP  14  -3.253   1.802   3.255
   94   1HB   TRP  14           HB2      TRP  14  -3.603   4.123   5.236
   95   2HB   TRP  14           HB3      TRP  14  -4.384   2.524   5.499
   96    HD1  TRP  14           HD1      TRP  14  -0.617   3.054   4.349
   97    HE1  TRP  14           HE1      TRP  14   0.722   1.465   5.764
   98    HE3  TRP  14           HE3      TRP  14  -4.273   1.677   7.662
   99    HZ2  TRP  14           HZ2      TRP  14   0.385  -0.101   8.112
  100    HZ3  TRP  14           HZ3      TRP  14  -3.708   0.030   9.416
  101    HH2  TRP  14           HH2      TRP  14  -1.420  -0.902   9.581
  102    H    SER  15           HN       SER  15  -4.669   4.785   2.045
  103    HA   SER  15           HA       SER  15  -7.370   3.794   2.012
  104   1HB   SER  15           HB2      SER  15  -7.848   6.053   0.962
  105   2HB   SER  15           HB3      SER  15  -7.154   6.102   2.614
  106    HG   SER  15           HG       SER  15  -5.117   6.455   1.658
  107    H    VAL  16           HN       VAL  16  -4.570   3.238   0.306
  108    HA   VAL  16           HA       VAL  16  -5.749   3.070  -2.386
  109    HB   VAL  16           HB       VAL  16  -2.886   2.519  -1.435
  110   1HG1  VAL  16           HG12     VAL  16  -3.610   1.435  -3.670
  111   2HG1  VAL  16           HG13     VAL  16  -3.982   3.095  -4.274
  112   3HG1  VAL  16           HG11     VAL  16  -2.294   2.644  -3.804
  113   1HG2  VAL  16           HG22     VAL  16  -4.168   5.058  -2.649
  114   2HG2  VAL  16           HG23     VAL  16  -3.489   4.897  -0.986
  115   3HG2  VAL  16           HG21     VAL  16  -2.403   4.796  -2.415
  116    H    CYS  17           HN       CYS  17  -4.477   0.974   0.269
  117    HA   CYS  17           HA       CYS  17  -5.090  -1.515  -0.939
  118   1HB   CYS  17           HB2      CYS  17  -4.720  -0.487   1.941
  119   2HB   CYS  17           HB3      CYS  17  -5.107  -2.200   1.651
  120    H    GLN  18           HN       GLN  18  -7.163   0.910   0.559
  121    HA   GLN  18           HA       GLN  18  -9.240  -0.850   1.368
  122   1HB   GLN  18           HB2      GLN  18  -8.340   1.160   2.559
  123   2HB   GLN  18           HB3      GLN  18  -9.021   2.228   1.314
  124   1HG   GLN  18           HG2      GLN  18 -10.685   0.143   2.836
  125   2HG   GLN  18           HG3      GLN  18 -10.266   1.735   3.595
  126   1HE2  GLN  18           HE22     GLN  18 -12.284   3.707   1.243
  127   2HE2  GLN  18           HE21     GLN  18 -10.700   3.701   1.942
  128    H    ARG  19           HN       ARG  19  -8.753   1.681  -1.076
  129    HA   ARG  19           HA       ARG  19 -11.361   1.434  -2.205
  130   1HB   ARG  19           HB2      ARG  19 -11.136   3.485  -2.915
  131   2HB   ARG  19           HB3      ARG  19  -9.625   3.497  -1.967
  132   1HG   ARG  19           HG2      ARG  19  -9.097   4.537  -3.899
  133   2HG   ARG  19           HG3      ARG  19  -8.389   2.921  -4.183
  134   1HD   ARG  19           HD2      ARG  19  -9.943   2.447  -5.938
  135   2HD   ARG  19           HD3      ARG  19 -11.259   3.427  -5.149
  136    HE   ARG  19           HE       ARG  19  -9.345   5.318  -5.832
  137   1HH1  ARG  19           HH12     ARG  19 -11.315   2.906  -7.589
  138   2HH1  ARG  19           HH11     ARG  19 -11.516   3.890  -9.001
  139   1HH2  ARG  19           HH22     ARG  19  -9.597   6.620  -7.780
  140   2HH2  ARG  19           HH21     ARG  19 -10.531   6.018  -9.109
  141    H    LEU  20           HN       LEU  20  -8.272  -0.059  -2.993
  142    HA   LEU  20           HA       LEU  20  -9.006  -0.895  -5.669
  143   1HB   LEU  20           HB2      LEU  20  -6.622  -1.158  -3.831
  144   2HB   LEU  20           HB3      LEU  20  -6.756  -2.375  -5.130
  145    HG   LEU  20           HG       LEU  20  -5.294  -0.484  -5.566
  146   1HD1  LEU  20           HD13     LEU  20  -6.183  -2.022  -7.336
  147   2HD1  LEU  20           HD11     LEU  20  -7.536  -0.870  -7.655
  148   3HD1  LEU  20           HD12     LEU  20  -5.832  -0.375  -7.980
  149   1HD2  LEU  20           HD22     LEU  20  -6.666   1.459  -4.754
  150   2HD2  LEU  20           HD23     LEU  20  -6.111   1.672  -6.452
  151   3HD2  LEU  20           HD21     LEU  20  -7.819   1.208  -6.117
  152    H    HIS  21           HN       HIS  21  -8.070  -2.612  -2.601
  153    HA   HIS  21           HA       HIS  21 -10.002  -4.743  -3.234
  154   1HB   HIS  21           HB2      HIS  21  -8.737  -5.933  -1.229
  155   2HB   HIS  21           HB3      HIS  21  -8.218  -5.994  -2.927
  156    HD1  HIS  21           HD1      HIS  21  -6.597  -6.419  -0.219
  157    HD2  HIS  21           HD2      HIS  21  -6.072  -3.532  -3.224
  158    HE1  HIS  21           HE1      HIS  21  -4.121  -5.883  -0.413
  159    H    ASN  22           HN       ASN  22  -9.133  -4.470   0.030
  160    HA   ASN  22           HA       ASN  22 -11.089  -2.789   1.056
  161   1HB   ASN  22           HB2      ASN  22 -12.922  -4.372   1.780
  162   2HB   ASN  22           HB3      ASN  22 -12.905  -4.046   0.038
  163   1HD2  ASN  22           HD22     ASN  22 -12.854  -7.882   1.316
  164   2HD2  ASN  22           HD21     ASN  22 -13.161  -6.516   2.336
  165    H    THR  23           HN       THR  23  -8.689  -2.900   1.926
  166    HA   THR  23           HA       THR  23  -8.855  -4.276   4.461
  167    HB   THR  23           HB       THR  23  -7.754  -5.887   2.818
  168    HG1  THR  23           HG1      THR  23  -7.528  -6.035   5.012
  169   1HG2  THR  23           HG21     THR  23  -6.343  -4.152   1.591
  170   2HG2  THR  23           HG22     THR  23  -5.331  -4.003   3.102
  171   3HG2  THR  23           HG23     THR  23  -5.416  -5.559   2.220
  172    H    SER  24           HN       SER  24  -6.586  -3.573   5.598
  173    HA   SER  24           HA       SER  24  -6.117  -0.709   5.067
  174   1HB   SER  24           HB2      SER  24  -6.603  -1.997   7.829
  175   2HB   SER  24           HB3      SER  24  -6.061  -0.296   7.542
  176    HG   SER  24           HG       SER  24  -8.286  -0.535   7.893
  177    H    ARG  25           HN       ARG  25  -4.927  -3.942   5.530
  178    HA   ARG  25           HA       ARG  25  -2.419  -3.152   6.774
  179   1HB   ARG  25           HB2      ARG  25  -3.645  -5.896   6.085
  180   2HB   ARG  25           HB3      ARG  25  -1.995  -5.658   6.759
  181   1HG   ARG  25           HG2      ARG  25  -3.382  -6.314   8.543
  182   2HG   ARG  25           HG3      ARG  25  -2.909  -4.604   8.795
  183   1HD   ARG  25           HD2      ARG  25  -5.276  -5.048   9.473
  184   2HD   ARG  25           HD3      ARG  25  -5.201  -3.846   8.146
  185    HE   ARG  25           HE       ARG  25  -5.910  -5.509   6.520
  186   1HH1  ARG  25           HH22     ARG  25  -6.048  -6.712   9.902
  187   2HH1  ARG  25           HH21     ARG  25  -7.086  -8.046   9.519
  188   1HH2  ARG  25           HH12     ARG  25  -7.329  -7.299   6.057
  189   2HH2  ARG  25           HH11     ARG  25  -7.819  -8.383   7.317
  190    H    GLY  26           HN       GLY  26  -0.859  -2.528   5.551
  191   1HA   GLY  26           HA1      GLY  26   0.293  -3.526   3.337
  192   2HA   GLY  26           HA2      GLY  26  -1.104  -2.555   2.721
  193    H    LYS  27           HN       LYS  27   1.991  -2.204   2.812
  194    HA   LYS  27           HA       LYS  27   2.156   0.431   4.100
  195   1HB   LYS  27           HB2      LYS  27   4.237  -1.849   4.295
  196   2HB   LYS  27           HB3      LYS  27   4.375  -0.207   5.014
  197   1HG   LYS  27           HG2      LYS  27   2.424  -0.743   6.512
  198   2HG   LYS  27           HG3      LYS  27   2.346  -2.387   5.773
  199   1HD   LYS  27           HD2      LYS  27   4.695  -2.835   6.508
  200   2HD   LYS  27           HD3      LYS  27   4.719  -1.240   7.353
  201   1HE   LYS  27           HE2      LYS  27   2.793  -1.995   8.807
  202   2HE   LYS  27           HE3      LYS  27   2.768  -3.586   7.937
  203   1HZ   LYS  27           HZ3      LYS  27   5.054  -2.487   9.492
  204   2HZ   LYS  27           HZ1      LYS  27   3.966  -3.691  10.006
  205   3HZ   LYS  27           HZ2      LYS  27   5.004  -3.988   8.692
  206    H    CYS  28           HN       CYS  28   5.153  -0.003   3.262
  207    HA   CYS  28           HA       CYS  28   5.055  -0.404   0.445
  208   1HB   CYS  28           HB2      CYS  28   5.990   1.900  -0.166
  209   2HB   CYS  28           HB3      CYS  28   4.282   1.827   0.319
  210    H    MET  29           HN       MET  29   7.339   0.126  -0.489
  211    HA   MET  29           HA       MET  29   9.309  -1.133   1.210
  212   1HB   MET  29           HB2      MET  29   8.566  -1.978  -1.085
  213   2HB   MET  29           HB3      MET  29   9.394  -0.578  -1.804
  214   1HG   MET  29           HG2      MET  29  11.543  -1.432  -0.630
  215   2HG   MET  29           HG3      MET  29  10.583  -2.833  -0.054
  216   1HE   MET  29           HE1      MET  29  12.359  -4.382  -0.967
  217   2HE   MET  29           HE2      MET  29  12.981  -4.408  -2.654
  218   3HE   MET  29           HE3      MET  29  13.317  -2.995  -1.592
  219    H    ASN  30           HN       ASN  30  10.990   0.444  -1.076
  220    HA   ASN  30           HA       ASN  30  11.704   2.701   0.540
  221   1HB   ASN  30           HB2      ASN  30  13.543   3.077  -1.037
  222   2HB   ASN  30           HB3      ASN  30  13.511   1.434  -0.345
  223   1HD2  ASN  30           HD22     ASN  30  14.330   1.371  -4.061
  224   2HD2  ASN  30           HD21     ASN  30  14.891   2.351  -2.742
  225    H    LYS  31           HN       LYS  31  10.058   2.205  -2.564
  226    HA   LYS  31           HA       LYS  31   9.606   5.112  -2.838
  227   1HB   LYS  31           HB2      LYS  31  10.784   3.174  -4.902
  228   2HB   LYS  31           HB3      LYS  31  10.243   4.849  -5.283
  229   1HG   LYS  31           HG2      LYS  31  11.923   5.825  -3.800
  230   2HG   LYS  31           HG3      LYS  31  12.495   4.193  -3.312
  231   1HD   LYS  31           HD2      LYS  31  13.116   3.665  -5.644
  232   2HD   LYS  31           HD3      LYS  31  12.624   5.324  -6.164
  233   1HE   LYS  31           HE2      LYS  31  14.362   6.327  -4.640
  234   2HE   LYS  31           HE3      LYS  31  14.829   4.669  -4.082
  235   1HZ   LYS  31           HZ1      LYS  31  15.454   4.135  -6.335
  236   2HZ   LYS  31           HZ2      LYS  31  15.024   5.693  -6.862
  237   3HZ   LYS  31           HZ3      LYS  31  16.303   5.484  -5.757
  238    H    LYS  32           HN       LYS  32   7.916   2.049  -2.788
  239    HA   LYS  32           HA       LYS  32   5.909   3.171  -4.588
  240   1HB   LYS  32           HB2      LYS  32   5.692   1.369  -5.981
  241   2HB   LYS  32           HB3      LYS  32   7.406   1.850  -6.061
  242   1HG   LYS  32           HG2      LYS  32   7.979  -0.027  -4.412
  243   2HG   LYS  32           HG3      LYS  32   6.269  -0.603  -4.561
  244   1HD   LYS  32           HD2      LYS  32   6.548  -0.793  -7.012
  245   2HD   LYS  32           HD3      LYS  32   8.274  -0.302  -6.840
  246   1HE   LYS  32           HE2      LYS  32   8.696  -2.336  -5.372
  247   2HE   LYS  32           HE3      LYS  32   6.959  -2.816  -5.551
  248   1HZ   LYS  32           HZ2      LYS  32   7.329  -3.021  -7.926
  249   2HZ   LYS  32           HZ3      LYS  32   8.964  -2.597  -7.737
  250   3HZ   LYS  32           HZ1      LYS  32   8.368  -4.025  -7.035
  251   1HN   ABA  33           HN       ABA  33   3.785   2.230  -4.310
  252    HA   ABA  33           HA       ABA  33   3.235   1.432  -1.631
  253   1HB   ABA  33           HB3      ABA  33   1.459   1.869  -4.072
  254   2HB   ABA  33           HB2      ABA  33   1.938   3.077  -2.831
  255   1HG   ABA  33           HG1      ABA  33   0.898   1.707  -1.044
  256   2HG   ABA  33           HG2      ABA  33  -0.288   2.308  -2.278
  257   3HG   ABA  33           HG3      ABA  33   0.209   0.581  -2.232
  258    H    ARG  34           HN       ARG  34   2.594  -0.578  -0.939
  259    HA   ARG  34           HA       ARG  34   2.048  -2.763  -2.802
  260   1HB   ARG  34           HB2      ARG  34   4.346  -2.640  -0.842
  261   2HB   ARG  34           HB3      ARG  34   3.376  -4.147  -0.786
  262   1HG   ARG  34           HG2      ARG  34   3.595  -4.448  -3.220
  263   2HG   ARG  34           HG3      ARG  34   4.724  -3.052  -3.311
  264   1HD   ARG  34           HD2      ARG  34   6.399  -4.193  -1.939
  265   2HD   ARG  34           HD3      ARG  34   5.229  -5.475  -1.442
  266    HE   ARG  34           HE       ARG  34   6.645  -5.208  -4.069
  267   1HH1  ARG  34           HH22     ARG  34   4.085  -6.916  -2.229
  268   2HH1  ARG  34           HH21     ARG  34   3.986  -8.236  -3.347
  269   1HH2  ARG  34           HH12     ARG  34   6.492  -6.996  -5.544
  270   2HH2  ARG  34           HH11     ARG  34   5.372  -8.283  -5.250
  271    H    CYS  35           HN       CYS  35   1.250  -4.647  -1.115
  272    HA   CYS  35           HA       CYS  35  -0.238  -3.541   1.009
  273   1HB   CYS  35           HB2      CYS  35  -1.702  -3.313  -1.212
  274   2HB   CYS  35           HB3      CYS  35  -1.968  -5.055  -1.021
  275    H    TYR  36           HN       TYR  36  -0.998  -5.285   2.368
  276    HA   TYR  36           HA       TYR  36   0.658  -7.712   2.136
  277   1HB   TYR  36           HB2      TYR  36   0.773  -5.376   4.108
  278   2HB   TYR  36           HB3      TYR  36   1.409  -6.986   4.621
  279    HD1  TYR  36           HD2      TYR  36   2.871  -7.958   2.256
  280    HD2  TYR  36           HD1      TYR  36   2.538  -3.976   3.836
  281    HE1  TYR  36           HE2      TYR  36   5.019  -7.350   1.189
  282    HE2  TYR  36           HE1      TYR  36   4.671  -3.363   2.760
  283    HH   TYR  36           HH       TYR  36   6.548  -5.742   0.838
  284    H    SER  37           HN       SER  37  -1.786  -8.086   1.629
  285    HA   SER  37           HA       SER  37  -3.111  -8.951   4.131
  286   1HB   SER  37           HB2      SER  37  -5.260  -8.884   2.807
  287   2HB   SER  37           HB3      SER  37  -4.530  -7.279   3.158
  288    HG   SER  37           HG       SER  37  -3.658  -7.290   1.074
   
  No H/Q in entry =         288
  Start of MODEL   18
    1    HA   PCA   1           HA       PGL   1  -3.264  -8.621  -4.594
    2   1HB   PCA   1           HB2      PGL   1  -3.767  -6.260  -6.511
    3   2HB   PCA   1           HB3      PGL   1  -3.381  -7.976  -6.914
    4   1HG   PCA   1           HG2      PGL   1  -5.965  -6.872  -6.965
    5   2HG   PCA   1           HG3      PGL   1  -5.669  -8.624  -6.551
    6    HN   PCA   1           HN       PGL   1  -4.759  -7.222  -3.032
    7    H    PHE   2           HN       PHE   2  -1.436  -6.798  -6.011
    8    HA   PHE   2           HA       PHE   2  -0.337  -5.136  -3.837
    9   1HB   PHE   2           HB2      PHE   2   1.090  -6.382  -6.288
   10   2HB   PHE   2           HB3      PHE   2   1.862  -5.399  -4.981
   11    HD1  PHE   2           HD1      PHE   2   0.984  -6.415  -2.482
   12    HD2  PHE   2           HD2      PHE   2   1.655  -8.606  -6.121
   13    HE1  PHE   2           HE1      PHE   2   1.348  -8.486  -1.176
   14    HE2  PHE   2           HE2      PHE   2   2.027 -10.666  -4.808
   15    HZ   PHE   2           HZ       PHE   2   1.864 -10.612  -2.334
   16    H    THR   3           HN       THR   3   0.350  -2.999  -4.456
   17    HA   THR   3           HA       THR   3  -1.168  -1.934  -6.718
   18    HB   THR   3           HB       THR   3  -1.639  -0.051  -5.595
   19    HG1  THR   3           HG1      THR   3  -0.476   0.607  -3.690
   20   1HG2  THR   3           HG22     THR   3  -2.577  -2.039  -4.276
   21   2HG2  THR   3           HG23     THR   3  -1.125  -1.969  -3.210
   22   3HG2  THR   3           HG21     THR   3  -2.272  -0.603  -3.252
   23    H    ASN   4           HN       ASN   4  -0.013   0.272  -7.544
   24    HA   ASN   4           HA       ASN   4   2.868   0.069  -7.692
   25   1HB   ASN   4           HB2      ASN   4   2.772   0.214 -10.260
   26   2HB   ASN   4           HB3      ASN   4   2.457  -1.385  -9.541
   27   1HD2  ASN   4           HD22     ASN   4  -0.785  -1.778 -10.885
   28   2HD2  ASN   4           HD21     ASN   4   0.488  -2.422  -9.904
   29    H    VAL   5           HN       VAL   5   1.339   1.815  -6.220
   30    HA   VAL   5           HA       VAL   5   1.330   4.346  -7.710
   31    HB   VAL   5           HB       VAL   5   0.720   4.147  -4.740
   32   1HG1  VAL   5           HG11     VAL   5  -0.374   5.802  -7.125
   33   2HG1  VAL   5           HG12     VAL   5  -0.939   5.917  -5.417
   34   3HG1  VAL   5           HG13     VAL   5   0.730   6.415  -5.836
   35   1HG2  VAL   5           HG21     VAL   5  -1.070   3.181  -7.051
   36   2HG2  VAL   5           HG22     VAL   5  -0.501   2.264  -5.589
   37   3HG2  VAL   5           HG23     VAL   5  -1.655   3.631  -5.408
   38    H    SER   6           HN       SER   6   2.327   6.151  -5.853
   39    HA   SER   6           HA       SER   6   5.107   5.282  -5.342
   40   1HB   SER   6           HB2      SER   6   5.650   7.774  -5.305
   41   2HB   SER   6           HB3      SER   6   5.253   7.030  -6.878
   42    HG   SER   6           HG       SER   6   4.222   9.013  -6.560
   43    H    CYS   7           HN       CYS   7   5.880   5.274  -3.335
   44    HA   CYS   7           HA       CYS   7   4.242   6.527  -1.151
   45   1HB   CYS   7           HB2      CYS   7   3.441   4.377  -1.218
   46   2HB   CYS   7           HB3      CYS   7   5.034   3.628  -1.201
   47    H    THR   8           HN       THR   8   5.376   7.099   0.640
   48    HA   THR   8           HA       THR   8   8.286   6.795   0.769
   49    HB   THR   8           HB       THR   8   8.431   9.126   1.807
   50    HG1  THR   8           HG1      THR   8   5.975   9.388   0.399
   51   1HG2  THR   8           HG22     THR   8   9.324   8.511  -0.457
   52   2HG2  THR   8           HG23     THR   8   7.736   8.936  -1.198
   53   3HG2  THR   8           HG21     THR   8   8.720  10.207  -0.387
   54    H    THR   9           HN       THR   9   5.194   7.641   2.436
   55    HA   THR   9           HA       THR   9   6.287   6.762   5.014
   56    HB   THR   9           HB       THR   9   4.277   8.029   5.944
   57    HG1  THR   9           HG1      THR   9   3.088   8.137   4.021
   58   1HG2  THR   9           HG21     THR   9   6.608   8.919   5.918
   59   2HG2  THR   9           HG22     THR   9   6.344   9.603   4.268
   60   3HG2  THR   9           HG23     THR   9   5.380  10.219   5.660
   61    H    SER  10           HN       SER  10   5.374   5.108   6.184
   62    HA   SER  10           HA       SER  10   3.213   3.551   4.999
   63   1HB   SER  10           HB2      SER  10   3.696   1.870   6.785
   64   2HB   SER  10           HB3      SER  10   5.045   2.201   5.650
   65    HG   SER  10           HG       SER  10   5.942   3.571   7.202
   66    H    LYS  11           HN       LYS  11   1.616   4.997   5.157
   67    HA   LYS  11           HA       LYS  11  -0.138   4.838   7.252
   68   1HB   LYS  11           HB2      LYS  11   1.378   6.594   8.374
   69   2HB   LYS  11           HB3      LYS  11   0.958   7.721   7.054
   70   1HG   LYS  11           HG2      LYS  11  -1.495   7.503   7.740
   71   2HG   LYS  11           HG3      LYS  11  -0.993   6.314   8.996
   72   1HD   LYS  11           HD2      LYS  11   0.457   8.150  10.026
   73   2HD   LYS  11           HD3      LYS  11  -0.287   9.307   8.860
   74   1HE   LYS  11           HE2      LYS  11  -2.576   8.756   9.816
   75   2HE   LYS  11           HE3      LYS  11  -1.794   7.613  10.983
   76   1HZ   LYS  11           HZ3      LYS  11  -0.517   9.504  11.827
   77   2HZ   LYS  11           HZ1      LYS  11  -1.378  10.548  10.799
   78   3HZ   LYS  11           HZ2      LYS  11  -2.195   9.689  12.017
   79    H    GLU  12           HN       GLU  12   1.186   6.629   4.451
   80    HA   GLU  12           HA       GLU  12  -0.971   7.573   3.168
   81   1HB   GLU  12           HB2      GLU  12   1.643   7.648   2.959
   82   2HB   GLU  12           HB3      GLU  12   1.505   6.366   1.765
   83   1HG   GLU  12           HG2      GLU  12   0.015   9.087   1.617
   84   2HG   GLU  12           HG3      GLU  12   1.656   8.804   0.935
   85   1HN   ABA  13           HN       ABA  13   0.097   4.245   3.293
   86    HA   ABA  13           HA       ABA  13  -1.002   3.443   0.751
   87   1HB   ABA  13           HB3      ABA  13   0.212   1.382   1.089
   88   2HB   ABA  13           HB2      ABA  13   0.436   1.726   2.850
   89   1HG   ABA  13           HG1      ABA  13   2.465   2.126   1.500
   90   2HG   ABA  13           HG2      ABA  13   1.640   3.428   0.561
   91   3HG   ABA  13           HG3      ABA  13   1.921   3.628   2.332
   92    H    TRP  14           HN       TRP  14  -2.412   3.722   3.744
   93    HA   TRP  14           HA       TRP  14  -4.053   1.364   3.853
   94   1HB   TRP  14           HB2      TRP  14  -3.704   3.950   5.418
   95   2HB   TRP  14           HB3      TRP  14  -5.228   3.012   5.642
   96    HD1  TRP  14           HD1      TRP  14  -5.278   1.038   7.113
   97    HE1  TRP  14           HE1      TRP  14  -3.599  -0.493   8.230
   98    HE3  TRP  14           HE3      TRP  14  -0.986   3.065   5.248
   99    HZ2  TRP  14           HZ2      TRP  14  -0.758  -0.605   8.636
  100    HZ3  TRP  14           HZ3      TRP  14   1.176   2.129   5.958
  101    HH2  TRP  14           HH2      TRP  14   1.306   0.371   7.673
  102    H    SER  15           HN       SER  15  -4.334   4.659   2.414
  103    HA   SER  15           HA       SER  15  -7.104   4.227   1.664
  104   1HB   SER  15           HB2      SER  15  -6.929   6.575   0.760
  105   2HB   SER  15           HB3      SER  15  -6.591   6.425   2.513
  106    HG   SER  15           HG       SER  15  -4.370   6.416   2.005
  107    H    VAL  16           HN       VAL  16  -4.219   3.016   0.532
  108    HA   VAL  16           HA       VAL  16  -5.124   3.060  -2.275
  109    HB   VAL  16           HB       VAL  16  -2.455   2.069  -1.176
  110   1HG1  VAL  16           HG12     VAL  16  -3.165   1.195  -3.474
  111   2HG1  VAL  16           HG13     VAL  16  -3.417   2.892  -4.009
  112   3HG1  VAL  16           HG11     VAL  16  -1.769   2.315  -3.552
  113   1HG2  VAL  16           HG23     VAL  16  -3.277   4.841  -2.272
  114   2HG2  VAL  16           HG21     VAL  16  -2.637   4.472  -0.625
  115   3HG2  VAL  16           HG22     VAL  16  -1.580   4.280  -2.062
  116    H    CYS  17           HN       CYS  17  -4.791   0.895   0.614
  117    HA   CYS  17           HA       CYS  17  -5.292  -1.500  -0.934
  118   1HB   CYS  17           HB2      CYS  17  -5.066  -0.848   2.066
  119   2HB   CYS  17           HB3      CYS  17  -5.392  -2.498   1.451
  120    H    GLN  18           HN       GLN  18  -7.235   0.998   0.583
  121    HA   GLN  18           HA       GLN  18  -9.618  -0.640   0.782
  122   1HB   GLN  18           HB2      GLN  18  -9.150   2.332   1.310
  123   2HB   GLN  18           HB3      GLN  18 -10.721   1.463   1.566
  124   1HG   GLN  18           HG2      GLN  18  -9.719  -0.031   3.214
  125   2HG   GLN  18           HG3      GLN  18  -8.091   0.681   2.912
  126   1HE2  GLN  18           HE22     GLN  18  -9.045   2.456   5.947
  127   2HE2  GLN  18           HE21     GLN  18  -8.366   0.960   5.400
  128    H    ARG  19           HN       ARG  19  -8.125   1.701  -1.391
  129    HA   ARG  19           HA       ARG  19 -10.521   2.001  -3.021
  130   1HB   ARG  19           HB2      ARG  19  -7.733   3.215  -3.314
  131   2HB   ARG  19           HB3      ARG  19  -9.108   3.553  -4.422
  132   1HG   ARG  19           HG2      ARG  19  -8.952   4.223  -1.432
  133   2HG   ARG  19           HG3      ARG  19  -8.866   5.359  -2.821
  134   1HD   ARG  19           HD2      ARG  19 -11.282   3.719  -1.835
  135   2HD   ARG  19           HD3      ARG  19 -11.083   5.523  -1.803
  136    HE   ARG  19           HE       ARG  19 -10.816   5.004  -4.491
  137   1HH1  ARG  19           HH12     ARG  19 -13.296   3.922  -2.151
  138   2HH1  ARG  19           HH11     ARG  19 -14.531   3.731  -3.353
  139   1HH2  ARG  19           HH22     ARG  19 -12.490   4.732  -6.081
  140   2HH2  ARG  19           HH21     ARG  19 -14.068   4.196  -5.605
  141    H    LEU  20           HN       LEU  20  -7.667  -0.083  -3.084
  142    HA   LEU  20           HA       LEU  20  -8.228  -0.931  -5.816
  143   1HB   LEU  20           HB2      LEU  20  -5.892  -0.661  -5.341
  144   2HB   LEU  20           HB3      LEU  20  -6.014  -1.620  -3.851
  145    HG   LEU  20           HG       LEU  20  -6.559  -3.661  -5.201
  146   1HD1  LEU  20           HD13     LEU  20  -7.568  -2.623  -7.257
  147   2HD1  LEU  20           HD11     LEU  20  -5.969  -1.902  -7.679
  148   3HD1  LEU  20           HD12     LEU  20  -6.186  -3.693  -7.678
  149   1HD2  LEU  20           HD22     LEU  20  -4.258  -3.294  -4.523
  150   2HD2  LEU  20           HD23     LEU  20  -4.310  -4.064  -6.149
  151   3HD2  LEU  20           HD21     LEU  20  -3.932  -2.307  -6.005
  152    H    HIS  21           HN       HIS  21  -8.203  -2.268  -2.391
  153    HA   HIS  21           HA       HIS  21 -10.222  -4.215  -3.242
  154   1HB   HIS  21           HB2      HIS  21  -9.193  -5.725  -1.367
  155   2HB   HIS  21           HB3      HIS  21  -8.583  -5.714  -3.035
  156    HD1  HIS  21           HD1      HIS  21  -7.087  -6.756  -0.530
  157    HD2  HIS  21           HD2      HIS  21  -6.171  -3.289  -2.712
  158    HE1  HIS  21           HE1      HIS  21  -4.567  -6.347  -0.422
  159    H    ASN  22           HN       ASN  22  -9.324  -4.247   0.038
  160    HA   ASN  22           HA       ASN  22 -10.979  -2.267   1.080
  161   1HB   ASN  22           HB2      ASN  22 -12.963  -3.724   1.899
  162   2HB   ASN  22           HB3      ASN  22 -12.981  -3.188   0.208
  163   1HD2  ASN  22           HD22     ASN  22 -12.740  -7.244   1.053
  164   2HD2  ASN  22           HD21     ASN  22 -12.480  -6.072   2.301
  165    H    THR  23           HN       THR  23  -8.556  -2.706   1.906
  166    HA   THR  23           HA       THR  23  -8.893  -4.085   4.439
  167    HB   THR  23           HB       THR  23  -8.164  -5.850   2.810
  168    HG1  THR  23           HG1      THR  23  -7.889  -5.940   5.025
  169   1HG2  THR  23           HG21     THR  23  -6.530  -4.523   1.447
  170   2HG2  THR  23           HG22     THR  23  -5.443  -4.381   2.895
  171   3HG2  THR  23           HG23     THR  23  -5.795  -5.995   2.199
  172    H    SER  24           HN       SER  24  -6.604  -3.892   5.653
  173    HA   SER  24           HA       SER  24  -5.734  -1.134   5.565
  174   1HB   SER  24           HB2      SER  24  -6.506  -0.668   7.913
  175   2HB   SER  24           HB3      SER  24  -7.815  -0.758   6.700
  176    HG   SER  24           HG       SER  24  -7.127  -2.611   8.699
  177    H    ARG  25           HN       ARG  25  -4.525  -3.758   5.042
  178    HA   ARG  25           HA       ARG  25  -2.350  -3.349   6.902
  179   1HB   ARG  25           HB2      ARG  25  -1.694  -5.817   6.695
  180   2HB   ARG  25           HB3      ARG  25  -2.864  -5.328   7.939
  181   1HG   ARG  25           HG2      ARG  25  -3.957  -6.344   5.282
  182   2HG   ARG  25           HG3      ARG  25  -3.248  -7.489   6.474
  183   1HD   ARG  25           HD2      ARG  25  -4.751  -6.687   8.265
  184   2HD   ARG  25           HD3      ARG  25  -5.495  -5.496   7.127
  185    HE   ARG  25           HE       ARG  25  -6.123  -7.467   5.643
  186   1HH1  ARG  25           HH12     ARG  25  -5.754  -7.981   9.171
  187   2HH1  ARG  25           HH11     ARG  25  -6.864  -9.312   9.223
  188   1HH2  ARG  25           HH22     ARG  25  -7.597  -9.262   5.750
  189   2HH2  ARG  25           HH21     ARG  25  -7.918 -10.047   7.262
  190    H    GLY  26           HN       GLY  26  -0.807  -2.644   5.669
  191   1HA   GLY  26           HA1      GLY  26   0.144  -3.551   3.289
  192   2HA   GLY  26           HA2      GLY  26  -1.122  -2.302   2.912
  193    H    LYS  27           HN       LYS  27   2.047  -2.474   2.901
  194    HA   LYS  27           HA       LYS  27   2.602   0.113   4.066
  195   1HB   LYS  27           HB2      LYS  27   3.633  -0.711   5.918
  196   2HB   LYS  27           HB3      LYS  27   3.172  -2.372   5.455
  197   1HG   LYS  27           HG2      LYS  27   5.296  -2.605   4.139
  198   2HG   LYS  27           HG3      LYS  27   5.801  -0.966   4.686
  199   1HD   LYS  27           HD2      LYS  27   5.175  -3.333   6.557
  200   2HD   LYS  27           HD3      LYS  27   6.805  -2.932   5.913
  201   1HE   LYS  27           HE2      LYS  27   6.708  -0.673   7.023
  202   2HE   LYS  27           HE3      LYS  27   5.104  -1.106   7.745
  203   1HZ   LYS  27           HZ2      LYS  27   7.667  -2.557   8.163
  204   2HZ   LYS  27           HZ3      LYS  27   6.923  -1.487   9.252
  205   3HZ   LYS  27           HZ1      LYS  27   6.166  -2.955   8.851
  206    H    CYS  28           HN       CYS  28   4.717   0.852   3.099
  207    HA   CYS  28           HA       CYS  28   5.167  -0.389   0.451
  208   1HB   CYS  28           HB2      CYS  28   5.908   1.877  -0.292
  209   2HB   CYS  28           HB3      CYS  28   4.239   1.826   0.311
  210    H    MET  29           HN       MET  29   7.392   0.140  -0.426
  211    HA   MET  29           HA       MET  29   9.410  -0.712   1.487
  212   1HB   MET  29           HB2      MET  29   8.759  -1.930  -0.725
  213   2HB   MET  29           HB3      MET  29   9.756  -0.704  -1.539
  214   1HG   MET  29           HG2      MET  29  11.652  -1.410   0.115
  215   2HG   MET  29           HG3      MET  29  10.519  -2.665   0.721
  216   1HE   MET  29           HE2      MET  29  12.082  -4.561   0.401
  217   2HE   MET  29           HE3      MET  29  13.083  -4.879  -1.056
  218   3HE   MET  29           HE1      MET  29  13.350  -3.387  -0.091
  219    H    ASN  30           HN       ASN  30  11.002   0.621  -1.071
  220    HA   ASN  30           HA       ASN  30  11.653   3.032   0.353
  221   1HB   ASN  30           HB2      ASN  30  13.464   3.332  -1.306
  222   2HB   ASN  30           HB3      ASN  30  13.500   1.784  -0.418
  223   1HD2  ASN  30           HD22     ASN  30  14.424   1.074  -3.944
  224   2HD2  ASN  30           HD21     ASN  30  15.019   2.079  -2.663
  225    H    LYS  31           HN       LYS  31   9.898   2.256  -2.610
  226    HA   LYS  31           HA       LYS  31   9.634   5.139  -3.252
  227   1HB   LYS  31           HB2      LYS  31  10.451   2.818  -5.067
  228   2HB   LYS  31           HB3      LYS  31   9.987   4.441  -5.681
  229   1HG   LYS  31           HG2      LYS  31  11.830   5.524  -4.549
  230   2HG   LYS  31           HG3      LYS  31  12.328   3.989  -3.760
  231   1HD   LYS  31           HD2      LYS  31  12.743   2.951  -5.991
  232   2HD   LYS  31           HD3      LYS  31  12.351   4.521  -6.785
  233   1HE   LYS  31           HE2      LYS  31  14.276   5.615  -5.601
  234   2HE   LYS  31           HE3      LYS  31  14.629   4.070  -4.725
  235   1HZ   LYS  31           HZ1      LYS  31  15.049   3.026  -6.843
  236   2HZ   LYS  31           HZ2      LYS  31  14.734   4.477  -7.668
  237   3HZ   LYS  31           HZ3      LYS  31  16.056   4.373  -6.606
  238    H    LYS  32           HN       LYS  32   7.794   2.016  -3.074
  239    HA   LYS  32           HA       LYS  32   5.655   3.325  -4.558
  240   1HB   LYS  32           HB2      LYS  32   5.333   1.643  -6.163
  241   2HB   LYS  32           HB3      LYS  32   7.002   2.238  -6.314
  242   1HG   LYS  32           HG2      LYS  32   7.358   0.035  -6.602
  243   2HG   LYS  32           HG3      LYS  32   7.616   0.136  -4.814
  244   1HD   LYS  32           HD2      LYS  32   5.298  -0.816  -4.496
  245   2HD   LYS  32           HD3      LYS  32   5.012  -0.722  -6.269
  246   1HE   LYS  32           HE2      LYS  32   6.790  -2.460  -6.640
  247   2HE   LYS  32           HE3      LYS  32   7.094  -2.529  -4.854
  248   1HZ   LYS  32           HZ2      LYS  32   4.527  -3.150  -6.221
  249   2HZ   LYS  32           HZ3      LYS  32   5.636  -4.273  -5.594
  250   3HZ   LYS  32           HZ1      LYS  32   4.814  -3.217  -4.548
  251   1HN   ABA  33           HN       ABA  33   3.589   2.352  -4.198
  252    HA   ABA  33           HA       ABA  33   3.328   1.473  -1.504
  253   1HB   ABA  33           HB3      ABA  33   1.358   2.166  -3.736
  254   2HB   ABA  33           HB2      ABA  33   2.036   3.269  -2.499
  255   1HG   ABA  33           HG1      ABA  33   0.098   0.951  -1.967
  256   2HG   ABA  33           HG2      ABA  33   1.163   1.703  -0.730
  257   3HG   ABA  33           HG3      ABA  33  -0.062   2.719  -1.595
  258    H    ARG  34           HN       ARG  34   2.579  -0.525  -0.760
  259    HA   ARG  34           HA       ARG  34   1.941  -2.608  -2.715
  260   1HB   ARG  34           HB2      ARG  34   4.454  -2.578  -1.928
  261   2HB   ARG  34           HB3      ARG  34   3.837  -3.209  -0.376
  262   1HG   ARG  34           HG2      ARG  34   2.904  -5.198  -1.580
  263   2HG   ARG  34           HG3      ARG  34   3.306  -4.434  -3.161
  264   1HD   ARG  34           HD2      ARG  34   5.763  -4.499  -2.540
  265   2HD   ARG  34           HD3      ARG  34   5.339  -5.370  -1.017
  266    HE   ARG  34           HE       ARG  34   4.919  -6.348  -3.881
  267   1HH1  ARG  34           HH12     ARG  34   5.237  -7.150  -0.407
  268   2HH1  ARG  34           HH11     ARG  34   5.301  -8.859  -0.685
  269   1HH2  ARG  34           HH22     ARG  34   5.009  -8.627  -4.215
  270   2HH2  ARG  34           HH21     ARG  34   5.169  -9.707  -2.870
  271    H    CYS  35           HN       CYS  35   1.193  -4.606  -1.057
  272    HA   CYS  35           HA       CYS  35  -0.315  -3.558   1.116
  273   1HB   CYS  35           HB2      CYS  35  -1.761  -3.278  -1.100
  274   2HB   CYS  35           HB3      CYS  35  -1.960  -5.044  -0.991
  275    H    TYR  36           HN       TYR  36  -1.223  -5.429   2.322
  276    HA   TYR  36           HA       TYR  36   0.388  -7.869   2.040
  277   1HB   TYR  36           HB2      TYR  36   0.553  -5.605   4.096
  278   2HB   TYR  36           HB3      TYR  36   0.982  -7.275   4.651
  279    HD1  TYR  36           HD1      TYR  36   2.554  -8.506   2.678
  280    HD2  TYR  36           HD2      TYR  36   2.367  -4.326   3.623
  281    HE1  TYR  36           HE1      TYR  36   4.821  -8.190   1.741
  282    HE2  TYR  36           HE2      TYR  36   4.605  -3.991   2.658
  283    HH   TYR  36           HH       TYR  36   6.357  -4.938   1.618
  284    H    SER  37           HN       SER  37  -1.991  -8.151   1.373
  285    HA   SER  37           HA       SER  37  -3.934  -8.193   3.494
  286   1HB   SER  37           HB2      SER  37  -4.495  -7.558   1.122
  287   2HB   SER  37           HB3      SER  37  -4.125  -9.244   0.609
  288    HG   SER  37           HG       SER  37  -5.758  -9.917   2.053
   
  No H/Q in entry =         288
  Start of MODEL   19
    1    HA   PCA   1           HA       PGL   1  -1.279  -8.992  -7.600
    2   1HB   PCA   1           HB2      PGL   1  -2.524  -6.418  -8.759
    3   2HB   PCA   1           HB3      PGL   1  -1.386  -7.575  -9.560
    4   1HG   PCA   1           HG2      PGL   1  -4.155  -7.590  -9.977
    5   2HG   PCA   1           HG3      PGL   1  -3.192  -9.144  -9.961
    6    HN   PCA   1           HN       PGL   1  -3.386  -8.861  -6.104
    7    H    PHE   2           HN       PHE   2  -0.046  -6.427  -7.866
    8    HA   PHE   2           HA       PHE   2  -0.005  -5.346  -5.124
    9   1HB   PHE   2           HB2      PHE   2   2.197  -5.351  -7.301
   10   2HB   PHE   2           HB3      PHE   2   2.375  -4.687  -5.637
   11    HD1  PHE   2           HD1      PHE   2   1.413  -6.607  -3.777
   12    HD2  PHE   2           HD2      PHE   2   3.395  -7.289  -7.538
   13    HE1  PHE   2           HE1      PHE   2   2.201  -8.802  -2.971
   14    HE2  PHE   2           HE2      PHE   2   4.192  -9.478  -6.714
   15    HZ   PHE   2           HZ       PHE   2   3.582 -10.248  -4.437
   16    H    THR   3           HN       THR   3   0.570  -2.962  -5.109
   17    HA   THR   3           HA       THR   3  -0.840  -1.434  -7.140
   18    HB   THR   3           HB       THR   3  -0.301   0.406  -5.270
   19    HG1  THR   3           HG1      THR   3   0.698  -0.467  -3.716
   20   1HG2  THR   3           HG21     THR   3  -2.373  -1.832  -4.870
   21   2HG2  THR   3           HG22     THR   3  -2.390  -0.191  -4.115
   22   3HG2  THR   3           HG23     THR   3  -2.558  -0.357  -5.904
   23    H    ASN   4           HN       ASN   4   0.184   0.594  -7.916
   24    HA   ASN   4           HA       ASN   4   3.103   0.572  -8.012
   25   1HB   ASN   4           HB2      ASN   4   3.024   0.935 -10.511
   26   2HB   ASN   4           HB3      ASN   4   2.617  -0.714  -9.961
   27   1HD2  ASN   4           HD22     ASN   4   0.240  -0.253 -12.635
   28   2HD2  ASN   4           HD21     ASN   4   1.903  -0.633 -12.330
   29    H    VAL   5           HN       VAL   5   1.892   2.116  -6.308
   30    HA   VAL   5           HA       VAL   5   1.673   4.807  -7.483
   31    HB   VAL   5           HB       VAL   5   1.148   4.111  -4.562
   32   1HG1  VAL   5           HG11     VAL   5  -0.010   6.176  -6.579
   33   2HG1  VAL   5           HG12     VAL   5  -0.535   5.981  -4.868
   34   3HG1  VAL   5           HG13     VAL   5   1.119   6.563  -5.229
   35   1HG2  VAL   5           HG22     VAL   5  -0.716   3.571  -6.943
   36   2HG2  VAL   5           HG23     VAL   5  -0.139   2.421  -5.666
   37   3HG2  VAL   5           HG21     VAL   5  -1.251   3.757  -5.236
   38    H    SER   6           HN       SER   6   2.699   6.297  -5.362
   39    HA   SER   6           HA       SER   6   5.454   5.328  -4.940
   40   1HB   SER   6           HB2      SER   6   6.132   7.782  -4.745
   41   2HB   SER   6           HB3      SER   6   5.751   7.147  -6.369
   42    HG   SER   6           HG       SER   6   4.818   9.154  -5.992
   43    H    CYS   7           HN       CYS   7   6.129   5.097  -2.940
   44    HA   CYS   7           HA       CYS   7   4.635   6.410  -0.712
   45   1HB   CYS   7           HB2      CYS   7   3.363   4.522  -0.956
   46   2HB   CYS   7           HB3      CYS   7   4.742   3.427  -1.051
   47    H    THR   8           HN       THR   8   5.776   6.642   1.124
   48    HA   THR   8           HA       THR   8   8.557   5.719   1.311
   49    HB   THR   8           HB       THR   8   9.162   7.919   2.446
   50    HG1  THR   8           HG1      THR   8   7.944   9.677   1.761
   51   1HG2  THR   8           HG22     THR   8   9.945   7.217   0.169
   52   2HG2  THR   8           HG23     THR   8   8.496   7.993  -0.570
   53   3HG2  THR   8           HG21     THR   8   9.711   8.997   0.304
   54    H    THR   9           HN       THR   9   5.600   6.984   2.960
   55    HA   THR   9           HA       THR   9   6.433   5.692   5.477
   56    HB   THR   9           HB       THR   9   4.679   7.212   6.524
   57    HG1  THR   9           HG1      THR   9   3.713   7.753   4.464
   58   1HG2  THR   9           HG22     THR   9   7.133   7.595   6.673
   59   2HG2  THR   9           HG23     THR   9   7.105   8.503   5.109
   60   3HG2  THR   9           HG21     THR   9   6.223   9.150   6.547
   61    H    SER  10           HN       SER  10   5.142   4.205   6.465
   62    HA   SER  10           HA       SER  10   2.963   3.010   4.981
   63   1HB   SER  10           HB2      SER  10   4.761   1.593   5.918
   64   2HB   SER  10           HB3      SER  10   4.373   2.158   7.580
   65    HG   SER  10           HG       SER  10   2.690   0.728   5.785
   66    H    LYS  11           HN       LYS  11   1.571   4.869   5.137
   67    HA   LYS  11           HA       LYS  11  -0.408   4.728   7.043
   68   1HB   LYS  11           HB2      LYS  11   1.212   5.993   8.534
   69   2HB   LYS  11           HB3      LYS  11   1.397   7.238   7.271
   70   1HG   LYS  11           HG2      LYS  11  -0.055   7.935   9.133
   71   2HG   LYS  11           HG3      LYS  11  -0.967   7.935   7.585
   72   1HD   LYS  11           HD2      LYS  11  -2.091   5.814   8.194
   73   2HD   LYS  11           HD3      LYS  11  -1.088   5.661   9.677
   74   1HE   LYS  11           HE2      LYS  11  -3.100   7.959   9.128
   75   2HE   LYS  11           HE3      LYS  11  -3.436   6.493  10.134
   76   1HZ   LYS  11           HZ2      LYS  11  -1.319   8.513  10.670
   77   2HZ   LYS  11           HZ3      LYS  11  -2.816   8.372  11.459
   78   3HZ   LYS  11           HZ1      LYS  11  -1.662   7.135  11.601
   79    H    GLU  12           HN       GLU  12   1.474   6.704   4.694
   80    HA   GLU  12           HA       GLU  12  -0.172   8.369   3.569
   81   1HB   GLU  12           HB2      GLU  12   2.327   7.808   3.337
   82   2HB   GLU  12           HB3      GLU  12   1.913   6.642   2.087
   83   1HG   GLU  12           HG2      GLU  12   0.609   9.175   1.382
   84   2HG   GLU  12           HG3      GLU  12   2.240   9.575   2.027
   85   1HN   ABA  13           HN       ABA  13   0.108   4.971   2.550
   86    HA   ABA  13           HA       ABA  13  -1.653   5.330   0.199
   87   1HB   ABA  13           HB3      ABA  13   0.642   4.939  -0.364
   88   2HB   ABA  13           HB2      ABA  13  -0.309   3.493  -0.737
   89   1HG   ABA  13           HG1      ABA  13   0.635   2.391   1.377
   90   2HG   ABA  13           HG2      ABA  13   1.917   3.005   0.263
   91   3HG   ABA  13           HG3      ABA  13   1.517   3.934   1.735
   92    H    TRP  14           HN       TRP  14  -2.570   4.735   3.010
   93    HA   TRP  14           HA       TRP  14  -3.324   1.948   3.013
   94   1HB   TRP  14           HB2      TRP  14  -3.545   4.221   5.046
   95   2HB   TRP  14           HB3      TRP  14  -4.333   2.636   5.329
   96    HD1  TRP  14           HD1      TRP  14  -0.699   2.803   3.786
   97    HE1  TRP  14           HE1      TRP  14   0.742   1.368   5.258
   98    HE3  TRP  14           HE3      TRP  14  -3.967   2.199   7.678
   99    HZ2  TRP  14           HZ2      TRP  14   0.575   0.108   7.830
  100    HZ3  TRP  14           HZ3      TRP  14  -3.272   0.807   9.600
  101    HH2  TRP  14           HH2      TRP  14  -1.046  -0.282   9.625
  102    H    SER  15           HN       SER  15  -4.863   4.960   2.011
  103    HA   SER  15           HA       SER  15  -7.524   3.826   2.028
  104   1HB   SER  15           HB2      SER  15  -8.198   6.090   1.151
  105   2HB   SER  15           HB3      SER  15  -7.380   6.123   2.747
  106    HG   SER  15           HG       SER  15  -6.128   6.638   0.260
  107    H    VAL  16           HN       VAL  16  -4.783   3.450   0.192
  108    HA   VAL  16           HA       VAL  16  -6.119   3.369  -2.407
  109    HB   VAL  16           HB       VAL  16  -3.182   2.879  -1.698
  110   1HG1  VAL  16           HG13     VAL  16  -4.669   3.264  -4.395
  111   2HG1  VAL  16           HG11     VAL  16  -2.884   3.289  -4.170
  112   3HG1  VAL  16           HG12     VAL  16  -3.789   1.780  -3.856
  113   1HG2  VAL  16           HG22     VAL  16  -4.657   5.391  -2.726
  114   2HG2  VAL  16           HG23     VAL  16  -3.821   5.205  -1.136
  115   3HG2  VAL  16           HG21     VAL  16  -2.868   5.179  -2.657
  116    H    CYS  17           HN       CYS  17  -4.497   1.207   0.013
  117    HA   CYS  17           HA       CYS  17  -5.165  -1.199  -1.425
  118   1HB   CYS  17           HB2      CYS  17  -3.636  -0.464   1.079
  119   2HB   CYS  17           HB3      CYS  17  -4.232  -2.145   0.972
  120    H    GLN  18           HN       GLN  18  -7.072   0.836   0.524
  121    HA   GLN  18           HA       GLN  18  -8.731  -1.226   1.650
  122   1HB   GLN  18           HB2      GLN  18  -8.163   0.756   2.938
  123   2HB   GLN  18           HB3      GLN  18  -8.750   1.849   1.643
  124   1HG   GLN  18           HG2      GLN  18 -11.073   1.165   2.033
  125   2HG   GLN  18           HG3      GLN  18 -10.534  -0.174   3.122
  126   1HE2  GLN  18           HE22     GLN  18 -11.487   2.266   5.626
  127   2HE2  GLN  18           HE21     GLN  18 -12.077   0.953   4.661
  128    H    ARG  19           HN       ARG  19  -8.811   1.326  -0.886
  129    HA   ARG  19           HA       ARG  19 -11.513   0.716  -1.665
  130   1HB   ARG  19           HB2      ARG  19  -9.593   2.863  -2.617
  131   2HB   ARG  19           HB3      ARG  19 -11.323   2.678  -3.106
  132   1HG   ARG  19           HG2      ARG  19 -11.951   2.722  -0.645
  133   2HG   ARG  19           HG3      ARG  19 -10.280   3.244  -0.262
  134   1HD   ARG  19           HD2      ARG  19 -12.233   4.672  -2.180
  135   2HD   ARG  19           HD3      ARG  19 -11.947   5.129  -0.435
  136    HE   ARG  19           HE       ARG  19  -9.421   5.067  -1.862
  137   1HH1  ARG  19           HH22     ARG  19 -12.405   7.029  -1.617
  138   2HH1  ARG  19           HH21     ARG  19 -11.616   8.515  -2.028
  139   1HH2  ARG  19           HH12     ARG  19  -8.387   7.095  -2.408
  140   2HH2  ARG  19           HH11     ARG  19  -9.319   8.552  -2.478
  141    H    LEU  20           HN       LEU  20  -8.364  -0.447  -2.655
  142    HA   LEU  20           HA       LEU  20  -9.186  -1.142  -5.345
  143   1HB   LEU  20           HB2      LEU  20  -6.903  -0.295  -4.991
  144   2HB   LEU  20           HB3      LEU  20  -6.592  -1.568  -3.776
  145    HG   LEU  20           HG       LEU  20  -6.782  -3.313  -5.512
  146   1HD1  LEU  20           HD13     LEU  20  -7.126  -1.014  -7.553
  147   2HD1  LEU  20           HD11     LEU  20  -6.818  -2.744  -7.957
  148   3HD1  LEU  20           HD12     LEU  20  -8.356  -2.274  -7.152
  149   1HD2  LEU  20           HD21     LEU  20  -4.585  -2.296  -4.980
  150   2HD2  LEU  20           HD22     LEU  20  -4.663  -2.838  -6.697
  151   3HD2  LEU  20           HD23     LEU  20  -4.813  -1.085  -6.300
  152    H    HIS  21           HN       HIS  21  -8.297  -2.699  -2.154
  153    HA   HIS  21           HA       HIS  21  -9.334  -5.272  -3.113
  154   1HB   HIS  21           HB2      HIS  21  -7.228  -4.576  -0.991
  155   2HB   HIS  21           HB3      HIS  21  -7.852  -6.236  -1.313
  156    HD1  HIS  21           HD1      HIS  21  -7.205  -7.271  -3.709
  157    HD2  HIS  21           HD2      HIS  21  -5.286  -3.653  -2.808
  158    HE1  HIS  21           HE1      HIS  21  -5.212  -7.011  -5.289
  159    H    ASN  22           HN       ASN  22  -8.777  -5.023   0.204
  160    HA   ASN  22           HA       ASN  22 -11.229  -4.086   1.173
  161   1HB   ASN  22           HB2      ASN  22 -12.341  -6.359   1.756
  162   2HB   ASN  22           HB3      ASN  22 -12.497  -5.769   0.089
  163   1HD2  ASN  22           HD22     ASN  22 -11.171  -8.657  -1.400
  164   2HD2  ASN  22           HD21     ASN  22 -12.083  -7.190  -1.534
  165    H    THR  23           HN       THR  23  -8.902  -3.426   2.146
  166    HA   THR  23           HA       THR  23  -8.956  -4.716   4.724
  167    HB   THR  23           HB       THR  23  -7.275  -6.033   3.408
  168    HG1  THR  23           HG1      THR  23  -7.282  -5.865   5.613
  169   1HG2  THR  23           HG23     THR  23  -6.275  -4.249   1.995
  170   2HG2  THR  23           HG21     THR  23  -5.553  -3.465   3.452
  171   3HG2  THR  23           HG22     THR  23  -5.039  -5.115   2.964
  172    H    SER  24           HN       SER  24  -6.589  -3.031   5.598
  173    HA   SER  24           HA       SER  24  -7.327  -0.368   4.727
  174   1HB   SER  24           HB2      SER  24  -7.594   0.568   7.050
  175   2HB   SER  24           HB3      SER  24  -8.943  -0.484   6.516
  176    HG   SER  24           HG       SER  24  -8.292  -0.929   8.614
  177    H    ARG  25           HN       ARG  25  -4.968  -2.645   5.381
  178    HA   ARG  25           HA       ARG  25  -3.017  -0.604   6.100
  179   1HB   ARG  25           HB2      ARG  25  -1.688  -2.026   7.353
  180   2HB   ARG  25           HB3      ARG  25  -3.349  -2.101   7.993
  181   1HG   ARG  25           HG2      ARG  25  -1.962  -4.259   6.276
  182   2HG   ARG  25           HG3      ARG  25  -2.222  -4.273   8.053
  183   1HD   ARG  25           HD2      ARG  25  -4.748  -4.199   7.642
  184   2HD   ARG  25           HD3      ARG  25  -4.383  -4.244   5.877
  185    HE   ARG  25           HE       ARG  25  -3.763  -6.509   5.989
  186   1HH1  ARG  25           HH12     ARG  25  -4.308  -5.296   9.310
  187   2HH1  ARG  25           HH11     ARG  25  -4.339  -6.876  10.022
  188   1HH2  ARG  25           HH22     ARG  25  -3.815  -8.614   6.966
  189   2HH2  ARG  25           HH21     ARG  25  -4.056  -8.784   8.673
  190    H    GLY  26           HN       GLY  26  -0.784  -2.116   5.623
  191   1HA   GLY  26           HA1      GLY  26  -0.153  -3.126   3.305
  192   2HA   GLY  26           HA2      GLY  26  -0.574  -1.414   2.850
  193    H    LYS  27           HN       LYS  27   2.055  -2.201   2.608
  194    HA   LYS  27           HA       LYS  27   3.307  -0.296   4.365
  195   1HB   LYS  27           HB2      LYS  27   4.613  -3.075   3.919
  196   2HB   LYS  27           HB3      LYS  27   5.332  -1.657   4.752
  197   1HG   LYS  27           HG2      LYS  27   3.528  -1.895   6.548
  198   2HG   LYS  27           HG3      LYS  27   2.936  -3.341   5.658
  199   1HD   LYS  27           HD2      LYS  27   4.180  -4.312   7.311
  200   2HD   LYS  27           HD3      LYS  27   5.352  -4.313   5.955
  201   1HE   LYS  27           HE2      LYS  27   5.246  -2.249   8.284
  202   2HE   LYS  27           HE3      LYS  27   6.345  -3.681   8.214
  203   1HZ   LYS  27           HZ2      LYS  27   6.326  -1.433   6.277
  204   2HZ   LYS  27           HZ3      LYS  27   7.424  -1.657   7.554
  205   3HZ   LYS  27           HZ1      LYS  27   7.372  -2.770   6.272
  206    H    CYS  28           HN       CYS  28   5.493   0.202   3.206
  207    HA   CYS  28           HA       CYS  28   5.434  -0.577   0.359
  208   1HB   CYS  28           HB2      CYS  28   6.024   1.823  -0.234
  209   2HB   CYS  28           HB3      CYS  28   4.373   1.536   0.372
  210    H    MET  29           HN       MET  29   7.569   0.231  -0.666
  211    HA   MET  29           HA       MET  29   9.643  -1.088   0.887
  212   1HB   MET  29           HB2      MET  29   8.540  -1.820  -1.401
  213   2HB   MET  29           HB3      MET  29   9.752  -0.721  -2.120
  214   1HG   MET  29           HG2      MET  29  10.117  -3.190  -0.301
  215   2HG   MET  29           HG3      MET  29  10.442  -3.084  -2.054
  216   1HE   MET  29           HE3      MET  29  12.570  -4.514  -0.977
  217   2HE   MET  29           HE1      MET  29  12.749  -3.672  -2.558
  218   3HE   MET  29           HE2      MET  29  14.079  -3.609  -1.353
  219    H    ASN  30           HN       ASN  30  11.152   0.485  -1.598
  220    HA   ASN  30           HA       ASN  30  12.013   2.664   0.090
  221   1HB   ASN  30           HB2      ASN  30  13.710   3.156  -1.639
  222   2HB   ASN  30           HB3      ASN  30  13.772   1.495  -0.986
  223   1HD2  ASN  30           HD22     ASN  30  13.042  -0.171  -4.062
  224   2HD2  ASN  30           HD21     ASN  30  13.081  -0.313  -2.336
  225    H    LYS  31           HN       LYS  31  10.160   2.333  -2.906
  226    HA   LYS  31           HA       LYS  31   9.448   5.181  -2.863
  227   1HB   LYS  31           HB2      LYS  31  10.955   3.680  -5.057
  228   2HB   LYS  31           HB3      LYS  31  10.017   5.139  -5.469
  229   1HG   LYS  31           HG2      LYS  31  12.274   5.119  -3.435
  230   2HG   LYS  31           HG3      LYS  31  12.394   5.627  -5.160
  231   1HD   LYS  31           HD2      LYS  31  10.603   7.368  -4.709
  232   2HD   LYS  31           HD3      LYS  31  10.663   6.919  -2.966
  233   1HE   LYS  31           HE2      LYS  31  13.079   7.623  -2.857
  234   2HE   LYS  31           HE3      LYS  31  13.036   8.042  -4.620
  235   1HZ   LYS  31           HZ2      LYS  31  11.327   9.650  -4.146
  236   2HZ   LYS  31           HZ3      LYS  31  11.358   9.264  -2.491
  237   3HZ   LYS  31           HZ1      LYS  31  12.724   9.958  -3.228
  238    H    LYS  32           HN       LYS  32   8.021   2.100  -2.978
  239    HA   LYS  32           HA       LYS  32   5.853   3.277  -4.524
  240   1HB   LYS  32           HB2      LYS  32   5.546   1.632  -6.056
  241   2HB   LYS  32           HB3      LYS  32   7.257   2.112  -6.218
  242   1HG   LYS  32           HG2      LYS  32   7.909   0.057  -4.816
  243   2HG   LYS  32           HG3      LYS  32   6.183  -0.456  -4.907
  244   1HD   LYS  32           HD2      LYS  32   6.336  -0.296  -7.431
  245   2HD   LYS  32           HD3      LYS  32   8.092   0.037  -7.246
  246   1HE   LYS  32           HE2      LYS  32   7.756  -2.378  -7.782
  247   2HE   LYS  32           HE3      LYS  32   8.369  -2.224  -6.086
  248   1HZ   LYS  32           HZ3      LYS  32   5.530  -2.602  -6.904
  249   2HZ   LYS  32           HZ1      LYS  32   6.567  -3.786  -6.263
  250   3HZ   LYS  32           HZ2      LYS  32   6.101  -2.456  -5.311
  251   1HN   ABA  33           HN       ABA  33   3.832   2.322  -4.215
  252    HA   ABA  33           HA       ABA  33   3.345   1.441  -1.588
  253   1HB   ABA  33           HB3      ABA  33   1.539   1.754  -4.039
  254   2HB   ABA  33           HB2      ABA  33   1.932   2.997  -2.803
  255   1HG   ABA  33           HG1      ABA  33   0.884   1.595  -1.030
  256   2HG   ABA  33           HG2      ABA  33  -0.268   2.164  -2.300
  257   3HG   ABA  33           HG3      ABA  33   0.282   0.449  -2.250
  258    H    ARG  34           HN       ARG  34   2.775  -0.583  -0.840
  259    HA   ARG  34           HA       ARG  34   2.501  -2.829  -2.719
  260   1HB   ARG  34           HB2      ARG  34   4.745  -2.389  -1.090
  261   2HB   ARG  34           HB3      ARG  34   3.789  -3.512  -0.095
  262   1HG   ARG  34           HG2      ARG  34   3.764  -5.150  -1.974
  263   2HG   ARG  34           HG3      ARG  34   4.523  -3.928  -3.063
  264   1HD   ARG  34           HD2      ARG  34   6.554  -3.853  -1.578
  265   2HD   ARG  34           HD3      ARG  34   5.805  -5.114  -0.508
  266    HE   ARG  34           HE       ARG  34   5.793  -6.158  -3.174
  267   1HH1  ARG  34           HH12     ARG  34   8.189  -5.093  -0.756
  268   2HH1  ARG  34           HH11     ARG  34   9.382  -6.275  -1.206
  269   1HH2  ARG  34           HH22     ARG  34   7.426  -7.736  -3.787
  270   2HH2  ARG  34           HH21     ARG  34   8.941  -7.783  -2.937
  271    H    CYS  35           HN       CYS  35   1.497  -4.751  -1.146
  272    HA   CYS  35           HA       CYS  35  -0.688  -3.567   0.344
  273   1HB   CYS  35           HB2      CYS  35  -1.023  -3.733  -2.346
  274   2HB   CYS  35           HB3      CYS  35  -1.499  -5.400  -1.972
  275    H    TYR  36           HN       TYR  36  -1.461  -4.879   1.747
  276    HA   TYR  36           HA       TYR  36  -0.409  -7.610   2.084
  277   1HB   TYR  36           HB2      TYR  36   0.112  -5.180   3.905
  278   2HB   TYR  36           HB3      TYR  36   0.278  -6.877   4.520
  279    HD1  TYR  36           HD2      TYR  36   2.011  -8.387   3.396
  280    HD2  TYR  36           HD1      TYR  36   1.796  -4.175   2.660
  281    HE1  TYR  36           HE2      TYR  36   4.384  -8.385   2.684
  282    HE2  TYR  36           HE1      TYR  36   4.161  -4.134   2.002
  283    HH   TYR  36           HH       TYR  36   6.038  -5.358   1.671
  284    H    SER  37           HN       SER  37  -2.492  -8.348   1.840
  285    HA   SER  37           HA       SER  37  -4.569  -7.378   3.714
  286   1HB   SER  37           HB2      SER  37  -5.157  -7.085   1.317
  287   2HB   SER  37           HB3      SER  37  -4.858  -8.830   1.014
  288    HG   SER  37           HG       SER  37  -6.490  -9.264   2.555
   
  No H/Q in entry =         288
  Start of MODEL   20
    1    HA   PCA   1           HA       PGL   1  -4.102  -8.030  -4.105
    2   1HB   PCA   1           HB2      PGL   1  -1.687  -9.705  -5.012
    3   2HB   PCA   1           HB3      PGL   1  -2.959 -10.121  -3.799
    4   1HG   PCA   1           HG2      PGL   1  -2.931 -11.040  -6.460
    5   2HG   PCA   1           HG3      PGL   1  -4.483 -10.761  -5.545
    6    HN   PCA   1           HN       PGL   1  -3.878  -7.021  -6.457
    7    H    PHE   2           HN       PHE   2  -2.001  -6.502  -6.312
    8    HA   PHE   2           HA       PHE   2  -0.211  -5.405  -4.242
    9   1HB   PHE   2           HB2      PHE   2   0.373  -6.059  -7.219
   10   2HB   PHE   2           HB3      PHE   2   1.528  -5.283  -6.070
   11    HD1  PHE   2           HD2      PHE   2   2.010  -6.610  -3.851
   12    HD2  PHE   2           HD1      PHE   2   0.387  -8.382  -7.418
   13    HE1  PHE   2           HE2      PHE   2   2.755  -8.842  -3.087
   14    HE2  PHE   2           HE1      PHE   2   1.137 -10.610  -6.653
   15    HZ   PHE   2           HZ       PHE   2   2.320 -10.845  -4.484
   16    H    THR   3           HN       THR   3   0.569  -3.226  -4.792
   17    HA   THR   3           HA       THR   3  -1.118  -1.660  -6.620
   18    HB   THR   3           HB       THR   3  -0.650   0.273  -4.967
   19    HG1  THR   3           HG1      THR   3   0.163  -0.173  -3.153
   20   1HG2  THR   3           HG22     THR   3  -2.549  -2.044  -4.210
   21   2HG2  THR   3           HG23     THR   3  -2.576  -0.415  -3.460
   22   3HG2  THR   3           HG21     THR   3  -2.889  -0.587  -5.232
   23    H    ASN   4           HN       ASN   4   0.135   0.131  -7.597
   24    HA   ASN   4           HA       ASN   4   3.038  -0.068  -7.429
   25   1HB   ASN   4           HB2      ASN   4   3.197  -0.110  -9.963
   26   2HB   ASN   4           HB3      ASN   4   2.648  -1.637  -9.224
   27   1HD2  ASN   4           HD22     ASN   4   0.303   0.234 -12.007
   28   2HD2  ASN   4           HD21     ASN   4   1.862   0.831 -11.549
   29    H    VAL   5           HN       VAL   5   1.607   1.746  -6.136
   30    HA   VAL   5           HA       VAL   5   1.658   4.224  -7.692
   31    HB   VAL   5           HB       VAL   5   1.087   4.115  -4.704
   32   1HG1  VAL   5           HG11     VAL   5  -0.060   5.707  -7.112
   33   2HG1  VAL   5           HG12     VAL   5  -0.544   5.903  -5.387
   34   3HG1  VAL   5           HG13     VAL   5   1.115   6.349  -5.904
   35   1HG2  VAL   5           HG22     VAL   5  -0.779   3.087  -6.919
   36   2HG2  VAL   5           HG23     VAL   5  -0.184   2.231  -5.430
   37   3HG2  VAL   5           HG21     VAL   5  -1.312   3.621  -5.284
   38    H    SER   6           HN       SER   6   2.734   6.040  -5.928
   39    HA   SER   6           HA       SER   6   5.432   5.050  -5.233
   40   1HB   SER   6           HB2      SER   6   6.188   7.476  -5.447
   41   2HB   SER   6           HB3      SER   6   5.827   6.584  -6.949
   42    HG   SER   6           HG       SER   6   4.052   8.358  -5.626
   43    H    CYS   7           HN       CYS   7   6.018   5.155  -3.209
   44    HA   CYS   7           HA       CYS   7   4.148   6.415  -1.264
   45   1HB   CYS   7           HB2      CYS   7   4.599   4.889   0.350
   46   2HB   CYS   7           HB3      CYS   7   4.537   3.942  -1.118
   47    H    THR   8           HN       THR   8   5.181   7.190   0.775
   48    HA   THR   8           HA       THR   8   7.929   8.150   0.573
   49    HB   THR   8           HB       THR   8   7.226  10.237   1.900
   50    HG1  THR   8           HG1      THR   8   5.052   9.572   2.206
   51   1HG2  THR   8           HG23     THR   8   8.077  10.246  -0.458
   52   2HG2  THR   8           HG21     THR   8   6.392  10.049  -1.069
   53   3HG2  THR   8           HG22     THR   8   6.855  11.534  -0.158
   54    H    THR   9           HN       THR   9   4.977   7.667   2.582
   55    HA   THR   9           HA       THR   9   6.614   6.517   4.749
   56    HB   THR   9           HB       THR   9   4.784   7.348   6.295
   57    HG1  THR   9           HG1      THR   9   3.582   9.084   5.518
   58   1HG2  THR   9           HG22     THR   9   7.020   8.463   6.065
   59   2HG2  THR   9           HG23     THR   9   6.363   9.513   4.754
   60   3HG2  THR   9           HG21     THR   9   5.697   9.633   6.423
   61    H    SER  10           HN       SER  10   5.626   4.836   5.936
   62    HA   SER  10           HA       SER  10   3.526   3.278   4.639
   63   1HB   SER  10           HB2      SER  10   5.313   2.629   7.056
   64   2HB   SER  10           HB3      SER  10   4.068   1.532   6.333
   65    HG   SER  10           HG       SER  10   5.225   1.630   4.405
   66    H    LYS  11           HN       LYS  11   2.047   5.034   4.998
   67    HA   LYS  11           HA       LYS  11   0.338   4.731   7.208
   68   1HB   LYS  11           HB2      LYS  11   1.919   7.370   7.104
   69   2HB   LYS  11           HB3      LYS  11   0.237   7.306   7.745
   70   1HG   LYS  11           HG2      LYS  11   0.963   5.487   9.347
   71   2HG   LYS  11           HG3      LYS  11   2.666   5.906   8.944
   72   1HD   LYS  11           HD2      LYS  11   2.298   8.238   9.705
   73   2HD   LYS  11           HD3      LYS  11   0.551   7.891   9.980
   74   1HE   LYS  11           HE2      LYS  11   1.166   6.187  11.739
   75   2HE   LYS  11           HE3      LYS  11   2.914   6.597  11.508
   76   1HZ   LYS  11           HZ1      LYS  11   2.389   8.867  12.136
   77   2HZ   LYS  11           HZ2      LYS  11   0.760   8.453  12.373
   78   3HZ   LYS  11           HZ3      LYS  11   1.960   7.763  13.355
   79    H    GLU  12           HN       GLU  12   1.455   6.597   4.362
   80    HA   GLU  12           HA       GLU  12  -0.843   7.654   3.406
   81   1HB   GLU  12           HB2      GLU  12   1.777   7.761   2.967
   82   2HB   GLU  12           HB3      GLU  12   1.473   6.678   1.618
   83   1HG   GLU  12           HG2      GLU  12   0.072   9.414   2.068
   84   2HG   GLU  12           HG3      GLU  12   1.574   9.188   1.103
   85   1HN   ABA  13           HN       ABA  13   0.189   4.367   3.298
   86    HA   ABA  13           HA       ABA  13  -1.023   3.620   0.792
   87   1HB   ABA  13           HB3      ABA  13   0.178   1.546   1.081
   88   2HB   ABA  13           HB2      ABA  13   0.493   1.891   2.825
   89   1HG   ABA  13           HG1      ABA  13   1.611   3.617   0.516
   90   2HG   ABA  13           HG2      ABA  13   2.024   3.726   2.280
   91   3HG   ABA  13           HG3      ABA  13   2.447   2.249   1.329
   92    H    TRP  14           HN       TRP  14  -2.402   3.941   3.748
   93    HA   TRP  14           HA       TRP  14  -3.919   1.508   4.052
   94   1HB   TRP  14           HB2      TRP  14  -3.596   4.181   5.458
   95   2HB   TRP  14           HB3      TRP  14  -5.119   3.270   5.761
   96    HD1  TRP  14           HD1      TRP  14  -5.197   1.516   7.402
   97    HE1  TRP  14           HE1      TRP  14  -3.569  -0.064   8.540
   98    HE3  TRP  14           HE3      TRP  14  -0.873   3.020   5.173
   99    HZ2  TRP  14           HZ2      TRP  14  -0.740  -0.335   8.875
  100    HZ3  TRP  14           HZ3      TRP  14   1.230   1.922   5.807
  101    HH2  TRP  14           HH2      TRP  14   1.321   0.330   7.685
  102    H    SER  15           HN       SER  15  -4.453   4.697   2.477
  103    HA   SER  15           HA       SER  15  -7.247   4.124   1.964
  104   1HB   SER  15           HB2      SER  15  -7.221   6.431   0.924
  105   2HB   SER  15           HB3      SER  15  -6.760   6.383   2.656
  106    HG   SER  15           HG       SER  15  -5.412   7.692   1.412
  107    H    VAL  16           HN       VAL  16  -4.288   3.162   0.619
  108    HA   VAL  16           HA       VAL  16  -5.294   3.074  -2.130
  109    HB   VAL  16           HB       VAL  16  -2.553   2.188  -1.136
  110   1HG1  VAL  16           HG11     VAL  16  -3.381   1.428  -3.451
  111   2HG1  VAL  16           HG12     VAL  16  -3.634   3.152  -3.883
  112   3HG1  VAL  16           HG13     VAL  16  -1.975   2.539  -3.524
  113   1HG2  VAL  16           HG23     VAL  16  -3.487   4.984  -2.067
  114   2HG2  VAL  16           HG21     VAL  16  -2.816   4.557  -0.445
  115   3HG2  VAL  16           HG22     VAL  16  -1.772   4.457  -1.900
  116    H    CYS  17           HN       CYS  17  -4.696   0.941   0.741
  117    HA   CYS  17           HA       CYS  17  -5.225  -1.419  -0.796
  118   1HB   CYS  17           HB2      CYS  17  -4.841  -0.808   2.162
  119   2HB   CYS  17           HB3      CYS  17  -5.374  -2.434   1.643
  120    H    GLN  18           HN       GLN  18  -7.309   0.975   0.704
  121    HA   GLN  18           HA       GLN  18  -9.593  -0.808   0.969
  122   1HB   GLN  18           HB2      GLN  18  -9.349   2.216   1.402
  123   2HB   GLN  18           HB3      GLN  18 -10.831   1.214   1.711
  124   1HG   GLN  18           HG2      GLN  18  -9.687  -0.058   3.459
  125   2HG   GLN  18           HG3      GLN  18  -8.144   0.803   3.111
  126   1HE2  GLN  18           HE22     GLN  18 -11.317   2.898   4.913
  127   2HE2  GLN  18           HE21     GLN  18 -11.646   1.591   3.825
  128    H    ARG  19           HN       ARG  19  -8.359   1.760  -1.165
  129    HA   ARG  19           HA       ARG  19 -10.753   2.014  -2.713
  130   1HB   ARG  19           HB2      ARG  19  -9.891   3.823  -3.751
  131   2HB   ARG  19           HB3      ARG  19  -9.199   3.860  -2.110
  132   1HG   ARG  19           HG2      ARG  19  -7.306   4.409  -3.222
  133   2HG   ARG  19           HG3      ARG  19  -7.113   2.631  -3.290
  134   1HD   ARG  19           HD2      ARG  19  -6.615   3.650  -5.507
  135   2HD   ARG  19           HD3      ARG  19  -8.164   2.686  -5.615
  136    HE   ARG  19           HE       ARG  19  -8.876   5.357  -4.912
  137   1HH1  ARG  19           HH22     ARG  19  -7.429   3.651  -7.706
  138   2HH1  ARG  19           HH21     ARG  19  -8.167   4.686  -8.881
  139   1HH2  ARG  19           HH12     ARG  19  -9.857   6.722  -6.509
  140   2HH2  ARG  19           HH11     ARG  19  -9.567   6.451  -8.193
  141    H    LEU  20           HN       LEU  20  -8.028  -0.081  -2.903
  142    HA   LEU  20           HA       LEU  20  -8.501  -0.934  -5.644
  143   1HB   LEU  20           HB2      LEU  20  -6.358  -1.141  -3.584
  144   2HB   LEU  20           HB3      LEU  20  -6.586  -2.675  -4.475
  145    HG   LEU  20           HG       LEU  20  -4.865  -1.360  -5.405
  146   1HD1  LEU  20           HD12     LEU  20  -6.105  -2.921  -6.862
  147   2HD1  LEU  20           HD13     LEU  20  -7.233  -1.605  -7.361
  148   3HD1  LEU  20           HD11     LEU  20  -5.489  -1.513  -7.806
  149   1HD2  LEU  20           HD23     LEU  20  -5.683   0.967  -4.938
  150   2HD2  LEU  20           HD21     LEU  20  -5.181   0.755  -6.656
  151   3HD2  LEU  20           HD22     LEU  20  -6.929   0.781  -6.230
  152    H    HIS  21           HN       HIS  21  -8.127  -2.581  -2.462
  153    HA   HIS  21           HA       HIS  21  -9.961  -4.698  -3.282
  154   1HB   HIS  21           HB2      HIS  21  -7.841  -4.566  -1.052
  155   2HB   HIS  21           HB3      HIS  21  -8.780  -6.024  -1.553
  156    HD1  HIS  21           HD1      HIS  21  -8.219  -6.756  -4.196
  157    HD2  HIS  21           HD2      HIS  21  -5.538  -4.051  -2.435
  158    HE1  HIS  21           HE1      HIS  21  -6.095  -6.698  -5.617
  159    H    ASN  22           HN       ASN  22  -9.361  -4.542  -0.004
  160    HA   ASN  22           HA       ASN  22 -11.199  -2.777   1.040
  161   1HB   ASN  22           HB2      ASN  22 -13.108  -4.240   1.798
  162   2HB   ASN  22           HB3      ASN  22 -13.100  -3.915   0.051
  163   1HD2  ASN  22           HD22     ASN  22 -13.209  -7.755   1.350
  164   2HD2  ASN  22           HD21     ASN  22 -13.379  -6.380   2.392
  165    H    THR  23           HN       THR  23  -8.802  -3.009   1.873
  166    HA   THR  23           HA       THR  23  -8.976  -4.404   4.389
  167    HB   THR  23           HB       THR  23  -7.955  -6.031   2.635
  168    HG1  THR  23           HG1      THR  23  -6.587  -6.826   4.170
  169   1HG2  THR  23           HG22     THR  23  -6.274  -4.425   1.631
  170   2HG2  THR  23           HG23     THR  23  -5.414  -4.394   3.233
  171   3HG2  THR  23           HG21     THR  23  -5.535  -5.922   2.316
  172    H    SER  24           HN       SER  24  -6.672  -3.773   5.517
  173    HA   SER  24           HA       SER  24  -6.276  -0.878   4.986
  174   1HB   SER  24           HB2      SER  24  -6.717  -2.127   7.766
  175   2HB   SER  24           HB3      SER  24  -6.292  -0.401   7.408
  176    HG   SER  24           HG       SER  24  -8.470  -0.695   7.760
  177    H    ARG  25           HN       ARG  25  -4.976  -4.051   5.560
  178    HA   ARG  25           HA       ARG  25  -2.465  -3.087   6.662
  179   1HB   ARG  25           HB2      ARG  25  -2.099  -5.800   6.509
  180   2HB   ARG  25           HB3      ARG  25  -2.751  -4.919   7.907
  181   1HG   ARG  25           HG2      ARG  25  -4.668  -5.909   5.767
  182   2HG   ARG  25           HG3      ARG  25  -4.010  -7.044   6.983
  183   1HD   ARG  25           HD2      ARG  25  -5.072  -6.068   8.815
  184   2HD   ARG  25           HD3      ARG  25  -5.179  -4.431   8.043
  185    HE   ARG  25           HE       ARG  25  -6.740  -5.999   6.377
  186   1HH1  ARG  25           HH22     ARG  25  -6.790  -5.130   9.846
  187   2HH1  ARG  25           HH21     ARG  25  -8.515  -5.149   9.968
  188   1HH2  ARG  25           HH12     ARG  25  -9.055  -6.112   6.581
  189   2HH2  ARG  25           HH11     ARG  25  -9.824  -5.720   8.084
  190    H    GLY  26           HN       GLY  26  -0.921  -2.615   5.487
  191   1HA   GLY  26           HA1      GLY  26   0.151  -3.570   3.183
  192   2HA   GLY  26           HA2      GLY  26  -1.170  -2.415   2.707
  193    H    LYS  27           HN       LYS  27   1.983  -2.377   2.892
  194    HA   LYS  27           HA       LYS  27   2.310   0.142   4.354
  195   1HB   LYS  27           HB2      LYS  27   4.269  -2.249   4.405
  196   2HB   LYS  27           HB3      LYS  27   4.477  -0.646   5.205
  197   1HG   LYS  27           HG2      LYS  27   2.360  -1.203   6.568
  198   2HG   LYS  27           HG3      LYS  27   2.441  -2.850   5.854
  199   1HD   LYS  27           HD2      LYS  27   3.438  -2.982   8.016
  200   2HD   LYS  27           HD3      LYS  27   4.789  -3.082   6.833
  201   1HE   LYS  27           HE2      LYS  27   5.350  -0.657   7.287
  202   2HE   LYS  27           HE3      LYS  27   3.932  -0.545   8.408
  203   1HZ   LYS  27           HZ3      LYS  27   4.958  -2.228   9.778
  204   2HZ   LYS  27           HZ1      LYS  27   6.291  -2.326   8.729
  205   3HZ   LYS  27           HZ2      LYS  27   5.980  -0.887   9.577
  206    H    CYS  28           HN       CYS  28   5.273  -0.252   3.417
  207    HA   CYS  28           HA       CYS  28   5.005  -0.214   0.558
  208   1HB   CYS  28           HB2      CYS  28   4.781   2.137   0.247
  209   2HB   CYS  28           HB3      CYS  28   4.395   2.186   1.956
  210    H    MET  29           HN       MET  29   7.262   0.621  -0.340
  211    HA   MET  29           HA       MET  29   9.228  -1.062   1.036
  212   1HB   MET  29           HB2      MET  29   8.193  -1.680  -1.265
  213   2HB   MET  29           HB3      MET  29   9.181  -0.364  -1.943
  214   1HG   MET  29           HG2      MET  29  11.225  -1.563  -0.863
  215   2HG   MET  29           HG3      MET  29  10.090  -2.856  -0.354
  216   1HE   MET  29           HE1      MET  29  12.769  -3.220  -1.923
  217   2HE   MET  29           HE2      MET  29  11.686  -4.567  -1.433
  218   3HE   MET  29           HE3      MET  29  12.313  -4.485  -3.114
  219    H    ASN  30           HN       ASN  30  10.933   0.428  -1.217
  220    HA   ASN  30           HA       ASN  30  11.776   2.649   0.405
  221   1HB   ASN  30           HB2      ASN  30  13.608   2.952  -1.230
  222   2HB   ASN  30           HB3      ASN  30  13.532   1.331  -0.486
  223   1HD2  ASN  30           HD22     ASN  30  14.405   0.922  -4.083
  224   2HD2  ASN  30           HD21     ASN  30  15.059   1.781  -2.729
  225    H    LYS  31           HN       LYS  31  10.104   2.233  -2.697
  226    HA   LYS  31           HA       LYS  31   9.633   5.135  -2.900
  227   1HB   LYS  31           HB2      LYS  31  10.781   3.244  -5.044
  228   2HB   LYS  31           HB3      LYS  31  10.243   4.927  -5.361
  229   1HG   LYS  31           HG2      LYS  31  11.986   5.823  -3.861
  230   2HG   LYS  31           HG3      LYS  31  12.541   4.154  -3.494
  231   1HD   LYS  31           HD2      LYS  31  14.057   5.012  -5.121
  232   2HD   LYS  31           HD3      LYS  31  13.041   3.749  -5.891
  233   1HE   LYS  31           HE2      LYS  31  13.403   5.675  -7.439
  234   2HE   LYS  31           HE3      LYS  31  11.654   5.564  -7.006
  235   1HZ   LYS  31           HZ2      LYS  31  13.655   7.395  -5.787
  236   2HZ   LYS  31           HZ3      LYS  31  12.462   7.808  -6.923
  237   3HZ   LYS  31           HZ1      LYS  31  12.012   7.290  -5.369
  238    H    LYS  32           HN       LYS  32   7.945   2.173  -2.652
  239    HA   LYS  32           HA       LYS  32   5.909   3.140  -4.490
  240   1HB   LYS  32           HB2      LYS  32   5.610   1.242  -5.725
  241   2HB   LYS  32           HB3      LYS  32   7.341   1.662  -5.878
  242   1HG   LYS  32           HG2      LYS  32   7.862  -0.113  -4.086
  243   2HG   LYS  32           HG3      LYS  32   6.133  -0.628  -4.209
  244   1HD   LYS  32           HD2      LYS  32   6.430  -0.946  -6.667
  245   2HD   LYS  32           HD3      LYS  32   8.178  -0.556  -6.483
  246   1HE   LYS  32           HE2      LYS  32   8.447  -2.543  -4.924
  247   2HE   LYS  32           HE3      LYS  32   6.691  -2.932  -5.133
  248   1HZ   LYS  32           HZ2      LYS  32   7.100  -3.234  -7.482
  249   2HZ   LYS  32           HZ3      LYS  32   8.748  -2.878  -7.279
  250   3HZ   LYS  32           HZ1      LYS  32   8.079  -4.256  -6.544
  251   1HN   ABA  33           HN       ABA  33   3.829   2.126  -4.147
  252    HA   ABA  33           HA       ABA  33   3.351   1.577  -1.354
  253   1HB   ABA  33           HB3      ABA  33   1.552   2.087  -3.794
  254   2HB   ABA  33           HB2      ABA  33   2.116   3.295  -2.579
  255   1HG   ABA  33           HG1      ABA  33  -0.126   2.776  -1.984
  256   2HG   ABA  33           HG2      ABA  33   0.171   0.990  -1.996
  257   3HG   ABA  33           HG3      ABA  33   1.002   2.033  -0.788
  258    H    ARG  34           HN       ARG  34   2.396  -0.340  -0.607
  259    HA   ARG  34           HA       ARG  34   2.199  -2.624  -2.438
  260   1HB   ARG  34           HB2      ARG  34   4.407  -2.149  -0.674
  261   2HB   ARG  34           HB3      ARG  34   3.451  -3.428   0.124
  262   1HG   ARG  34           HG2      ARG  34   3.509  -4.790  -1.950
  263   2HG   ARG  34           HG3      ARG  34   4.368  -3.467  -2.821
  264   1HD   ARG  34           HD2      ARG  34   6.328  -3.667  -1.306
  265   2HD   ARG  34           HD3      ARG  34   5.499  -4.947  -0.343
  266    HE   ARG  34           HE       ARG  34   6.738  -5.193  -3.044
  267   1HH1  ARG  34           HH22     ARG  34   4.516  -6.728  -0.691
  268   2HH1  ARG  34           HH21     ARG  34   4.664  -8.305  -1.394
  269   1HH2  ARG  34           HH12     ARG  34   6.907  -7.311  -3.961
  270   2HH2  ARG  34           HH11     ARG  34   6.036  -8.640  -3.270
  271    H    CYS  35           HN       CYS  35   1.184  -4.526  -1.095
  272    HA   CYS  35           HA       CYS  35  -0.645  -3.633   0.908
  273   1HB   CYS  35           HB2      CYS  35  -1.741  -3.223  -1.443
  274   2HB   CYS  35           HB3      CYS  35  -1.929  -4.991  -1.522
  275    H    TYR  36           HN       TYR  36  -1.180  -5.256   2.197
  276    HA   TYR  36           HA       TYR  36   0.288  -7.812   1.923
  277   1HB   TYR  36           HB2      TYR  36   0.469  -5.546   3.990
  278   2HB   TYR  36           HB3      TYR  36   0.903  -7.222   4.495
  279    HD1  TYR  36           HD1      TYR  36   2.526  -8.418   2.574
  280    HD2  TYR  36           HD2      TYR  36   2.299  -4.246   3.564
  281    HE1  TYR  36           HE1      TYR  36   4.867  -8.118   1.856
  282    HE2  TYR  36           HE2      TYR  36   4.625  -3.929   2.826
  283    HH   TYR  36           HH       TYR  36   6.499  -4.924   2.064
  284    H    SER  37           HN       SER  37  -1.989  -8.417   1.368
  285    HA   SER  37           HA       SER  37  -4.027  -8.205   3.362
  286   1HB   SER  37           HB2      SER  37  -3.888  -9.880   0.788
  287   2HB   SER  37           HB3      SER  37  -5.354  -9.633   1.815
  288    HG   SER  37           HG       SER  37  -5.253  -8.229   0.050
   
  No H/Q in entry =         288
  Start of MODEL   21
    1    HA   PCA   1           HA       PGL   1  -3.654  -7.540  -5.594
    2   1HB   PCA   1           HB2      PGL   1  -3.026  -8.218  -2.656
    3   2HB   PCA   1           HB3      PGL   1  -4.637  -7.968  -3.434
    4   1HG   PCA   1           HG2      PGL   1  -3.495 -10.486  -2.901
    5   2HG   PCA   1           HG3      PGL   1  -4.608 -10.204  -4.316
    6    HN   PCA   1           HN       PGL   1  -1.413  -8.723  -6.000
    7    H    PHE   2           HN       PHE   2  -0.860  -6.977  -6.138
    8    HA   PHE   2           HA       PHE   2  -0.007  -4.949  -4.199
    9   1HB   PHE   2           HB2      PHE   2   1.442  -6.337  -6.552
   10   2HB   PHE   2           HB3      PHE   2   2.180  -5.064  -5.498
   11    HD1  PHE   2           HD1      PHE   2   2.634  -5.493  -3.153
   12    HD2  PHE   2           HD2      PHE   2   1.049  -8.592  -5.667
   13    HE1  PHE   2           HE1      PHE   2   3.246  -7.183  -1.450
   14    HE2  PHE   2           HE2      PHE   2   1.644 -10.281  -3.962
   15    HZ   PHE   2           HZ       PHE   2   2.744  -9.582  -1.849
   16    H    THR   3           HN       THR   3   0.610  -2.832  -4.918
   17    HA   THR   3           HA       THR   3  -0.948  -1.875  -7.215
   18    HB   THR   3           HB       THR   3  -1.220   0.189  -6.172
   19    HG1  THR   3           HG1      THR   3  -0.255   0.610  -4.127
   20   1HG2  THR   3           HG21     THR   3  -2.537  -1.786  -5.165
   21   2HG2  THR   3           HG22     THR   3  -1.345  -1.822  -3.821
   22   3HG2  THR   3           HG23     THR   3  -2.347  -0.359  -4.069
   23    H    ASN   4           HN       ASN   4   0.242   0.496  -7.855
   24    HA   ASN   4           HA       ASN   4   3.100   0.280  -7.977
   25   1HB   ASN   4           HB2      ASN   4   3.064   0.680 -10.539
   26   2HB   ASN   4           HB3      ASN   4   2.808  -0.984  -9.959
   27   1HD2  ASN   4           HD22     ASN   4  -0.304  -1.421 -11.535
   28   2HD2  ASN   4           HD21     ASN   4   1.041  -2.099 -10.683
   29    H    VAL   5           HN       VAL   5   1.746   1.883  -6.364
   30    HA   VAL   5           HA       VAL   5   1.729   4.551  -7.618
   31    HB   VAL   5           HB       VAL   5   1.041   4.050  -4.698
   32   1HG1  VAL   5           HG12     VAL   5   0.047   5.994  -6.905
   33   2HG1  VAL   5           HG13     VAL   5  -0.549   5.938  -5.206
   34   3HG1  VAL   5           HG11     VAL   5   1.141   6.430  -5.540
   35   1HG2  VAL   5           HG22     VAL   5  -0.709   3.388  -7.141
   36   2HG2  VAL   5           HG23     VAL   5  -0.237   2.321  -5.750
   37   3HG2  VAL   5           HG21     VAL   5  -1.344   3.712  -5.490
   38    H    SER   6           HN       SER   6   2.718   6.103  -5.529
   39    HA   SER   6           HA       SER   6   5.427   5.074  -4.972
   40   1HB   SER   6           HB2      SER   6   6.139   7.512  -4.810
   41   2HB   SER   6           HB3      SER   6   5.782   6.861  -6.435
   42    HG   SER   6           HG       SER   6   4.003   8.385  -4.837
   43    H    CYS   7           HN       CYS   7   6.092   4.970  -2.930
   44    HA   CYS   7           HA       CYS   7   4.545   6.384  -0.805
   45   1HB   CYS   7           HB2      CYS   7   3.303   4.489  -0.851
   46   2HB   CYS   7           HB3      CYS   7   4.679   3.402  -0.963
   47    H    THR   8           HN       THR   8   5.707   6.784   0.994
   48    HA   THR   8           HA       THR   8   8.504   5.926   1.219
   49    HB   THR   8           HB       THR   8   9.090   8.225   2.151
   50    HG1  THR   8           HG1      THR   8   6.917   8.971   2.239
   51   1HG2  THR   8           HG23     THR   8   9.882   7.349  -0.059
   52   2HG2  THR   8           HG21     THR   8   8.417   8.027  -0.860
   53   3HG2  THR   8           HG22     THR   8   9.611   9.129  -0.084
   54    H    THR   9           HN       THR   9   5.597   7.415   2.756
   55    HA   THR   9           HA       THR   9   6.344   6.295   5.369
   56    HB   THR   9           HB       THR   9   4.496   7.868   6.207
   57    HG1  THR   9           HG1      THR   9   4.127   9.622   4.842
   58   1HG2  THR   9           HG21     THR   9   6.937   8.267   6.472
   59   2HG2  THR   9           HG22     THR   9   6.992   9.078   4.857
   60   3HG2  THR   9           HG23     THR   9   6.018   9.795   6.200
   61    H    SER  10           HN       SER  10   5.226   4.629   6.206
   62    HA   SER  10           HA       SER  10   3.094   3.398   4.689
   63   1HB   SER  10           HB2      SER  10   3.423   1.488   6.324
   64   2HB   SER  10           HB3      SER  10   4.846   1.925   5.326
   65    HG   SER  10           HG       SER  10   4.397   2.745   7.996
   66    H    LYS  11           HN       LYS  11   1.636   5.188   5.077
   67    HA   LYS  11           HA       LYS  11  -0.318   4.654   6.916
   68   1HB   LYS  11           HB2      LYS  11   1.584   6.012   8.364
   69   2HB   LYS  11           HB3      LYS  11   0.625   7.397   7.794
   70   1HG   LYS  11           HG2      LYS  11  -1.431   6.365   8.789
   71   2HG   LYS  11           HG3      LYS  11  -0.525   4.841   9.085
   72   1HD   LYS  11           HD2      LYS  11   1.018   6.106  10.659
   73   2HD   LYS  11           HD3      LYS  11  -0.043   7.545  10.468
   74   1HE   LYS  11           HE2      LYS  11  -0.608   6.317  12.558
   75   2HE   LYS  11           HE3      LYS  11  -1.990   6.192  11.393
   76   1HZ   LYS  11           HZ3      LYS  11   0.104   4.132  11.864
   77   2HZ   LYS  11           HZ1      LYS  11  -1.490   4.104  12.453
   78   3HZ   LYS  11           HZ2      LYS  11  -1.197   4.009  10.782
   79    H    GLU  12           HN       GLU  12   1.350   6.959   4.742
   80    HA   GLU  12           HA       GLU  12  -0.570   8.492   3.742
   81   1HB   GLU  12           HB2      GLU  12   1.981   8.306   3.511
   82   2HB   GLU  12           HB3      GLU  12   1.758   7.160   2.190
   83   1HG   GLU  12           HG2      GLU  12   0.494   9.983   2.221
   84   2HG   GLU  12           HG3      GLU  12   2.203   9.705   1.731
   85   1HN   ABA  13           HN       ABA  13   0.233   5.169   2.682
   86    HA   ABA  13           HA       ABA  13  -1.639   5.266   0.414
   87   1HB   ABA  13           HB3      ABA  13   0.717   4.975  -0.104
   88   2HB   ABA  13           HB2      ABA  13  -0.234   3.549  -0.550
   89   1HG   ABA  13           HG1      ABA  13   1.549   3.848   1.966
   90   2HG   ABA  13           HG2      ABA  13   0.683   2.324   1.489
   91   3HG   ABA  13           HG3      ABA  13   1.970   3.017   0.429
   92    H    TRP  14           HN       TRP  14  -2.564   4.780   3.190
   93    HA   TRP  14           HA       TRP  14  -3.356   1.996   3.245
   94   1HB   TRP  14           HB2      TRP  14  -3.663   4.348   5.193
   95   2HB   TRP  14           HB3      TRP  14  -4.488   2.774   5.472
   96    HD1  TRP  14           HD1      TRP  14  -0.705   3.203   4.341
   97    HE1  TRP  14           HE1      TRP  14   0.594   1.571   5.752
   98    HE3  TRP  14           HE3      TRP  14  -4.409   1.926   7.637
   99    HZ2  TRP  14           HZ2      TRP  14   0.148  -0.110   8.013
  100    HZ3  TRP  14           HZ3      TRP  14  -3.924   0.211   9.349
  101    HH2  TRP  14           HH2      TRP  14  -1.693  -0.858   9.463
  102    H    SER  15           HN       SER  15  -4.753   4.999   2.022
  103    HA   SER  15           HA       SER  15  -7.430   3.913   1.902
  104   1HB   SER  15           HB2      SER  15  -8.005   6.136   0.873
  105   2HB   SER  15           HB3      SER  15  -7.319   6.228   2.528
  106    HG   SER  15           HG       SER  15  -5.881   6.642   0.122
  107    H    VAL  16           HN       VAL  16  -4.592   3.376   0.302
  108    HA   VAL  16           HA       VAL  16  -5.625   3.307  -2.422
  109    HB   VAL  16           HB       VAL  16  -2.832   2.719  -1.318
  110   1HG1  VAL  16           HG11     VAL  16  -3.851   3.099  -4.222
  111   2HG1  VAL  16           HG12     VAL  16  -2.128   2.972  -3.697
  112   3HG1  VAL  16           HG13     VAL  16  -3.210   1.563  -3.520
  113   1HG2  VAL  16           HG22     VAL  16  -4.047   5.227  -2.662
  114   2HG2  VAL  16           HG23     VAL  16  -3.498   5.097  -0.948
  115   3HG2  VAL  16           HG21     VAL  16  -2.301   4.979  -2.280
  116    H    CYS  17           HN       CYS  17  -4.454   1.100   0.199
  117    HA   CYS  17           HA       CYS  17  -5.167  -1.305  -1.222
  118   1HB   CYS  17           HB2      CYS  17  -4.154  -0.574   1.555
  119   2HB   CYS  17           HB3      CYS  17  -4.847  -2.204   1.341
  120    H    GLN  18           HN       GLN  18  -7.134   1.027   0.438
  121    HA   GLN  18           HA       GLN  18  -9.049  -0.812   1.488
  122   1HB   GLN  18           HB2      GLN  18  -8.188   1.268   2.584
  123   2HB   GLN  18           HB3      GLN  18  -9.011   2.272   1.363
  124   1HG   GLN  18           HG2      GLN  18 -10.417   0.123   3.040
  125   2HG   GLN  18           HG3      GLN  18 -10.078   1.772   3.720
  126   1HE2  GLN  18           HE22     GLN  18 -13.519   1.298   1.745
  127   2HE2  GLN  18           HE21     GLN  18 -12.613   0.059   2.552
  128    H    ARG  19           HN       ARG  19  -8.923   1.769  -0.980
  129    HA   ARG  19           HA       ARG  19 -11.561   1.309  -1.972
  130   1HB   ARG  19           HB2      ARG  19  -9.349   3.151  -2.973
  131   2HB   ARG  19           HB3      ARG  19 -11.018   3.059  -3.657
  132   1HG   ARG  19           HG2      ARG  19 -11.894   3.481  -1.285
  133   2HG   ARG  19           HG3      ARG  19 -10.227   3.970  -0.846
  134   1HD   ARG  19           HD2      ARG  19 -11.070   5.212  -3.415
  135   2HD   ARG  19           HD3      ARG  19 -12.337   5.505  -2.176
  136    HE   ARG  19           HE       ARG  19  -9.505   6.513  -2.227
  137   1HH1  ARG  19           HH12     ARG  19 -12.507   6.211  -0.300
  138   2HH1  ARG  19           HH11     ARG  19 -12.126   7.544   0.738
  139   1HH2  ARG  19           HH22     ARG  19  -9.024   8.297  -0.828
  140   2HH2  ARG  19           HH21     ARG  19 -10.126   8.744   0.433
  141    H    LEU  20           HN       LEU  20  -8.428  -0.075  -2.793
  142    HA   LEU  20           HA       LEU  20  -9.172  -0.830  -5.479
  143   1HB   LEU  20           HB2      LEU  20  -6.907   0.017  -4.990
  144   2HB   LEU  20           HB3      LEU  20  -6.661  -1.289  -3.790
  145    HG   LEU  20           HG       LEU  20  -6.810  -2.982  -5.567
  146   1HD1  LEU  20           HD12     LEU  20  -6.991  -0.618  -7.557
  147   2HD1  LEU  20           HD13     LEU  20  -6.701  -2.341  -8.004
  148   3HD1  LEU  20           HD11     LEU  20  -8.268  -1.859  -7.266
  149   1HD2  LEU  20           HD23     LEU  20  -4.641  -2.067  -4.884
  150   2HD2  LEU  20           HD21     LEU  20  -4.617  -2.513  -6.632
  151   3HD2  LEU  20           HD22     LEU  20  -4.747  -0.779  -6.145
  152    H    HIS  21           HN       HIS  21  -8.586  -2.318  -2.208
  153    HA   HIS  21           HA       HIS  21  -9.789  -4.833  -3.148
  154   1HB   HIS  21           HB2      HIS  21  -7.537  -4.390  -1.099
  155   2HB   HIS  21           HB3      HIS  21  -8.337  -5.968  -1.453
  156    HD1  HIS  21           HD1      HIS  21  -7.994  -6.822  -4.040
  157    HD2  HIS  21           HD2      HIS  21  -5.471  -3.690  -2.834
  158    HE1  HIS  21           HE1      HIS  21  -6.063  -6.664  -5.706
  159    H    ASN  22           HN       ASN  22  -9.065  -4.628   0.126
  160    HA   ASN  22           HA       ASN  22 -11.141  -3.194   1.237
  161   1HB   ASN  22           HB2      ASN  22 -12.755  -5.042   1.970
  162   2HB   ASN  22           HB3      ASN  22 -12.864  -4.544   0.268
  163   1HD2  ASN  22           HD22     ASN  22 -13.273  -8.109  -0.041
  164   2HD2  ASN  22           HD21     ASN  22 -14.127  -6.661   0.376
  165    H    THR  23           HN       THR  23  -8.722  -3.076   2.051
  166    HA   THR  23           HA       THR  23  -8.730  -4.477   4.570
  167    HB   THR  23           HB       THR  23  -7.452  -5.969   2.933
  168    HG1  THR  23           HG1      THR  23  -7.242  -6.054   5.154
  169   1HG2  THR  23           HG23     THR  23  -6.191  -4.088   1.728
  170   2HG2  THR  23           HG21     THR  23  -5.233  -3.858   3.256
  171   3HG2  THR  23           HG22     THR  23  -5.148  -5.412   2.371
  172    H    SER  24           HN       SER  24  -6.627  -3.535   5.760
  173    HA   SER  24           HA       SER  24  -6.412  -0.637   5.191
  174   1HB   SER  24           HB2      SER  24  -6.574  -1.991   7.957
  175   2HB   SER  24           HB3      SER  24  -6.219  -0.243   7.655
  176    HG   SER  24           HG       SER  24  -8.240  -0.121   6.630
  177    H    ARG  25           HN       ARG  25  -4.932  -3.743   5.520
  178    HA   ARG  25           HA       ARG  25  -2.410  -2.805   6.610
  179   1HB   ARG  25           HB2      ARG  25  -3.604  -5.560   5.977
  180   2HB   ARG  25           HB3      ARG  25  -1.879  -5.341   6.426
  181   1HG   ARG  25           HG2      ARG  25  -3.088  -6.081   8.337
  182   2HG   ARG  25           HG3      ARG  25  -2.453  -4.424   8.601
  183   1HD   ARG  25           HD2      ARG  25  -4.705  -4.789   9.603
  184   2HD   ARG  25           HD3      ARG  25  -4.736  -3.467   8.377
  185    HE   ARG  25           HE       ARG  25  -5.570  -5.269   6.704
  186   1HH1  ARG  25           HH22     ARG  25  -6.396  -5.304  10.196
  187   2HH1  ARG  25           HH21     ARG  25  -7.891  -6.148   9.964
  188   1HH2  ARG  25           HH12     ARG  25  -7.563  -6.458   6.446
  189   2HH2  ARG  25           HH11     ARG  25  -8.558  -6.808   7.820
  190    H    GLY  26           HN       GLY  26  -1.069  -1.930   5.230
  191   1HA   GLY  26           HA1      GLY  26  -0.098  -3.113   2.901
  192   2HA   GLY  26           HA2      GLY  26  -1.415  -1.930   2.479
  193    H    LYS  27           HN       LYS  27   1.872  -2.282   2.984
  194    HA   LYS  27           HA       LYS  27   2.331   0.409   4.087
  195   1HB   LYS  27           HB2      LYS  27   4.254  -2.003   4.211
  196   2HB   LYS  27           HB3      LYS  27   4.391  -0.418   5.047
  197   1HG   LYS  27           HG2      LYS  27   2.342  -1.054   6.416
  198   2HG   LYS  27           HG3      LYS  27   2.302  -2.616   5.516
  199   1HD   LYS  27           HD2      LYS  27   3.267  -3.133   7.570
  200   2HD   LYS  27           HD3      LYS  27   4.622  -3.156   6.398
  201   1HE   LYS  27           HE2      LYS  27   3.982  -0.757   8.271
  202   2HE   LYS  27           HE3      LYS  27   5.080  -2.122   8.725
  203   1HZ   LYS  27           HZ1      LYS  27   6.481  -1.570   6.866
  204   2HZ   LYS  27           HZ2      LYS  27   5.460  -0.286   6.425
  205   3HZ   LYS  27           HZ3      LYS  27   6.283  -0.244   7.909
  206    H    CYS  28           HN       CYS  28   5.246  -0.111   3.278
  207    HA   CYS  28           HA       CYS  28   5.190  -0.518   0.450
  208   1HB   CYS  28           HB2      CYS  28   6.161   1.807  -0.114
  209   2HB   CYS  28           HB3      CYS  28   4.447   1.703   0.317
  210    H    MET  29           HN       MET  29   7.454   0.017  -0.469
  211    HA   MET  29           HA       MET  29   9.481  -1.059   1.307
  212   1HB   MET  29           HB2      MET  29   8.790  -2.069  -0.976
  213   2HB   MET  29           HB3      MET  29   9.719  -0.745  -1.716
  214   1HG   MET  29           HG2      MET  29  11.694  -1.524  -0.198
  215   2HG   MET  29           HG3      MET  29  10.653  -2.897   0.296
  216   1HE   MET  29           HE2      MET  29  10.008  -4.883  -1.100
  217   2HE   MET  29           HE3      MET  29   9.147  -3.858  -2.301
  218   3HE   MET  29           HE1      MET  29  10.309  -5.105  -2.857
  219    H    ASN  30           HN       ASN  30  11.097   0.489  -1.088
  220    HA   ASN  30           HA       ASN  30  11.660   2.823   0.503
  221   1HB   ASN  30           HB2      ASN  30  13.464   3.276  -1.225
  222   2HB   ASN  30           HB3      ASN  30  13.599   1.798  -0.240
  223   1HD2  ASN  30           HD22     ASN  30  13.569  -0.477  -2.932
  224   2HD2  ASN  30           HD21     ASN  30  13.655  -0.218  -1.221
  225    H    LYS  31           HN       LYS  31  10.048   2.202  -2.591
  226    HA   LYS  31           HA       LYS  31   9.358   5.056  -2.844
  227   1HB   LYS  31           HB2      LYS  31  10.952   3.349  -4.817
  228   2HB   LYS  31           HB3      LYS  31  10.106   4.819  -5.367
  229   1HG   LYS  31           HG2      LYS  31  12.267   4.819  -3.230
  230   2HG   LYS  31           HG3      LYS  31  12.473   5.219  -4.976
  231   1HD   LYS  31           HD2      LYS  31  10.793   7.088  -4.699
  232   2HD   LYS  31           HD3      LYS  31  10.740   6.736  -2.931
  233   1HE   LYS  31           HE2      LYS  31  13.213   7.232  -2.769
  234   2HE   LYS  31           HE3      LYS  31  13.230   7.630  -4.536
  235   1HZ   LYS  31           HZ2      LYS  31  11.616   9.365  -4.091
  236   2HZ   LYS  31           HZ3      LYS  31  11.643   9.008  -2.431
  237   3HZ   LYS  31           HZ1      LYS  31  13.045   9.583  -3.198
  238    H    LYS  32           HN       LYS  32   7.923   1.947  -2.844
  239    HA   LYS  32           HA       LYS  32   5.818   3.089  -4.502
  240   1HB   LYS  32           HB2      LYS  32   5.509   1.413  -5.960
  241   2HB   LYS  32           HB3      LYS  32   7.273   1.690  -6.048
  242   1HG   LYS  32           HG2      LYS  32   7.587  -0.331  -4.473
  243   2HG   LYS  32           HG3      LYS  32   5.818  -0.638  -4.640
  244   1HD   LYS  32           HD2      LYS  32   6.243  -0.501  -7.202
  245   2HD   LYS  32           HD3      LYS  32   7.970  -0.779  -6.777
  246   1HE   LYS  32           HE2      LYS  32   5.539  -2.608  -6.101
  247   2HE   LYS  32           HE3      LYS  32   6.831  -2.962  -7.318
  248   1HZ   LYS  32           HZ1      LYS  32   7.214  -2.672  -4.384
  249   2HZ   LYS  32           HZ2      LYS  32   7.153  -4.129  -5.255
  250   3HZ   LYS  32           HZ3      LYS  32   8.424  -3.034  -5.521
  251   1HN   ABA  33           HN       ABA  33   3.741   2.270  -4.084
  252    HA   ABA  33           HA       ABA  33   3.296   1.345  -1.433
  253   1HB   ABA  33           HB3      ABA  33   1.497   1.992  -3.801
  254   2HB   ABA  33           HB2      ABA  33   1.926   3.043  -2.424
  255   1HG   ABA  33           HG1      ABA  33  -0.321   2.179  -2.049
  256   2HG   ABA  33           HG2      ABA  33   0.211   0.472  -2.229
  257   3HG   ABA  33           HG3      ABA  33   0.818   1.445  -0.845
  258    H    ARG  34           HN       ARG  34   2.627  -0.708  -0.783
  259    HA   ARG  34           HA       ARG  34   2.225  -2.817  -2.803
  260   1HB   ARG  34           HB2      ARG  34   3.672  -3.185  -0.108
  261   2HB   ARG  34           HB3      ARG  34   3.320  -4.444  -1.343
  262   1HG   ARG  34           HG2      ARG  34   4.767  -2.782  -2.910
  263   2HG   ARG  34           HG3      ARG  34   5.431  -2.273  -1.322
  264   1HD   ARG  34           HD2      ARG  34   5.425  -5.062  -2.642
  265   2HD   ARG  34           HD3      ARG  34   6.870  -4.051  -2.202
  266    HE   ARG  34           HE       ARG  34   5.547  -4.471   0.247
  267   1HH1  ARG  34           HH22     ARG  34   6.790  -6.645  -2.300
  268   2HH1  ARG  34           HH21     ARG  34   6.977  -8.003  -1.239
  269   1HH2  ARG  34           HH12     ARG  34   5.805  -6.314   1.659
  270   2HH2  ARG  34           HH11     ARG  34   6.410  -7.811   1.034
  271    H    CYS  35           HN       CYS  35   1.384  -4.777  -1.048
  272    HA   CYS  35           HA       CYS  35  -0.500  -3.716   0.793
  273   1HB   CYS  35           HB2      CYS  35  -1.563  -4.036  -1.709
  274   2HB   CYS  35           HB3      CYS  35  -1.806  -5.692  -1.106
  275    H    TYR  36           HN       TYR  36  -0.922  -5.218   2.302
  276    HA   TYR  36           HA       TYR  36   1.065  -7.417   2.435
  277   1HB   TYR  36           HB2      TYR  36   0.509  -4.982   4.156
  278   2HB   TYR  36           HB3      TYR  36   1.074  -6.462   5.023
  279    HD1  TYR  36           HD1      TYR  36   1.956  -3.969   2.356
  280    HD2  TYR  36           HD2      TYR  36   3.369  -7.038   5.011
  281    HE1  TYR  36           HE1      TYR  36   4.272  -3.221   1.987
  282    HE2  TYR  36           HE2      TYR  36   5.696  -6.301   4.615
  283    HH   TYR  36           HH       TYR  36   6.429  -3.510   2.467
  284    H    SER  37           HN       SER  37  -2.095  -6.422   2.709
  285    HA   SER  37           HA       SER  37  -3.986  -7.239   3.177
  286   1HB   SER  37           HB2      SER  37  -4.579  -9.538   2.787
  287   2HB   SER  37           HB3      SER  37  -3.343  -8.998   1.596
  288    HG   SER  37           HG       SER  37  -1.787 -10.029   2.922
   
  No H/Q in entry =         288
  Start of MODEL   22
    1    HA   PCA   1           HA       PGL   1  -4.245  -8.260  -5.158
    2   1HB   PCA   1           HB2      PGL   1  -1.616  -9.381  -6.305
    3   2HB   PCA   1           HB3      PGL   1  -2.870 -10.234  -5.325
    4   1HG   PCA   1           HG2      PGL   1  -2.671 -10.398  -8.123
    5   2HG   PCA   1           HG3      PGL   1  -4.276 -10.500  -7.265
    6    HN   PCA   1           HN       PGL   1  -3.989  -6.615  -7.119
    7    H    PHE   2           HN       PHE   2  -1.512  -6.619  -6.779
    8    HA   PHE   2           HA       PHE   2  -0.670  -5.353  -4.255
    9   1HB   PHE   2           HB2      PHE   2   1.046  -6.280  -6.668
   10   2HB   PHE   2           HB3      PHE   2   1.657  -5.273  -5.300
   11    HD1  PHE   2           HD2      PHE   2   1.323  -6.210  -2.901
   12    HD2  PHE   2           HD1      PHE   2   1.103  -8.622  -6.456
   13    HE1  PHE   2           HE2      PHE   2   1.719  -8.245  -1.550
   14    HE2  PHE   2           HE1      PHE   2   1.498 -10.652  -5.102
   15    HZ   PHE   2           HZ       PHE   2   1.798 -10.469  -2.646
   16    H    THR   3           HN       THR   3   0.237  -3.196  -4.618
   17    HA   THR   3           HA       THR   3  -1.103  -1.731  -6.781
   18    HB   THR   3           HB       THR   3  -0.632   0.243  -5.158
   19    HG1  THR   3           HG1      THR   3  -0.098  -0.210  -3.222
   20   1HG2  THR   3           HG23     THR   3  -2.635  -2.004  -4.479
   21   2HG2  THR   3           HG21     THR   3  -2.710  -0.314  -3.865
   22   3HG2  THR   3           HG22     THR   3  -2.860  -0.634  -5.637
   23    H    ASN   4           HN       ASN   4   0.087   0.000  -7.805
   24    HA   ASN   4           HA       ASN   4   3.001  -0.159  -7.696
   25   1HB   ASN   4           HB2      ASN   4   3.091  -0.234 -10.220
   26   2HB   ASN   4           HB3      ASN   4   2.533  -1.743  -9.452
   27   1HD2  ASN   4           HD22     ASN   4   0.168   0.113 -12.218
   28   2HD2  ASN   4           HD21     ASN   4   1.743   0.697 -11.793
   29    H    VAL   5           HN       VAL   5   1.637   1.669  -6.358
   30    HA   VAL   5           HA       VAL   5   1.605   4.139  -7.933
   31    HB   VAL   5           HB       VAL   5   1.010   3.964  -4.946
   32   1HG1  VAL   5           HG11     VAL   5  -0.089   5.640  -7.326
   33   2HG1  VAL   5           HG12     VAL   5  -0.636   5.767  -5.614
   34   3HG1  VAL   5           HG13     VAL   5   1.031   6.253  -6.052
   35   1HG2  VAL   5           HG22     VAL   5  -0.800   3.012  -7.241
   36   2HG2  VAL   5           HG23     VAL   5  -0.270   2.125  -5.747
   37   3HG2  VAL   5           HG21     VAL   5  -1.392   3.519  -5.622
   38    H    SER   6           HN       SER   6   2.623   5.951  -6.088
   39    HA   SER   6           HA       SER   6   5.303   4.972  -5.328
   40   1HB   SER   6           HB2      SER   6   6.121   7.368  -5.601
   41   2HB   SER   6           HB3      SER   6   5.803   6.425  -7.083
   42    HG   SER   6           HG       SER   6   4.020   8.292  -5.907
   43    H    CYS   7           HN       CYS   7   5.783   5.115  -3.282
   44    HA   CYS   7           HA       CYS   7   3.801   6.401  -1.477
   45   1HB   CYS   7           HB2      CYS   7   4.240   4.931   0.222
   46   2HB   CYS   7           HB3      CYS   7   4.237   3.946  -1.224
   47    H    THR   8           HN       THR   8   4.759   7.170   0.671
   48    HA   THR   8           HA       THR   8   7.359   8.512   0.393
   49    HB   THR   8           HB       THR   8   6.417  10.336   1.922
   50    HG1  THR   8           HG1      THR   8   3.993   9.317   0.838
   51   1HG2  THR   8           HG23     THR   8   7.035  10.658  -0.478
   52   2HG2  THR   8           HG21     THR   8   5.384  10.144  -0.986
   53   3HG2  THR   8           HG22     THR   8   5.605  11.647  -0.015
   54    H    THR   9           HN       THR   9   4.743   7.471   2.654
   55    HA   THR   9           HA       THR   9   6.745   6.198   4.390
   56    HB   THR   9           HB       THR   9   5.344   6.914   6.372
   57    HG1  THR   9           HG1      THR   9   3.533   7.607   5.159
   58   1HG2  THR   9           HG22     THR   9   7.548   7.961   5.808
   59   2HG2  THR   9           HG23     THR   9   6.704   9.196   4.798
   60   3HG2  THR   9           HG21     THR   9   6.403   9.122   6.571
   61    H    SER  10           HN       SER  10   5.814   4.523   5.720
   62    HA   SER  10           HA       SER  10   3.870   2.889   4.323
   63   1HB   SER  10           HB2      SER  10   5.710   2.321   6.729
   64   2HB   SER  10           HB3      SER  10   4.691   1.098   5.873
   65    HG   SER  10           HG       SER  10   5.869   1.592   3.997
   66    H    LYS  11           HN       LYS  11   2.290   4.806   5.136
   67    HA   LYS  11           HA       LYS  11   0.600   3.831   7.133
   68   1HB   LYS  11           HB2      LYS  11   0.703   5.715   8.765
   69   2HB   LYS  11           HB3      LYS  11   2.131   4.643   8.775
   70   1HG   LYS  11           HG2      LYS  11   3.469   6.279   7.523
   71   2HG   LYS  11           HG3      LYS  11   2.076   7.415   7.444
   72   1HD   LYS  11           HD2      LYS  11   2.017   7.604   9.894
   73   2HD   LYS  11           HD3      LYS  11   3.313   6.374  10.073
   74   1HE   LYS  11           HE2      LYS  11   3.697   9.086   8.621
   75   2HE   LYS  11           HE3      LYS  11   4.112   8.779  10.357
   76   1HZ   LYS  11           HZ2      LYS  11   5.623   7.063   9.647
   77   2HZ   LYS  11           HZ3      LYS  11   5.240   7.341   8.017
   78   3HZ   LYS  11           HZ1      LYS  11   6.006   8.552   8.927
   79    H    GLU  12           HN       GLU  12   1.673   6.502   4.965
   80    HA   GLU  12           HA       GLU  12  -0.690   7.903   4.858
   81   1HB   GLU  12           HB2      GLU  12   1.879   8.282   4.235
   82   2HB   GLU  12           HB3      GLU  12   1.376   7.908   2.587
   83   1HG   GLU  12           HG2      GLU  12   0.146  10.065   4.448
   84   2HG   GLU  12           HG3      GLU  12   1.454  10.374   3.251
   85   1HN   ABA  13           HN       ABA  13   0.444   5.107   3.040
   86    HA   ABA  13           HA       ABA  13  -1.564   5.340   0.905
   87   1HB   ABA  13           HB3      ABA  13   0.758   5.337   0.229
   88   2HB   ABA  13           HB2      ABA  13  -0.035   3.851  -0.323
   89   1HG   ABA  13           HG1      ABA  13   1.083   2.609   1.629
   90   2HG   ABA  13           HG2      ABA  13   2.240   3.402   0.503
   91   3HG   ABA  13           HG3      ABA  13   1.881   4.159   2.103
   92    H    TRP  14           HN       TRP  14  -2.444   4.536   3.498
   93    HA   TRP  14           HA       TRP  14  -3.099   1.725   3.343
   94   1HB   TRP  14           HB2      TRP  14  -3.595   3.942   5.389
   95   2HB   TRP  14           HB3      TRP  14  -4.392   2.338   5.535
   96    HD1  TRP  14           HD1      TRP  14  -0.601   2.566   4.479
   97    HE1  TRP  14           HE1      TRP  14   0.629   1.081   6.104
   98    HE3  TRP  14           HE3      TRP  14  -4.390   1.789   7.832
   99    HZ2  TRP  14           HZ2      TRP  14   0.108  -0.280   8.555
  100    HZ3  TRP  14           HZ3      TRP  14  -3.975   0.300   9.760
  101    HH2  TRP  14           HH2      TRP  14  -1.770  -0.784  10.062
  102    H    SER  15           HN       SER  15  -4.575   4.751   2.252
  103    HA   SER  15           HA       SER  15  -7.222   3.625   2.014
  104   1HB   SER  15           HB2      SER  15  -7.818   5.909   1.127
  105   2HB   SER  15           HB3      SER  15  -7.159   5.901   2.796
  106    HG   SER  15           HG       SER  15  -5.689   6.490   0.448
  107    H    VAL  16           HN       VAL  16  -4.332   3.398   0.391
  108    HA   VAL  16           HA       VAL  16  -5.422   3.232  -2.329
  109    HB   VAL  16           HB       VAL  16  -2.576   2.895  -1.202
  110   1HG1  VAL  16           HG12     VAL  16  -3.602   3.078  -4.119
  111   2HG1  VAL  16           HG13     VAL  16  -1.877   3.211  -3.597
  112   3HG1  VAL  16           HG11     VAL  16  -2.763   1.677  -3.345
  113   1HG2  VAL  16           HG23     VAL  16  -3.971   5.291  -2.561
  114   2HG2  VAL  16           HG21     VAL  16  -3.384   5.204  -0.856
  115   3HG2  VAL  16           HG22     VAL  16  -2.206   5.170  -2.210
  116    H    CYS  17           HN       CYS  17  -4.433   1.173   0.409
  117    HA   CYS  17           HA       CYS  17  -4.764  -1.302  -0.959
  118   1HB   CYS  17           HB2      CYS  17  -4.675  -0.377   1.944
  119   2HB   CYS  17           HB3      CYS  17  -5.233  -2.039   1.628
  120    H    GLN  18           HN       GLN  18  -7.044   1.040   0.478
  121    HA   GLN  18           HA       GLN  18  -9.156  -0.810   0.924
  122   1HB   GLN  18           HB2      GLN  18  -8.415   0.994   2.475
  123   2HB   GLN  18           HB3      GLN  18  -8.916   2.230   1.281
  124   1HG   GLN  18           HG2      GLN  18 -11.289   1.485   1.487
  125   2HG   GLN  18           HG3      GLN  18 -10.766   0.111   2.543
  126   1HE2  GLN  18           HE22     GLN  18 -11.393   2.178   5.371
  127   2HE2  GLN  18           HE21     GLN  18 -11.721   0.705   4.518
  128    H    ARG  19           HN       ARG  19  -8.375   1.798  -1.409
  129    HA   ARG  19           HA       ARG  19 -10.988   1.889  -2.597
  130   1HB   ARG  19           HB2      ARG  19  -8.306   3.248  -3.129
  131   2HB   ARG  19           HB3      ARG  19  -9.701   3.535  -4.223
  132   1HG   ARG  19           HG2      ARG  19 -10.186   3.940  -1.258
  133   2HG   ARG  19           HG3      ARG  19  -9.144   5.113  -2.127
  134   1HD   ARG  19           HD2      ARG  19 -11.519   5.865  -2.092
  135   2HD   ARG  19           HD3      ARG  19 -10.875   5.603  -3.776
  136    HE   ARG  19           HE       ARG  19 -12.039   3.152  -3.129
  137   1HH1  ARG  19           HH12     ARG  19 -13.286   6.505  -3.210
  138   2HH1  ARG  19           HH11     ARG  19 -14.870   6.033  -3.732
  139   1HH2  ARG  19           HH22     ARG  19 -14.156   2.554  -3.837
  140   2HH2  ARG  19           HH21     ARG  19 -15.372   3.763  -4.092
  141    H    LEU  20           HN       LEU  20  -8.113   0.037  -3.117
  142    HA   LEU  20           HA       LEU  20  -8.624  -0.667  -5.887
  143   1HB   LEU  20           HB2      LEU  20  -6.460  -0.967  -3.801
  144   2HB   LEU  20           HB3      LEU  20  -6.501  -2.234  -5.075
  145    HG   LEU  20           HG       LEU  20  -4.940  -0.393  -5.410
  146   1HD1  LEU  20           HD13     LEU  20  -5.628  -1.885  -7.257
  147   2HD1  LEU  20           HD11     LEU  20  -6.996  -0.785  -7.675
  148   3HD1  LEU  20           HD12     LEU  20  -5.293  -0.225  -7.876
  149   1HD2  LEU  20           HD22     LEU  20  -6.296   1.597  -4.716
  150   2HD2  LEU  20           HD23     LEU  20  -5.564   1.785  -6.350
  151   3HD2  LEU  20           HD21     LEU  20  -7.317   1.405  -6.191
  152    H    HIS  21           HN       HIS  21  -8.077  -2.376  -2.755
  153    HA   HIS  21           HA       HIS  21  -9.765  -4.617  -3.622
  154   1HB   HIS  21           HB2      HIS  21  -7.585  -4.441  -1.473
  155   2HB   HIS  21           HB3      HIS  21  -8.463  -5.937  -1.988
  156    HD1  HIS  21           HD1      HIS  21  -7.958  -6.537  -4.679
  157    HD2  HIS  21           HD2      HIS  21  -5.395  -3.735  -2.898
  158    HE1  HIS  21           HE1      HIS  21  -5.908  -6.269  -6.181
  159    H    ASN  22           HN       ASN  22  -9.055  -4.455  -0.321
  160    HA   ASN  22           HA       ASN  22 -11.133  -2.984   0.772
  161   1HB   ASN  22           HB2      ASN  22 -12.769  -4.784   1.493
  162   2HB   ASN  22           HB3      ASN  22 -12.836  -4.375  -0.235
  163   1HD2  ASN  22           HD22     ASN  22 -13.246  -8.018  -0.091
  164   2HD2  ASN  22           HD21     ASN  22 -14.092  -6.591   0.409
  165    H    THR  23           HN       THR  23  -8.729  -2.873   1.587
  166    HA   THR  23           HA       THR  23  -8.497  -4.458   4.006
  167    HB   THR  23           HB       THR  23  -7.331  -6.018   2.826
  168    HG1  THR  23           HG1      THR  23  -5.303  -4.113   3.301
  169   1HG2  THR  23           HG21     THR  23  -6.192  -3.847   0.977
  170   2HG2  THR  23           HG22     THR  23  -5.750  -5.595   0.968
  171   3HG2  THR  23           HG23     THR  23  -7.428  -5.110   0.577
  172    H    SER  24           HN       SER  24  -6.916  -3.554   5.456
  173    HA   SER  24           HA       SER  24  -6.312  -0.709   5.042
  174   1HB   SER  24           HB2      SER  24  -7.382  -2.057   7.608
  175   2HB   SER  24           HB3      SER  24  -6.781  -0.355   7.491
  176    HG   SER  24           HG       SER  24  -8.411   0.000   5.953
  177    H    ARG  25           HN       ARG  25  -5.222  -3.913   5.467
  178    HA   ARG  25           HA       ARG  25  -2.896  -3.237   7.062
  179   1HB   ARG  25           HB2      ARG  25  -2.336  -5.687   6.942
  180   2HB   ARG  25           HB3      ARG  25  -3.743  -5.210   7.924
  181   1HG   ARG  25           HG2      ARG  25  -4.142  -6.185   5.059
  182   2HG   ARG  25           HG3      ARG  25  -3.887  -7.335   6.402
  183   1HD   ARG  25           HD2      ARG  25  -5.851  -6.728   7.570
  184   2HD   ARG  25           HD3      ARG  25  -6.040  -5.174   6.660
  185    HE   ARG  25           HE       ARG  25  -6.310  -6.798   4.561
  186   1HH1  ARG  25           HH12     ARG  25  -7.784  -7.107   7.812
  187   2HH1  ARG  25           HH11     ARG  25  -9.246  -7.820   7.216
  188   1HH2  ARG  25           HH22     ARG  25  -8.237  -7.838   3.809
  189   2HH2  ARG  25           HH21     ARG  25  -9.506  -8.240   4.917
  190    H    GLY  26           HN       GLY  26  -1.205  -2.477   6.053
  191   1HA   GLY  26           HA1      GLY  26  -0.196  -3.397   3.567
  192   2HA   GLY  26           HA2      GLY  26  -1.102  -1.825   3.465
  193    H    LYS  27           HN       LYS  27   1.701  -2.021   2.977
  194    HA   LYS  27           HA       LYS  27   2.571  -0.014   4.851
  195   1HB   LYS  27           HB2      LYS  27   4.405  -2.430   4.236
  196   2HB   LYS  27           HB3      LYS  27   4.877  -0.937   5.107
  197   1HG   LYS  27           HG2      LYS  27   3.264  -1.484   6.925
  198   2HG   LYS  27           HG3      LYS  27   2.865  -3.028   6.084
  199   1HD   LYS  27           HD2      LYS  27   5.214  -3.795   6.302
  200   2HD   LYS  27           HD3      LYS  27   5.674  -2.226   7.050
  201   1HE   LYS  27           HE2      LYS  27   5.393  -3.986   8.800
  202   2HE   LYS  27           HE3      LYS  27   4.154  -2.679   8.997
  203   1HZ   LYS  27           HZ2      LYS  27   2.574  -4.092   7.860
  204   2HZ   LYS  27           HZ3      LYS  27   3.732  -5.324   7.702
  205   3HZ   LYS  27           HZ1      LYS  27   3.204  -4.847   9.244
  206    H    CYS  28           HN       CYS  28   5.232  -0.160   3.455
  207    HA   CYS  28           HA       CYS  28   4.792  -0.302   0.674
  208   1HB   CYS  28           HB2      CYS  28   4.709   1.993   0.023
  209   2HB   CYS  28           HB3      CYS  28   3.950   2.144   1.587
  210    H    MET  29           HN       MET  29   7.040   0.517  -0.377
  211    HA   MET  29           HA       MET  29   9.034  -0.991   1.167
  212   1HB   MET  29           HB2      MET  29   8.043  -1.827  -1.079
  213   2HB   MET  29           HB3      MET  29   9.058  -0.587  -1.858
  214   1HG   MET  29           HG2      MET  29  11.079  -1.661  -0.688
  215   2HG   MET  29           HG3      MET  29   9.964  -2.842   0.062
  216   1HE   MET  29           HE2      MET  29  12.532  -3.640  -1.378
  217   2HE   MET  29           HE3      MET  29  11.342  -4.779  -0.659
  218   3HE   MET  29           HE1      MET  29  11.977  -5.071  -2.314
  219    H    ASN  30           HN       ASN  30  10.774   0.314  -1.177
  220    HA   ASN  30           HA       ASN  30  11.627   2.601   0.339
  221   1HB   ASN  30           HB2      ASN  30  13.499   2.752  -1.338
  222   2HB   ASN  30           HB3      ASN  30  13.387   1.239  -0.402
  223   1HD2  ASN  30           HD22     ASN  30  13.239   1.101  -4.488
  224   2HD2  ASN  30           HD21     ASN  30  13.452   2.582  -3.615
  225    H    LYS  31           HN       LYS  31   9.907   2.078  -2.722
  226    HA   LYS  31           HA       LYS  31   9.502   4.986  -3.000
  227   1HB   LYS  31           HB2      LYS  31  10.529   3.023  -5.112
  228   2HB   LYS  31           HB3      LYS  31   9.913   4.651  -5.520
  229   1HG   LYS  31           HG2      LYS  31  11.675   5.776  -4.303
  230   2HG   LYS  31           HG3      LYS  31  12.305   4.221  -3.670
  231   1HD   LYS  31           HD2      LYS  31  13.736   4.900  -5.455
  232   2HD   LYS  31           HD3      LYS  31  12.813   3.442  -5.969
  233   1HE   LYS  31           HE2      LYS  31  11.301   4.886  -7.374
  234   2HE   LYS  31           HE3      LYS  31  12.176   6.365  -6.802
  235   1HZ   LYS  31           HZ1      LYS  31  13.370   4.102  -8.317
  236   2HZ   LYS  31           HZ2      LYS  31  12.929   5.616  -8.948
  237   3HZ   LYS  31           HZ3      LYS  31  14.176   5.503  -7.798
  238    H    LYS  32           HN       LYS  32   7.748   1.916  -2.784
  239    HA   LYS  32           HA       LYS  32   5.664   3.084  -4.466
  240   1HB   LYS  32           HB2      LYS  32   5.287   1.238  -5.747
  241   2HB   LYS  32           HB3      LYS  32   7.034   1.556  -5.926
  242   1HG   LYS  32           HG2      LYS  32   7.547  -0.339  -4.350
  243   2HG   LYS  32           HG3      LYS  32   5.781  -0.635  -4.140
  244   1HD   LYS  32           HD2      LYS  32   5.590  -0.806  -6.663
  245   2HD   LYS  32           HD3      LYS  32   7.386  -0.955  -6.700
  246   1HE   LYS  32           HE2      LYS  32   7.225  -3.021  -5.239
  247   2HE   LYS  32           HE3      LYS  32   5.434  -2.787  -5.109
  248   1HZ   LYS  32           HZ2      LYS  32   5.271  -3.088  -7.483
  249   2HZ   LYS  32           HZ3      LYS  32   6.948  -3.337  -7.606
  250   3HZ   LYS  32           HZ1      LYS  32   5.987  -4.431  -6.731
  251   1HN   ABA  33           HN       ABA  33   3.585   2.081  -4.084
  252    HA   ABA  33           HA       ABA  33   3.150   1.451  -1.312
  253   1HB   ABA  33           HB3      ABA  33   1.231   1.791  -3.673
  254   2HB   ABA  33           HB2      ABA  33   1.773   3.062  -2.523
  255   1HG   ABA  33           HG1      ABA  33  -0.408   2.321  -1.806
  256   2HG   ABA  33           HG2      ABA  33   0.097   0.591  -1.740
  257   3HG   ABA  33           HG3      ABA  33   0.839   1.786  -0.614
  258    H    ARG  34           HN       ARG  34   2.309  -0.547  -0.556
  259    HA   ARG  34           HA       ARG  34   1.948  -2.780  -2.377
  260   1HB   ARG  34           HB2      ARG  34   3.910  -2.937   0.001
  261   2HB   ARG  34           HB3      ARG  34   3.256  -4.338  -0.921
  262   1HG   ARG  34           HG2      ARG  34   4.241  -2.965  -3.010
  263   2HG   ARG  34           HG3      ARG  34   5.345  -2.312  -1.754
  264   1HD   ARG  34           HD2      ARG  34   4.805  -5.288  -2.444
  265   2HD   ARG  34           HD3      ARG  34   6.259  -4.337  -2.971
  266    HE   ARG  34           HE       ARG  34   6.612  -4.013  -0.369
  267   1HH1  ARG  34           HH22     ARG  34   5.443  -7.009  -1.944
  268   2HH1  ARG  34           HH21     ARG  34   6.294  -8.059  -0.860
  269   1HH2  ARG  34           HH12     ARG  34   7.751  -5.456   1.053
  270   2HH2  ARG  34           HH11     ARG  34   7.615  -7.174   0.851
  271    H    CYS  35           HN       CYS  35   1.146  -4.702  -0.757
  272    HA   CYS  35           HA       CYS  35  -0.549  -3.664   1.277
  273   1HB   CYS  35           HB2      CYS  35  -1.739  -3.436  -1.110
  274   2HB   CYS  35           HB3      CYS  35  -2.023  -5.186  -0.936
  275    H    TYR  36           HN       TYR  36  -1.148  -5.256   2.631
  276    HA   TYR  36           HA       TYR  36   0.565  -7.682   2.538
  277   1HB   TYR  36           HB2      TYR  36   0.356  -5.333   4.469
  278   2HB   TYR  36           HB3      TYR  36   0.929  -6.926   5.121
  279    HD1  TYR  36           HD1      TYR  36   1.568  -4.222   2.691
  280    HD2  TYR  36           HD2      TYR  36   3.183  -7.628   4.708
  281    HE1  TYR  36           HE1      TYR  36   3.823  -3.424   2.167
  282    HE2  TYR  36           HE2      TYR  36   5.480  -6.868   4.165
  283    HH   TYR  36           HH       TYR  36   6.044  -3.773   2.402
  284    H    SER  37           HN       SER  37  -2.078  -7.504   1.854
  285    HA   SER  37           HA       SER  37  -3.785  -8.299   4.046
  286   1HB   SER  37           HB2      SER  37  -4.598  -7.031   2.020
  287   2HB   SER  37           HB3      SER  37  -4.327  -8.505   1.029
  288    HG   SER  37           HG       SER  37  -6.001  -8.236   3.317
   
  No H/Q in entry =         288
  Start of MODEL   23
    1    HA   PCA   1           HA       PGL   1  -4.220  -7.283  -6.829
    2   1HB   PCA   1           HB2      PGL   1  -4.249  -8.722  -4.348
    3   2HB   PCA   1           HB3      PGL   1  -5.261  -9.054  -5.785
    4   1HG   PCA   1           HG2      PGL   1  -2.723 -10.498  -4.929
    5   2HG   PCA   1           HG3      PGL   1  -4.213 -11.147  -5.754
    6    HN   PCA   1           HN       PGL   1  -2.428  -8.278  -8.113
    7    H    PHE   2           HN       PHE   2  -1.609  -6.513  -7.333
    8    HA   PHE   2           HA       PHE   2  -0.470  -5.547  -4.791
    9   1HB   PHE   2           HB2      PHE   2   0.932  -6.100  -7.500
   10   2HB   PHE   2           HB3      PHE   2   1.728  -5.579  -5.963
   11    HD1  PHE   2           HD2      PHE   2   1.111  -7.168  -3.862
   12    HD2  PHE   2           HD1      PHE   2   1.014  -8.363  -7.994
   13    HE1  PHE   2           HE2      PHE   2   1.325  -9.537  -3.188
   14    HE2  PHE   2           HE1      PHE   2   1.237 -10.729  -7.313
   15    HZ   PHE   2           HZ       PHE   2   1.387 -11.322  -4.909
   16    H    THR   3           HN       THR   3   0.637  -3.399  -5.034
   17    HA   THR   3           HA       THR   3  -0.696  -1.620  -6.964
   18    HB   THR   3           HB       THR   3  -0.091   0.153  -5.168
   19    HG1  THR   3           HG1      THR   3   0.489  -0.500  -3.332
   20   1HG2  THR   3           HG23     THR   3  -2.382  -0.578  -5.739
   21   2HG2  THR   3           HG21     THR   3  -2.262  -1.971  -4.593
   22   3HG2  THR   3           HG22     THR   3  -2.207  -0.280  -3.969
   23    H    ASN   4           HN       ASN   4   0.593   0.016  -7.895
   24    HA   ASN   4           HA       ASN   4   3.485  -0.160  -7.662
   25   1HB   ASN   4           HB2      ASN   4   3.658  -0.153 -10.225
   26   2HB   ASN   4           HB3      ASN   4   3.236  -1.708  -9.464
   27   1HD2  ASN   4           HD22     ASN   4   0.054  -2.068 -10.998
   28   2HD2  ASN   4           HD21     ASN   4   1.152  -2.642  -9.786
   29    H    VAL   5           HN       VAL   5   2.165   1.633  -6.356
   30    HA   VAL   5           HA       VAL   5   1.964   4.114  -7.908
   31    HB   VAL   5           HB       VAL   5   1.392   3.771  -4.925
   32   1HG1  VAL   5           HG12     VAL   5   0.312   5.650  -7.157
   33   2HG1  VAL   5           HG13     VAL   5  -0.310   5.582  -5.468
   34   3HG1  VAL   5           HG11     VAL   5   1.357   6.149  -5.774
   35   1HG2  VAL   5           HG21     VAL   5  -0.438   3.058  -7.299
   36   2HG2  VAL   5           HG22     VAL   5   0.115   1.987  -5.947
   37   3HG2  VAL   5           HG23     VAL   5  -0.998   3.350  -5.612
   38    H    SER   6           HN       SER   6   2.920   5.933  -6.022
   39    HA   SER   6           HA       SER   6   5.645   5.059  -5.292
   40   1HB   SER   6           HB2      SER   6   6.399   7.477  -5.611
   41   2HB   SER   6           HB3      SER   6   6.126   6.490  -7.072
   42    HG   SER   6           HG       SER   6   4.063   7.461  -7.243
   43    H    CYS   7           HN       CYS   7   6.106   5.247  -3.251
   44    HA   CYS   7           HA       CYS   7   4.105   6.593  -1.490
   45   1HB   CYS   7           HB2      CYS   7   4.325   5.005   0.141
   46   2HB   CYS   7           HB3      CYS   7   4.428   4.067  -1.325
   47    H    THR   8           HN       THR   8   5.073   7.263   0.697
   48    HA   THR   8           HA       THR   8   7.887   8.032   0.619
   49    HB   THR   8           HB       THR   8   7.377  10.059   2.055
   50    HG1  THR   8           HG1      THR   8   5.167   9.558   2.393
   51   1HG2  THR   8           HG23     THR   8   8.155  10.177  -0.322
   52   2HG2  THR   8           HG21     THR   8   6.443  10.150  -0.888
   53   3HG2  THR   8           HG22     THR   8   7.044  11.528   0.105
   54    H    THR   9           HN       THR   9   4.882   7.676   2.620
   55    HA   THR   9           HA       THR   9   6.438   6.150   4.614
   56    HB   THR   9           HB       THR   9   4.783   7.050   6.326
   57    HG1  THR   9           HG1      THR   9   4.353   8.935   4.243
   58   1HG2  THR   9           HG23     THR   9   7.162   7.812   6.124
   59   2HG2  THR   9           HG21     THR   9   6.651   9.094   4.960
   60   3HG2  THR   9           HG22     THR   9   6.053   9.127   6.661
   61    H    SER  10           HN       SER  10   5.362   4.462   5.627
   62    HA   SER  10           HA       SER  10   3.198   3.186   4.168
   63   1HB   SER  10           HB2      SER  10   3.764   1.191   5.634
   64   2HB   SER  10           HB3      SER  10   5.063   1.751   4.532
   65    HG   SER  10           HG       SER  10   5.809   1.290   6.593
   66    H    LYS  11           HN       LYS  11   1.716   4.928   4.847
   67    HA   LYS  11           HA       LYS  11   0.063   4.211   6.972
   68   1HB   LYS  11           HB2      LYS  11   1.829   5.395   8.385
   69   2HB   LYS  11           HB3      LYS  11   1.629   6.856   7.379
   70   1HG   LYS  11           HG2      LYS  11   0.435   7.132   9.476
   71   2HG   LYS  11           HG3      LYS  11  -0.782   7.001   8.168
   72   1HD   LYS  11           HD2      LYS  11  -1.070   4.518   8.803
   73   2HD   LYS  11           HD3      LYS  11   0.078   4.799  10.156
   74   1HE   LYS  11           HE2      LYS  11  -2.236   4.875  11.004
   75   2HE   LYS  11           HE3      LYS  11  -1.551   6.549  11.089
   76   1HZ   LYS  11           HZ1      LYS  11  -2.679   7.030   9.007
   77   2HZ   LYS  11           HZ2      LYS  11  -3.326   5.461   8.964
   78   3HZ   LYS  11           HZ3      LYS  11  -3.770   6.527  10.209
   79    H    GLU  12           HN       GLU  12   1.344   6.759   4.774
   80    HA   GLU  12           HA       GLU  12  -0.799   8.199   4.111
   81   1HB   GLU  12           HB2      GLU  12   1.733   8.425   3.790
   82   2HB   GLU  12           HB3      GLU  12   1.622   7.349   2.381
   83   1HG   GLU  12           HG2      GLU  12  -0.023   9.067   1.349
   84   2HG   GLU  12           HG3      GLU  12   0.283  10.085   2.815
   85   1HN   ABA  13           HN       ABA  13   0.368   5.175   2.693
   86    HA   ABA  13           HA       ABA  13  -1.516   5.226   0.445
   87   1HB   ABA  13           HB3      ABA  13   0.828   5.227  -0.131
   88   2HB   ABA  13           HB2      ABA  13   0.101   3.677  -0.595
   89   1HG   ABA  13           HG1      ABA  13   1.888   4.228   1.886
   90   2HG   ABA  13           HG2      ABA  13   1.151   2.625   1.495
   91   3HG   ABA  13           HG3      ABA  13   2.347   3.360   0.369
   92    H    TRP  14           HN       TRP  14  -2.215   4.413   3.267
   93    HA   TRP  14           HA       TRP  14  -3.006   1.642   2.995
   94   1HB   TRP  14           HB2      TRP  14  -3.407   3.726   5.207
   95   2HB   TRP  14           HB3      TRP  14  -4.135   2.082   5.275
   96    HD1  TRP  14           HD1      TRP  14  -0.423   2.440   4.040
   97    HE1  TRP  14           HE1      TRP  14   0.919   0.973   5.563
   98    HE3  TRP  14           HE3      TRP  14  -4.002   1.518   7.581
   99    HZ2  TRP  14           HZ2      TRP  14   0.633  -0.287   8.120
  100    HZ3  TRP  14           HZ3      TRP  14  -3.405   0.125   9.532
  101    HH2  TRP  14           HH2      TRP  14  -1.128  -0.807   9.769
  102    H    SER  15           HN       SER  15  -4.424   4.849   2.314
  103    HA   SER  15           HA       SER  15  -7.112   3.845   2.055
  104   1HB   SER  15           HB2      SER  15  -7.627   6.258   1.489
  105   2HB   SER  15           HB3      SER  15  -6.934   5.983   3.119
  106    HG   SER  15           HG       SER  15  -5.992   7.726   2.078
  107    H    VAL  16           HN       VAL  16  -4.396   3.400   0.325
  108    HA   VAL  16           HA       VAL  16  -5.612   3.624  -2.340
  109    HB   VAL  16           HB       VAL  16  -2.798   2.772  -1.465
  110   1HG1  VAL  16           HG13     VAL  16  -4.045   3.226  -4.267
  111   2HG1  VAL  16           HG11     VAL  16  -2.282   3.044  -3.930
  112   3HG1  VAL  16           HG12     VAL  16  -3.387   1.669  -3.627
  113   1HG2  VAL  16           HG22     VAL  16  -3.886   5.381  -2.716
  114   2HG2  VAL  16           HG23     VAL  16  -3.234   5.198  -1.044
  115   3HG2  VAL  16           HG21     VAL  16  -2.147   4.985  -2.458
  116    H    CYS  17           HN       CYS  17  -4.440   1.141   0.057
  117    HA   CYS  17           HA       CYS  17  -5.435  -0.997  -1.649
  118   1HB   CYS  17           HB2      CYS  17  -3.925  -0.807   0.989
  119   2HB   CYS  17           HB3      CYS  17  -4.731  -2.353   0.605
  120    H    GLN  18           HN       GLN  18  -7.052   1.099   0.549
  121    HA   GLN  18           HA       GLN  18  -8.948  -0.827   1.511
  122   1HB   GLN  18           HB2      GLN  18  -7.960   1.034   2.869
  123   2HB   GLN  18           HB3      GLN  18  -8.779   2.227   1.814
  124   1HG   GLN  18           HG2      GLN  18 -11.000   1.307   2.525
  125   2HG   GLN  18           HG3      GLN  18 -10.156  -0.015   3.427
  126   1HE2  GLN  18           HE22     GLN  18  -9.949   3.937   4.868
  127   2HE2  GLN  18           HE21     GLN  18 -10.109   3.636   3.169
  128    H    ARG  19           HN       ARG  19  -8.688   1.809  -0.892
  129    HA   ARG  19           HA       ARG  19 -11.451   1.700  -1.705
  130   1HB   ARG  19           HB2      ARG  19  -9.040   3.346  -2.592
  131   2HB   ARG  19           HB3      ARG  19 -10.682   3.523  -3.300
  132   1HG   ARG  19           HG2      ARG  19 -10.886   3.605  -0.367
  133   2HG   ARG  19           HG3      ARG  19  -9.628   4.746  -0.930
  134   1HD   ARG  19           HD2      ARG  19 -11.808   5.892  -0.834
  135   2HD   ARG  19           HD3      ARG  19 -11.231   5.745  -2.559
  136    HE   ARG  19           HE       ARG  19 -12.973   3.512  -1.660
  137   1HH1  ARG  19           HH22     ARG  19 -12.997   6.819  -3.022
  138   2HH1  ARG  19           HH21     ARG  19 -14.556   6.642  -3.759
  139   1HH2  ARG  19           HH12     ARG  19 -15.067   3.303  -2.664
  140   2HH2  ARG  19           HH11     ARG  19 -15.741   4.630  -3.553
  141    H    LEU  20           HN       LEU  20  -8.554  -0.008  -2.533
  142    HA   LEU  20           HA       LEU  20  -9.205  -0.598  -5.280
  143   1HB   LEU  20           HB2      LEU  20  -6.882  -0.651  -3.426
  144   2HB   LEU  20           HB3      LEU  20  -6.958  -2.153  -4.368
  145    HG   LEU  20           HG       LEU  20  -6.997  -1.073  -6.407
  146   1HD1  LEU  20           HD13     LEU  20  -8.142   1.112  -6.029
  147   2HD1  LEU  20           HD11     LEU  20  -6.772   1.677  -5.004
  148   3HD1  LEU  20           HD12     LEU  20  -6.529   1.392  -6.763
  149   1HD2  LEU  20           HD21     LEU  20  -4.832  -1.651  -5.386
  150   2HD2  LEU  20           HD22     LEU  20  -4.651  -0.203  -6.447
  151   3HD2  LEU  20           HD23     LEU  20  -4.711  -0.006  -4.656
  152    H    HIS  21           HN       HIS  21  -8.375  -2.474  -2.337
  153    HA   HIS  21           HA       HIS  21  -9.859  -4.792  -3.301
  154   1HB   HIS  21           HB2      HIS  21  -7.634  -4.436  -1.205
  155   2HB   HIS  21           HB3      HIS  21  -8.389  -6.010  -1.662
  156    HD1  HIS  21           HD1      HIS  21  -7.867  -6.822  -4.186
  157    HD2  HIS  21           HD2      HIS  21  -5.681  -3.436  -3.001
  158    HE1  HIS  21           HE1      HIS  21  -5.956  -6.473  -5.844
  159    H    ASN  22           HN       ASN  22  -9.132  -4.737   0.004
  160    HA   ASN  22           HA       ASN  22 -11.284  -3.435   1.166
  161   1HB   ASN  22           HB2      ASN  22 -12.721  -5.521   1.882
  162   2HB   ASN  22           HB3      ASN  22 -12.978  -4.807   0.279
  163   1HD2  ASN  22           HD22     ASN  22 -11.280  -8.617   0.469
  164   2HD2  ASN  22           HD21     ASN  22 -11.108  -7.553   1.825
  165    H    THR  23           HN       THR  23  -8.830  -3.204   1.946
  166    HA   THR  23           HA       THR  23  -8.712  -4.737   4.397
  167    HB   THR  23           HB       THR  23  -7.445  -6.065   2.609
  168    HG1  THR  23           HG1      THR  23  -7.227  -6.325   4.805
  169   1HG2  THR  23           HG23     THR  23  -6.213  -4.161   1.492
  170   2HG2  THR  23           HG21     THR  23  -5.317  -3.869   3.042
  171   3HG2  THR  23           HG22     THR  23  -5.107  -5.418   2.180
  172    H    SER  24           HN       SER  24  -6.685  -3.870   5.638
  173    HA   SER  24           HA       SER  24  -6.172  -1.069   5.221
  174   1HB   SER  24           HB2      SER  24  -6.866  -0.340   7.521
  175   2HB   SER  24           HB3      SER  24  -8.246  -0.769   6.464
  176    HG   SER  24           HG       SER  24  -7.121  -2.306   8.550
  177    H    ARG  25           HN       ARG  25  -4.954  -3.829   5.194
  178    HA   ARG  25           HA       ARG  25  -2.656  -3.202   6.928
  179   1HB   ARG  25           HB2      ARG  25  -3.416  -5.975   5.826
  180   2HB   ARG  25           HB3      ARG  25  -1.917  -5.545   6.710
  181   1HG   ARG  25           HG2      ARG  25  -3.156  -6.618   8.320
  182   2HG   ARG  25           HG3      ARG  25  -3.400  -4.884   8.706
  183   1HD   ARG  25           HD2      ARG  25  -5.535  -6.227   8.932
  184   2HD   ARG  25           HD3      ARG  25  -5.674  -4.976   7.644
  185    HE   ARG  25           HE       ARG  25  -5.577  -6.624   5.939
  186   1HH1  ARG  25           HH22     ARG  25  -5.173  -8.187   9.139
  187   2HH1  ARG  25           HH21     ARG  25  -5.393  -9.794   8.525
  188   1HH2  ARG  25           HH12     ARG  25  -5.919  -8.786   5.158
  189   2HH2  ARG  25           HH11     ARG  25  -5.821 -10.134   6.238
  190    H    GLY  26           HN       GLY  26  -0.999  -2.554   5.785
  191   1HA   GLY  26           HA1      GLY  26  -0.407  -3.298   3.112
  192   2HA   GLY  26           HA2      GLY  26  -1.178  -1.647   3.265
  193    H    LYS  27           HN       LYS  27   1.549  -2.102   2.457
  194    HA   LYS  27           HA       LYS  27   2.829  -0.486   4.498
  195   1HB   LYS  27           HB2      LYS  27   3.362  -3.266   4.387
  196   2HB   LYS  27           HB3      LYS  27   4.757  -2.554   3.524
  197   1HG   LYS  27           HG2      LYS  27   5.147  -1.082   5.472
  198   2HG   LYS  27           HG3      LYS  27   3.714  -1.816   6.309
  199   1HD   LYS  27           HD2      LYS  27   6.078  -3.557   5.400
  200   2HD   LYS  27           HD3      LYS  27   6.167  -2.576   6.899
  201   1HE   LYS  27           HE2      LYS  27   5.509  -4.803   7.560
  202   2HE   LYS  27           HE3      LYS  27   4.097  -3.701   7.800
  203   1HZ   LYS  27           HZ1      LYS  27   3.203  -4.529   5.710
  204   2HZ   LYS  27           HZ2      LYS  27   4.520  -5.587   5.541
  205   3HZ   LYS  27           HZ3      LYS  27   3.446  -5.771   6.843
  206    H    CYS  28           HN       CYS  28   5.233  -0.228   3.319
  207    HA   CYS  28           HA       CYS  28   5.104  -0.147   0.492
  208   1HB   CYS  28           HB2      CYS  28   4.578   2.180   0.167
  209   2HB   CYS  28           HB3      CYS  28   4.035   2.142   1.830
  210    H    MET  29           HN       MET  29   7.318   0.320  -0.309
  211    HA   MET  29           HA       MET  29   9.204  -0.768   1.649
  212   1HB   MET  29           HB2      MET  29   8.502  -1.960  -0.529
  213   2HB   MET  29           HB3      MET  29   9.618  -0.835  -1.350
  214   1HG   MET  29           HG2      MET  29  11.344  -1.653   0.530
  215   2HG   MET  29           HG3      MET  29  10.088  -2.879   0.911
  216   1HE   MET  29           HE3      MET  29  12.670  -1.464  -1.711
  217   2HE   MET  29           HE1      MET  29  12.541  -2.600  -3.098
  218   3HE   MET  29           HE2      MET  29  11.194  -1.471  -2.743
  219    H    ASN  30           HN       ASN  30  11.051   0.396  -0.835
  220    HA   ASN  30           HA       ASN  30  11.827   2.730   0.666
  221   1HB   ASN  30           HB2      ASN  30  13.750   2.938  -0.810
  222   2HB   ASN  30           HB3      ASN  30  13.591   1.320  -0.065
  223   1HD2  ASN  30           HD22     ASN  30  14.751   0.678  -3.479
  224   2HD2  ASN  30           HD21     ASN  30  15.327   1.401  -2.014
  225    H    LYS  31           HN       LYS  31  10.182   2.139  -2.386
  226    HA   LYS  31           HA       LYS  31   9.919   5.039  -2.884
  227   1HB   LYS  31           HB2      LYS  31  10.730   2.816  -4.829
  228   2HB   LYS  31           HB3      LYS  31  10.289   4.478  -5.343
  229   1HG   LYS  31           HG2      LYS  31  12.119   5.448  -4.035
  230   2HG   LYS  31           HG3      LYS  31  12.642   3.808  -3.506
  231   1HD   LYS  31           HD2      LYS  31  13.004   3.135  -5.877
  232   2HD   LYS  31           HD3      LYS  31  12.542   4.793  -6.416
  233   1HE   LYS  31           HE2      LYS  31  14.482   5.753  -5.106
  234   2HE   LYS  31           HE3      LYS  31  14.947   4.081  -4.586
  235   1HZ   LYS  31           HZ2      LYS  31  14.825   5.067  -7.391
  236   2HZ   LYS  31           HZ3      LYS  31  16.226   4.862  -6.451
  237   3HZ   LYS  31           HZ1      LYS  31  15.291   3.512  -6.886
  238    H    LYS  32           HN       LYS  32   8.138   1.881  -2.855
  239    HA   LYS  32           HA       LYS  32   5.998   3.178  -4.391
  240   1HB   LYS  32           HB2      LYS  32   5.577   1.326  -5.671
  241   2HB   LYS  32           HB3      LYS  32   7.300   1.723  -5.915
  242   1HG   LYS  32           HG2      LYS  32   7.991  -0.166  -4.460
  243   2HG   LYS  32           HG3      LYS  32   6.272  -0.532  -4.068
  244   1HD   LYS  32           HD2      LYS  32   5.792  -0.803  -6.515
  245   2HD   LYS  32           HD3      LYS  32   7.569  -0.782  -6.815
  246   1HE   LYS  32           HE2      LYS  32   7.829  -2.808  -5.314
  247   2HE   LYS  32           HE3      LYS  32   6.053  -2.769  -4.960
  248   1HZ   LYS  32           HZ2      LYS  32   5.653  -3.106  -7.320
  249   2HZ   LYS  32           HZ3      LYS  32   7.324  -3.222  -7.608
  250   3HZ   LYS  32           HZ1      LYS  32   6.549  -4.371  -6.625
  251   1HN   ABA  33           HN       ABA  33   3.923   1.908  -4.156
  252    HA   ABA  33           HA       ABA  33   3.414   1.331  -1.367
  253   1HB   ABA  33           HB3      ABA  33   1.561   1.580  -3.792
  254   2HB   ABA  33           HB2      ABA  33   2.034   2.891  -2.658
  255   1HG   ABA  33           HG1      ABA  33  -0.146   2.105  -1.989
  256   2HG   ABA  33           HG2      ABA  33   0.416   0.396  -1.852
  257   3HG   ABA  33           HG3      ABA  33   1.091   1.657  -0.746
  258    H    ARG  34           HN       ARG  34   2.573  -0.726  -0.672
  259    HA   ARG  34           HA       ARG  34   2.320  -2.873  -2.638
  260   1HB   ARG  34           HB2      ARG  34   4.619  -2.944  -1.333
  261   2HB   ARG  34           HB3      ARG  34   3.633  -3.504   0.045
  262   1HG   ARG  34           HG2      ARG  34   2.708  -5.322  -1.619
  263   2HG   ARG  34           HG3      ARG  34   3.980  -4.793  -2.752
  264   1HD   ARG  34           HD2      ARG  34   4.513  -5.780   0.148
  265   2HD   ARG  34           HD3      ARG  34   4.431  -6.872  -1.280
  266    HE   ARG  34           HE       ARG  34   6.431  -6.023  -2.156
  267   1HH1  ARG  34           HH22     ARG  34   5.649  -4.229   0.851
  268   2HH1  ARG  34           HH21     ARG  34   7.278  -3.690   1.084
  269   1HH2  ARG  34           HH12     ARG  34   8.572  -5.311  -1.801
  270   2HH2  ARG  34           HH11     ARG  34   8.957  -4.309  -0.441
  271    H    CYS  35           HN       CYS  35   1.297  -4.805  -1.102
  272    HA   CYS  35           HA       CYS  35  -0.907  -3.737   0.430
  273   1HB   CYS  35           HB2      CYS  35  -1.203  -3.969  -2.309
  274   2HB   CYS  35           HB3      CYS  35  -1.637  -5.628  -1.881
  275    H    TYR  36           HN       TYR  36  -1.730  -5.336   1.700
  276    HA   TYR  36           HA       TYR  36  -0.315  -7.911   1.894
  277   1HB   TYR  36           HB2      TYR  36  -0.101  -5.549   3.852
  278   2HB   TYR  36           HB3      TYR  36   0.074  -7.245   4.468
  279    HD1  TYR  36           HD1      TYR  36   1.693  -8.759   2.965
  280    HD2  TYR  36           HD2      TYR  36   1.907  -4.493   3.345
  281    HE1  TYR  36           HE1      TYR  36   4.129  -8.840   2.528
  282    HE2  TYR  36           HE2      TYR  36   4.343  -4.558   2.915
  283    HH   TYR  36           HH       TYR  36   6.043  -7.681   2.372
  284    H    SER  37           HN       SER  37  -2.585  -8.131   1.014
  285    HA   SER  37           HA       SER  37  -4.703  -7.978   3.006
  286   1HB   SER  37           HB2      SER  37  -6.187  -8.754   1.151
  287   2HB   SER  37           HB3      SER  37  -5.301  -7.235   0.768
  288    HG   SER  37           HG       SER  37  -5.263  -8.700  -0.929
   
  No H/Q in entry =         288
  Start of MODEL   24
    1    HA   PCA   1           HA       PGL   1  -3.078  -7.668  -4.706
    2   1HB   PCA   1           HB2      PGL   1  -3.411  -6.580  -2.079
    3   2HB   PCA   1           HB3      PGL   1  -4.534  -7.683  -2.929
    4   1HG   PCA   1           HG2      PGL   1  -2.493  -8.411  -0.799
    5   2HG   PCA   1           HG3      PGL   1  -4.136  -9.125  -1.136
    6    HN   PCA   1           HN       PGL   1  -1.678  -9.614  -4.409
    7    H    PHE   2           HN       PHE   2  -1.822  -6.085  -5.616
    8    HA   PHE   2           HA       PHE   2   0.325  -4.798  -4.135
    9   1HB   PHE   2           HB2      PHE   2   0.571  -6.141  -6.939
   10   2HB   PHE   2           HB3      PHE   2   1.772  -4.988  -6.248
   11    HD1  PHE   2           HD2      PHE   2   2.752  -5.591  -3.917
   12    HD2  PHE   2           HD1      PHE   2   0.828  -8.438  -6.494
   13    HE1  PHE   2           HE2      PHE   2   3.854  -7.446  -2.695
   14    HE2  PHE   2           HE1      PHE   2   1.933 -10.287  -5.279
   15    HZ   PHE   2           HZ       PHE   2   3.445  -9.794  -3.373
   16    H    THR   3           HN       THR   3   0.720  -2.675  -5.023
   17    HA   THR   3           HA       THR   3  -1.126  -1.779  -7.133
   18    HB   THR   3           HB       THR   3  -1.566   0.289  -6.195
   19    HG1  THR   3           HG1      THR   3  -0.086  -0.160  -3.848
   20   1HG2  THR   3           HG21     THR   3  -2.902  -1.631  -5.203
   21   2HG2  THR   3           HG22     THR   3  -1.750  -1.687  -3.814
   22   3HG2  THR   3           HG23     THR   3  -2.753  -0.230  -4.079
   23    H    ASN   4           HN       ASN   4  -0.104   0.471  -7.989
   24    HA   ASN   4           HA       ASN   4   2.807   0.410  -8.033
   25   1HB   ASN   4           HB2      ASN   4   2.749   0.793 -10.571
   26   2HB   ASN   4           HB3      ASN   4   2.454  -0.873 -10.012
   27   1HD2  ASN   4           HD22     ASN   4  -0.783  -1.193 -11.397
   28   2HD2  ASN   4           HD21     ASN   4   0.486  -1.898 -10.451
   29    H    VAL   5           HN       VAL   5   1.326   1.874  -6.413
   30    HA   VAL   5           HA       VAL   5   1.255   4.629  -7.447
   31    HB   VAL   5           HB       VAL   5   0.117   3.157  -5.007
   32   1HG1  VAL   5           HG11     VAL   5   0.225   6.210  -5.463
   33   2HG1  VAL   5           HG12     VAL   5  -0.883   5.378  -4.304
   34   3HG1  VAL   5           HG13     VAL   5   0.892   5.266  -4.064
   35   1HG2  VAL   5           HG21     VAL   5  -1.159   4.730  -7.336
   36   2HG2  VAL   5           HG22     VAL   5  -1.181   2.939  -7.104
   37   3HG2  VAL   5           HG23     VAL   5  -2.053   4.004  -5.950
   38    H    SER   6           HN       SER   6   2.545   6.211  -5.981
   39    HA   SER   6           HA       SER   6   5.051   4.967  -5.127
   40   1HB   SER   6           HB2      SER   6   5.959   7.326  -5.123
   41   2HB   SER   6           HB3      SER   6   5.450   6.654  -6.698
   42    HG   SER   6           HG       SER   6   3.496   7.769  -6.482
   43    H    CYS   7           HN       CYS   7   5.912   5.098  -3.083
   44    HA   CYS   7           HA       CYS   7   4.388   6.480  -0.944
   45   1HB   CYS   7           HB2      CYS   7   3.228   4.520  -0.907
   46   2HB   CYS   7           HB3      CYS   7   4.627   3.487  -1.120
   47    H    THR   8           HN       THR   8   5.601   6.878   0.860
   48    HA   THR   8           HA       THR   8   8.436   6.141   0.943
   49    HB   THR   8           HB       THR   8   8.964   8.448   1.909
   50    HG1  THR   8           HG1      THR   8   7.642  10.093   1.136
   51   1HG2  THR   8           HG22     THR   8   9.724   7.626  -0.334
   52   2HG2  THR   8           HG23     THR   8   8.217   8.272  -1.085
   53   3HG2  THR   8           HG21     THR   8   9.399   9.397  -0.321
   54    H    THR   9           HN       THR   9   5.548   7.502   2.627
   55    HA   THR   9           HA       THR   9   6.448   6.365   5.180
   56    HB   THR   9           HB       THR   9   4.596   7.864   6.129
   57    HG1  THR   9           HG1      THR   9   3.596   8.279   4.106
   58   1HG2  THR   9           HG22     THR   9   7.046   8.328   6.284
   59   2HG2  THR   9           HG23     THR   9   6.999   9.160   4.682
   60   3HG2  THR   9           HG21     THR   9   6.080   9.837   6.080
   61    H    SER  10           HN       SER  10   5.424   4.700   6.095
   62    HA   SER  10           HA       SER  10   3.228   3.382   4.740
   63   1HB   SER  10           HB2      SER  10   3.731   1.514   6.392
   64   2HB   SER  10           HB3      SER  10   5.054   1.952   5.262
   65    HG   SER  10           HG       SER  10   4.820   2.841   7.937
   66    H    LYS  11           HN       LYS  11   1.721   5.076   5.184
   67    HA   LYS  11           HA       LYS  11   0.077   4.859   7.424
   68   1HB   LYS  11           HB2      LYS  11   1.925   6.077   8.591
   69   2HB   LYS  11           HB3      LYS  11   1.919   7.354   7.352
   70   1HG   LYS  11           HG2      LYS  11  -0.675   6.723   8.833
   71   2HG   LYS  11           HG3      LYS  11   0.655   7.452   9.788
   72   1HD   LYS  11           HD2      LYS  11  -0.537   8.738   7.256
   73   2HD   LYS  11           HD3      LYS  11  -1.007   9.119   8.947
   74   1HE   LYS  11           HE2      LYS  11   1.332   9.873   9.456
   75   2HE   LYS  11           HE3      LYS  11   1.823   9.523   7.748
   76   1HZ   LYS  11           HZ1      LYS  11  -0.275  11.445   8.602
   77   2HZ   LYS  11           HZ2      LYS  11   1.301  11.825   8.094
   78   3HZ   LYS  11           HZ3      LYS  11   0.204  11.122   7.006
   79    H    GLU  12           HN       GLU  12   1.482   6.881   4.791
   80    HA   GLU  12           HA       GLU  12  -0.650   8.358   4.044
   81   1HB   GLU  12           HB2      GLU  12   1.958   8.293   3.565
   82   2HB   GLU  12           HB3      GLU  12   1.535   7.457   2.073
   83   1HG   GLU  12           HG2      GLU  12   0.429  10.200   3.014
   84   2HG   GLU  12           HG3      GLU  12   1.865   9.988   1.949
   85   1HN   ABA  13           HN       ABA  13   0.308   5.121   2.823
   86    HA   ABA  13           HA       ABA  13  -1.696   5.199   0.678
   87   1HB   ABA  13           HB3      ABA  13   0.611   5.014  -0.018
   88   2HB   ABA  13           HB2      ABA  13  -0.306   3.551  -0.425
   89   1HG   ABA  13           HG1      ABA  13   0.783   2.345   1.510
   90   2HG   ABA  13           HG2      ABA  13   1.960   3.077   0.357
   91   3HG   ABA  13           HG3      ABA  13   1.650   3.887   1.941
   92    H    TRP  14           HN       TRP  14  -2.518   4.639   3.431
   93    HA   TRP  14           HA       TRP  14  -3.263   1.847   3.492
   94   1HB   TRP  14           HB2      TRP  14  -3.716   4.234   5.370
   95   2HB   TRP  14           HB3      TRP  14  -4.514   2.645   5.655
   96    HD1  TRP  14           HD1      TRP  14  -0.698   3.299   4.762
   97    HE1  TRP  14           HE1      TRP  14   0.604   1.666   6.177
   98    HE3  TRP  14           HE3      TRP  14  -4.525   1.626   7.715
   99    HZ2  TRP  14           HZ2      TRP  14   0.116  -0.139   8.341
  100    HZ3  TRP  14           HZ3      TRP  14  -4.057  -0.149   9.367
  101    HH2  TRP  14           HH2      TRP  14  -1.776  -1.076   9.608
  102    H    SER  15           HN       SER  15  -4.761   4.930   2.458
  103    HA   SER  15           HA       SER  15  -7.339   3.722   2.008
  104   1HB   SER  15           HB2      SER  15  -7.978   6.034   1.251
  105   2HB   SER  15           HB3      SER  15  -7.398   5.932   2.944
  106    HG   SER  15           HG       SER  15  -5.851   6.736   0.716
  107    H    VAL  16           HN       VAL  16  -4.516   3.216   0.564
  108    HA   VAL  16           HA       VAL  16  -5.592   3.221  -2.187
  109    HB   VAL  16           HB       VAL  16  -2.703   2.780  -1.248
  110   1HG1  VAL  16           HG11     VAL  16  -3.954   3.204  -4.055
  111   2HG1  VAL  16           HG12     VAL  16  -2.189   3.175  -3.689
  112   3HG1  VAL  16           HG13     VAL  16  -3.168   1.695  -3.459
  113   1HG2  VAL  16           HG23     VAL  16  -4.088   5.284  -2.418
  114   2HG2  VAL  16           HG21     VAL  16  -3.418   5.117  -0.752
  115   3HG2  VAL  16           HG22     VAL  16  -2.315   5.086  -2.168
  116    H    CYS  17           HN       CYS  17  -4.409   1.014   0.466
  117    HA   CYS  17           HA       CYS  17  -4.951  -1.323  -1.090
  118   1HB   CYS  17           HB2      CYS  17  -4.138  -0.690   1.745
  119   2HB   CYS  17           HB3      CYS  17  -4.840  -2.303   1.466
  120    H    GLN  18           HN       GLN  18  -7.074   0.868   0.631
  121    HA   GLN  18           HA       GLN  18  -9.100  -1.067   1.193
  122   1HB   GLN  18           HB2      GLN  18  -8.344   0.792   2.701
  123   2HB   GLN  18           HB3      GLN  18  -9.034   1.983   1.559
  124   1HG   GLN  18           HG2      GLN  18 -11.308   1.023   1.911
  125   2HG   GLN  18           HG3      GLN  18 -10.597  -0.332   2.871
  126   1HE2  GLN  18           HE22     GLN  18 -11.542   3.170   4.735
  127   2HE2  GLN  18           HE21     GLN  18 -12.047   2.761   3.130
  128    H    ARG  19           HN       ARG  19  -8.396   1.517  -1.185
  129    HA   ARG  19           HA       ARG  19 -11.040   1.445  -2.352
  130   1HB   ARG  19           HB2      ARG  19  -8.538   3.063  -3.068
  131   2HB   ARG  19           HB3      ARG  19 -10.159   3.289  -3.816
  132   1HG   ARG  19           HG2      ARG  19  -9.426   3.710  -0.861
  133   2HG   ARG  19           HG3      ARG  19  -9.667   4.991  -2.097
  134   1HD   ARG  19           HD2      ARG  19 -11.797   3.043  -0.994
  135   2HD   ARG  19           HD3      ARG  19 -11.607   4.793  -0.586
  136    HE   ARG  19           HE       ARG  19 -12.234   3.718  -3.386
  137   1HH1  ARG  19           HH22     ARG  19 -12.803   6.202  -0.868
  138   2HH1  ARG  19           HH21     ARG  19 -13.909   7.109  -1.846
  139   1HH2  ARG  19           HH12     ARG  19 -13.714   4.945  -4.655
  140   2HH2  ARG  19           HH11     ARG  19 -14.432   6.387  -4.020
  141    H    LEU  20           HN       LEU  20  -8.032  -0.207  -2.890
  142    HA   LEU  20           HA       LEU  20  -8.520  -0.846  -5.689
  143   1HB   LEU  20           HB2      LEU  20  -6.291  -1.038  -3.692
  144   2HB   LEU  20           HB3      LEU  20  -6.338  -2.403  -4.844
  145    HG   LEU  20           HG       LEU  20  -4.842  -0.616  -5.442
  146   1HD1  LEU  20           HD11     LEU  20  -5.689  -2.249  -7.105
  147   2HD1  LEU  20           HD12     LEU  20  -7.052  -1.148  -7.528
  148   3HD1  LEU  20           HD13     LEU  20  -5.352  -0.658  -7.881
  149   1HD2  LEU  20           HD21     LEU  20  -6.141   1.424  -4.799
  150   2HD2  LEU  20           HD22     LEU  20  -5.572   1.499  -6.504
  151   3HD2  LEU  20           HD23     LEU  20  -7.295   1.121  -6.147
  152    H    HIS  21           HN       HIS  21  -7.866  -2.617  -2.624
  153    HA   HIS  21           HA       HIS  21  -9.425  -4.913  -3.545
  154   1HB   HIS  21           HB2      HIS  21  -7.402  -4.630  -1.252
  155   2HB   HIS  21           HB3      HIS  21  -8.169  -6.159  -1.835
  156    HD1  HIS  21           HD1      HIS  21  -7.484  -6.758  -4.459
  157    HD2  HIS  21           HD2      HIS  21  -5.188  -3.759  -2.636
  158    HE1  HIS  21           HE1      HIS  21  -5.389  -6.390  -5.874
  159    H    ASN  22           HN       ASN  22  -8.968  -4.719  -0.216
  160    HA   ASN  22           HA       ASN  22 -11.087  -3.260   0.746
  161   1HB   ASN  22           HB2      ASN  22 -12.802  -5.125   1.344
  162   2HB   ASN  22           HB3      ASN  22 -12.828  -4.465  -0.300
  163   1HD2  ASN  22           HD22     ASN  22 -12.536  -7.582  -1.875
  164   2HD2  ASN  22           HD21     ASN  22 -13.000  -5.914  -1.929
  165    H    THR  23           HN       THR  23  -8.773  -3.221   1.786
  166    HA   THR  23           HA       THR  23  -9.018  -4.731   4.244
  167    HB   THR  23           HB       THR  23  -7.624  -6.089   2.524
  168    HG1  THR  23           HG1      THR  23  -7.734  -6.482   4.703
  169   1HG2  THR  23           HG23     THR  23  -6.184  -4.120   1.745
  170   2HG2  THR  23           HG21     THR  23  -5.385  -4.155   3.374
  171   3HG2  THR  23           HG22     THR  23  -5.270  -5.570   2.289
  172    H    SER  24           HN       SER  24  -6.567  -3.795   5.360
  173    HA   SER  24           HA       SER  24  -6.640  -0.893   4.972
  174   1HB   SER  24           HB2      SER  24  -6.684  -0.458   7.433
  175   2HB   SER  24           HB3      SER  24  -8.214  -1.135   6.787
  176    HG   SER  24           HG       SER  24  -7.580  -2.095   8.717
  177    H    ARG  25           HN       ARG  25  -4.857  -3.854   5.361
  178    HA   ARG  25           HA       ARG  25  -2.576  -2.557   6.544
  179   1HB   ARG  25           HB2      ARG  25  -2.456  -5.467   5.775
  180   2HB   ARG  25           HB3      ARG  25  -1.576  -4.528   7.024
  181   1HG   ARG  25           HG2      ARG  25  -3.098  -5.813   8.278
  182   2HG   ARG  25           HG3      ARG  25  -3.979  -4.253   8.110
  183   1HD   ARG  25           HD2      ARG  25  -4.646  -5.588   5.764
  184   2HD   ARG  25           HD3      ARG  25  -4.537  -7.010   6.873
  185    HE   ARG  25           HE       ARG  25  -6.557  -4.862   6.740
  186   1HH1  ARG  25           HH12     ARG  25  -5.144  -7.342   8.907
  187   2HH1  ARG  25           HH11     ARG  25  -6.539  -7.435   9.930
  188   1HH2  ARG  25           HH22     ARG  25  -8.403  -4.975   8.172
  189   2HH2  ARG  25           HH21     ARG  25  -8.409  -6.079   9.508
  190    H    GLY  26           HN       GLY  26  -1.144  -1.598   5.285
  191   1HA   GLY  26           HA1      GLY  26  -0.172  -2.638   2.818
  192   2HA   GLY  26           HA2      GLY  26  -1.404  -1.320   2.593
  193    H    LYS  27           HN       LYS  27   1.858  -2.098   3.206
  194    HA   LYS  27           HA       LYS  27   2.545   0.610   4.140
  195   1HB   LYS  27           HB2      LYS  27   4.275  -1.937   4.255
  196   2HB   LYS  27           HB3      LYS  27   4.624  -0.331   4.980
  197   1HG   LYS  27           HG2      LYS  27   2.524  -0.631   6.407
  198   2HG   LYS  27           HG3      LYS  27   2.423  -2.319   5.770
  199   1HD   LYS  27           HD2      LYS  27   4.649  -2.839   6.720
  200   2HD   LYS  27           HD3      LYS  27   4.848  -1.131   7.259
  201   1HE   LYS  27           HE2      LYS  27   2.882  -1.371   8.807
  202   2HE   LYS  27           HE3      LYS  27   2.683  -3.096   8.288
  203   1HZ   LYS  27           HZ3      LYS  27   5.094  -1.928   9.585
  204   2HZ   LYS  27           HZ1      LYS  27   3.905  -2.875  10.340
  205   3HZ   LYS  27           HZ2      LYS  27   4.880  -3.549   9.125
  206    H    CYS  28           HN       CYS  28   5.366   0.016   3.196
  207    HA   CYS  28           HA       CYS  28   5.177  -0.520   0.397
  208   1HB   CYS  28           HB2      CYS  28   6.168   1.732  -0.349
  209   2HB   CYS  28           HB3      CYS  28   4.481   1.727   0.180
  210    H    MET  29           HN       MET  29   7.413  -0.130  -0.615
  211    HA   MET  29           HA       MET  29   9.421  -1.210   1.189
  212   1HB   MET  29           HB2      MET  29   8.705  -2.294  -1.054
  213   2HB   MET  29           HB3      MET  29   9.697  -1.044  -1.831
  214   1HG   MET  29           HG2      MET  29  11.327  -1.999   0.288
  215   2HG   MET  29           HG3      MET  29  10.397  -3.454  -0.146
  216   1HE   MET  29           HE1      MET  29  13.521  -1.840  -0.316
  217   2HE   MET  29           HE2      MET  29  13.347  -3.618  -0.126
  218   3HE   MET  29           HE3      MET  29  14.327  -2.945  -1.477
  219    H    ASN  30           HN       ASN  30  11.013   0.216  -1.363
  220    HA   ASN  30           HA       ASN  30  11.826   2.493   0.209
  221   1HB   ASN  30           HB2      ASN  30  13.513   2.881  -1.664
  222   2HB   ASN  30           HB3      ASN  30  13.649   1.419  -0.653
  223   1HD2  ASN  30           HD22     ASN  30  14.148  -0.493  -3.540
  224   2HD2  ASN  30           HD21     ASN  30  14.719   0.053  -1.999
  225    H    LYS  31           HN       LYS  31   9.986   2.001  -2.773
  226    HA   LYS  31           HA       LYS  31   9.545   4.919  -3.008
  227   1HB   LYS  31           HB2      LYS  31  10.526   2.979  -5.157
  228   2HB   LYS  31           HB3      LYS  31   9.970   4.646  -5.501
  229   1HG   LYS  31           HG2      LYS  31  11.749   5.623  -4.126
  230   2HG   LYS  31           HG3      LYS  31  12.376   3.987  -3.720
  231   1HD   LYS  31           HD2      LYS  31  12.832   3.513  -6.086
  232   2HD   LYS  31           HD3      LYS  31  12.191   5.131  -6.561
  233   1HE   LYS  31           HE2      LYS  31  13.998   6.253  -5.205
  234   2HE   LYS  31           HE3      LYS  31  14.648   4.631  -4.731
  235   1HZ   LYS  31           HZ2      LYS  31  14.449   5.698  -7.501
  236   2HZ   LYS  31           HZ3      LYS  31  15.852   5.600  -6.550
  237   3HZ   LYS  31           HZ1      LYS  31  15.066   4.181  -7.049
  238    H    LYS  32           HN       LYS  32   7.859   1.777  -3.067
  239    HA   LYS  32           HA       LYS  32   5.620   3.148  -4.304
  240   1HB   LYS  32           HB2      LYS  32   5.158   1.655  -6.040
  241   2HB   LYS  32           HB3      LYS  32   6.825   2.244  -6.239
  242   1HG   LYS  32           HG2      LYS  32   7.177   0.098  -6.749
  243   2HG   LYS  32           HG3      LYS  32   7.495   0.005  -4.974
  244   1HD   LYS  32           HD2      LYS  32   5.201  -0.994  -4.661
  245   2HD   LYS  32           HD3      LYS  32   4.810  -0.657  -6.378
  246   1HE   LYS  32           HE2      LYS  32   5.283  -3.061  -6.071
  247   2HE   LYS  32           HE3      LYS  32   6.573  -2.318  -7.099
  248   1HZ   LYS  32           HZ1      LYS  32   7.969  -2.191  -5.138
  249   2HZ   LYS  32           HZ2      LYS  32   6.759  -2.912  -4.189
  250   3HZ   LYS  32           HZ3      LYS  32   7.475  -3.784  -5.458
  251   1HN   ABA  33           HN       ABA  33   3.639   2.279  -3.934
  252    HA   ABA  33           HA       ABA  33   3.211   1.315  -1.361
  253   1HB   ABA  33           HB3      ABA  33   1.425   1.951  -3.734
  254   2HB   ABA  33           HB2      ABA  33   1.880   3.021  -2.387
  255   1HG   ABA  33           HG1      ABA  33   0.750   1.472  -0.766
  256   2HG   ABA  33           HG2      ABA  33  -0.376   2.234  -1.965
  257   3HG   ABA  33           HG3      ABA  33   0.092   0.505  -2.132
  258    H    ARG  34           HN       ARG  34   2.532  -0.660  -0.630
  259    HA   ARG  34           HA       ARG  34   2.259  -2.912  -2.494
  260   1HB   ARG  34           HB2      ARG  34   4.531  -2.355  -1.005
  261   2HB   ARG  34           HB3      ARG  34   3.661  -3.394   0.151
  262   1HG   ARG  34           HG2      ARG  34   3.591  -5.215  -1.544
  263   2HG   ARG  34           HG3      ARG  34   4.180  -4.074  -2.809
  264   1HD   ARG  34           HD2      ARG  34   6.332  -3.768  -1.527
  265   2HD   ARG  34           HD3      ARG  34   5.801  -5.066  -0.367
  266    HE   ARG  34           HE       ARG  34   5.460  -6.372  -2.730
  267   1HH1  ARG  34           HH12     ARG  34   8.247  -4.387  -1.671
  268   2HH1  ARG  34           HH11     ARG  34   9.387  -5.246  -2.652
  269   1HH2  ARG  34           HH22     ARG  34   7.007  -7.495  -4.030
  270   2HH2  ARG  34           HH21     ARG  34   8.675  -7.032  -4.006
  271    H    CYS  35           HN       CYS  35   1.491  -4.837  -0.703
  272    HA   CYS  35           HA       CYS  35  -0.501  -3.754   1.043
  273   1HB   CYS  35           HB2      CYS  35  -1.408  -4.124  -1.511
  274   2HB   CYS  35           HB3      CYS  35  -1.677  -5.768  -0.889
  275    H    TYR  36           HN       TYR  36  -1.049  -5.157   2.550
  276    HA   TYR  36           HA       TYR  36   0.791  -7.442   2.978
  277   1HB   TYR  36           HB2      TYR  36   0.338  -4.799   4.439
  278   2HB   TYR  36           HB3      TYR  36   0.846  -6.222   5.437
  279    HD1  TYR  36           HD1      TYR  36   1.756  -3.865   2.800
  280    HD2  TYR  36           HD2      TYR  36   3.058  -7.206   5.114
  281    HE1  TYR  36           HE1      TYR  36   4.131  -3.295   2.263
  282    HE2  TYR  36           HE2      TYR  36   5.427  -6.710   4.530
  283    HH   TYR  36           HH       TYR  36   6.282  -3.878   2.487
  284    H    SER  37           HN       SER  37  -1.864  -7.338   2.079
  285    HA   SER  37           HA       SER  37  -3.826  -7.681   4.036
  286   1HB   SER  37           HB2      SER  37  -4.213  -7.247   1.543
  287   2HB   SER  37           HB3      SER  37  -3.828  -8.974   1.246
  288    HG   SER  37           HG       SER  37  -6.044  -8.552   1.457
   
  No H/Q in entry =         288
  Start of MODEL   25
    1    HA   PCA   1           HA       PGL   1  -1.625  -8.874  -6.904
    2   1HB   PCA   1           HB2      PGL   1  -2.844  -6.405  -8.286
    3   2HB   PCA   1           HB3      PGL   1  -1.840  -7.720  -9.010
    4   1HG   PCA   1           HG2      PGL   1  -4.644  -7.586  -9.168
    5   2HG   PCA   1           HG3      PGL   1  -3.751  -9.176  -9.129
    6    HN   PCA   1           HN       PGL   1  -3.588  -8.504  -5.286
    7    H    PHE   2           HN       PHE   2  -0.354  -6.446  -7.614
    8    HA   PHE   2           HA       PHE   2   0.139  -5.123  -5.032
    9   1HB   PHE   2           HB2      PHE   2   1.906  -5.227  -7.576
   10   2HB   PHE   2           HB3      PHE   2   2.376  -4.566  -5.963
   11    HD1  PHE   2           HD1      PHE   2   1.794  -6.463  -3.972
   12    HD2  PHE   2           HD2      PHE   2   2.909  -7.223  -8.057
   13    HE1  PHE   2           HE1      PHE   2   2.642  -8.692  -3.331
   14    HE2  PHE   2           HE2      PHE   2   3.767  -9.445  -7.407
   15    HZ   PHE   2           HZ       PHE   2   3.631 -10.188  -5.045
   16    H    THR   3           HN       THR   3   0.678  -2.720  -5.275
   17    HA   THR   3           HA       THR   3  -0.977  -1.461  -7.354
   18    HB   THR   3           HB       THR   3  -1.494   0.284  -6.035
   19    HG1  THR   3           HG1      THR   3  -0.397   0.651  -4.003
   20   1HG2  THR   3           HG21     THR   3  -2.369  -1.942  -5.058
   21   2HG2  THR   3           HG22     THR   3  -1.040  -1.871  -3.853
   22   3HG2  THR   3           HG23     THR   3  -2.288  -0.582  -3.877
   23    H    ASN   4           HN       ASN   4  -0.026   0.720  -8.136
   24    HA   ASN   4           HA       ASN   4   2.899   0.788  -8.225
   25   1HB   ASN   4           HB2      ASN   4   2.742   1.384 -10.727
   26   2HB   ASN   4           HB3      ASN   4   2.517  -0.333 -10.303
   27   1HD2  ASN   4           HD22     ASN   4  -0.777  -0.643 -11.555
   28   2HD2  ASN   4           HD21     ASN   4   0.532  -1.373 -10.689
   29    H    VAL   5           HN       VAL   5   1.440   2.027  -6.440
   30    HA   VAL   5           HA       VAL   5   1.319   4.867  -7.206
   31    HB   VAL   5           HB       VAL   5   0.229   3.176  -4.893
   32   1HG1  VAL   5           HG12     VAL   5   0.353   6.256  -5.045
   33   2HG1  VAL   5           HG13     VAL   5  -0.732   5.320  -3.953
   34   3HG1  VAL   5           HG11     VAL   5   1.044   5.177  -3.762
   35   1HG2  VAL   5           HG22     VAL   5  -1.066   4.967  -7.049
   36   2HG2  VAL   5           HG23     VAL   5  -1.129   3.166  -6.953
   37   3HG2  VAL   5           HG21     VAL   5  -1.952   4.164  -5.704
   38    H    SER   6           HN       SER   6   2.673   6.309  -5.793
   39    HA   SER   6           HA       SER   6   5.168   5.012  -4.990
   40   1HB   SER   6           HB2      SER   6   6.088   7.378  -4.941
   41   2HB   SER   6           HB3      SER   6   5.575   6.736  -6.526
   42    HG   SER   6           HG       SER   6   4.008   8.411  -4.864
   43    H    CYS   7           HN       CYS   7   6.004   5.036  -2.961
   44    HA   CYS   7           HA       CYS   7   4.501   6.395  -0.796
   45   1HB   CYS   7           HB2      CYS   7   3.296   4.488  -0.803
   46   2HB   CYS   7           HB3      CYS   7   4.661   3.423  -1.039
   47    H    THR   8           HN       THR   8   5.632   6.837   0.965
   48    HA   THR   8           HA       THR   8   8.462   6.134   1.201
   49    HB   THR   8           HB       THR   8   8.922   8.489   2.103
   50    HG1  THR   8           HG1      THR   8   6.609   9.025   0.539
   51   1HG2  THR   8           HG22     THR   8   9.801   7.569  -0.061
   52   2HG2  THR   8           HG23     THR   8   8.340   8.186  -0.918
   53   3HG2  THR   8           HG21     THR   8   9.480   9.339  -0.133
   54    H    THR   9           HN       THR   9   5.458   7.480   2.700
   55    HA   THR   9           HA       THR   9   6.276   6.484   5.340
   56    HB   THR   9           HB       THR   9   4.304   7.980   6.101
   57    HG1  THR   9           HG1      THR   9   3.473   8.336   3.997
   58   1HG2  THR   9           HG22     THR   9   6.741   8.450   6.436
   59   2HG2  THR   9           HG23     THR   9   6.798   9.282   4.833
   60   3HG2  THR   9           HG21     THR   9   5.765   9.940   6.162
   61    H    SER  10           HN       SER  10   5.185   4.846   6.303
   62    HA   SER  10           HA       SER  10   3.159   3.421   4.791
   63   1HB   SER  10           HB2      SER  10   3.560   1.590   6.492
   64   2HB   SER  10           HB3      SER  10   4.967   2.056   5.485
   65    HG   SER  10           HG       SER  10   5.509   1.812   7.640
   66    H    LYS  11           HN       LYS  11   1.593   5.126   5.083
   67    HA   LYS  11           HA       LYS  11  -0.352   4.583   6.950
   68   1HB   LYS  11           HB2      LYS  11   1.216   5.882   8.542
   69   2HB   LYS  11           HB3      LYS  11   0.905   7.339   7.560
   70   1HG   LYS  11           HG2      LYS  11  -1.555   7.131   8.118
   71   2HG   LYS  11           HG3      LYS  11  -1.219   5.563   8.935
   72   1HD   LYS  11           HD2      LYS  11   0.252   6.774  10.597
   73   2HD   LYS  11           HD3      LYS  11  -0.165   8.327   9.797
   74   1HE   LYS  11           HE2      LYS  11  -1.557   8.021  11.829
   75   2HE   LYS  11           HE3      LYS  11  -2.612   7.936  10.361
   76   1HZ   LYS  11           HZ2      LYS  11  -1.524   5.603  11.850
   77   2HZ   LYS  11           HZ3      LYS  11  -3.097   6.229  11.991
   78   3HZ   LYS  11           HZ1      LYS  11  -2.578   5.557  10.519
   79    H    GLU  12           HN       GLU  12   1.262   6.904   4.740
   80    HA   GLU  12           HA       GLU  12  -0.540   8.365   3.576
   81   1HB   GLU  12           HB2      GLU  12   2.001   8.027   3.390
   82   2HB   GLU  12           HB3      GLU  12   1.704   6.760   2.181
   83   1HG   GLU  12           HG2      GLU  12   0.480   8.595   0.777
   84   2HG   GLU  12           HG3      GLU  12   1.020   9.756   2.052
   85   1HN   ABA  13           HN       ABA  13   0.146   4.967   2.680
   86    HA   ABA  13           HA       ABA  13  -1.633   5.066   0.341
   87   1HB   ABA  13           HB3      ABA  13   0.779   4.899  -0.123
   88   2HB   ABA  13           HB2      ABA  13  -0.056   3.414  -0.599
   89   1HG   ABA  13           HG1      ABA  13   0.800   2.291   1.542
   90   2HG   ABA  13           HG2      ABA  13   2.089   2.951   0.472
   91   3HG   ABA  13           HG3      ABA  13   1.624   3.857   1.955
   92    H    TRP  14           HN       TRP  14  -2.322   4.405   3.227
   93    HA   TRP  14           HA       TRP  14  -3.085   1.627   3.171
   94   1HB   TRP  14           HB2      TRP  14  -3.361   3.905   5.207
   95   2HB   TRP  14           HB3      TRP  14  -4.108   2.295   5.482
   96    HD1  TRP  14           HD1      TRP  14  -0.412   2.856   4.131
   97    HE1  TRP  14           HE1      TRP  14   1.018   1.255   5.442
   98    HE3  TRP  14           HE3      TRP  14  -3.853   1.476   7.657
   99    HZ2  TRP  14           HZ2      TRP  14   0.798  -0.344   7.806
  100    HZ3  TRP  14           HZ3      TRP  14  -3.194  -0.178   9.372
  101    HH2  TRP  14           HH2      TRP  14  -0.907  -1.124   9.391
  102    H    SER  15           HN       SER  15  -4.572   4.720   2.292
  103    HA   SER  15           HA       SER  15  -7.226   3.620   2.059
  104   1HB   SER  15           HB2      SER  15  -7.804   5.968   1.316
  105   2HB   SER  15           HB3      SER  15  -7.128   5.846   2.969
  106    HG   SER  15           HG       SER  15  -5.648   6.526   0.656
  107    H    VAL  16           HN       VAL  16  -4.443   3.166   0.361
  108    HA   VAL  16           HA       VAL  16  -5.700   3.223  -2.292
  109    HB   VAL  16           HB       VAL  16  -2.822   2.574  -1.452
  110   1HG1  VAL  16           HG13     VAL  16  -4.088   2.944  -4.255
  111   2HG1  VAL  16           HG11     VAL  16  -2.324   2.829  -3.900
  112   3HG1  VAL  16           HG12     VAL  16  -3.379   1.415  -3.603
  113   1HG2  VAL  16           HG22     VAL  16  -4.097   5.099  -2.700
  114   2HG2  VAL  16           HG23     VAL  16  -3.420   4.965  -1.034
  115   3HG2  VAL  16           HG21     VAL  16  -2.333   4.822  -2.454
  116    H    CYS  17           HN       CYS  17  -4.442   0.924   0.227
  117    HA   CYS  17           HA       CYS  17  -5.249  -1.412  -1.254
  118   1HB   CYS  17           HB2      CYS  17  -4.008  -0.829   1.456
  119   2HB   CYS  17           HB3      CYS  17  -4.728  -2.440   1.202
  120    H    GLN  18           HN       GLN  18  -7.042   0.899   0.575
  121    HA   GLN  18           HA       GLN  18  -9.086  -0.899   1.466
  122   1HB   GLN  18           HB2      GLN  18  -8.192   1.110   2.727
  123   2HB   GLN  18           HB3      GLN  18  -8.927   2.174   1.493
  124   1HG   GLN  18           HG2      GLN  18 -11.194   1.197   2.063
  125   2HG   GLN  18           HG3      GLN  18 -10.383   0.111   3.259
  126   1HE2  GLN  18           HE22     GLN  18 -11.391   3.934   4.309
  127   2HE2  GLN  18           HE21     GLN  18 -11.922   3.159   2.854
  128    H    ARG  19           HN       ARG  19  -8.422   1.444  -1.159
  129    HA   ARG  19           HA       ARG  19 -11.103   1.364  -2.219
  130   1HB   ARG  19           HB2      ARG  19  -8.559   2.847  -3.094
  131   2HB   ARG  19           HB3      ARG  19 -10.181   3.059  -3.865
  132   1HG   ARG  19           HG2      ARG  19  -9.600   3.693  -0.936
  133   2HG   ARG  19           HG3      ARG  19  -9.583   4.830  -2.334
  134   1HD   ARG  19           HD2      ARG  19 -12.025   3.973  -2.805
  135   2HD   ARG  19           HD3      ARG  19 -11.948   3.275  -1.115
  136    HE   ARG  19           HE       ARG  19 -11.030   6.067  -1.427
  137   1HH1  ARG  19           HH12     ARG  19 -13.918   4.035  -0.860
  138   2HH1  ARG  19           HH11     ARG  19 -14.848   5.300  -0.127
  139   1HH2  ARG  19           HH22     ARG  19 -12.299   7.765  -0.383
  140   2HH2  ARG  19           HH21     ARG  19 -13.916   7.443   0.148
  141    H    LEU  20           HN       LEU  20  -8.009  -0.283  -2.890
  142    HA   LEU  20           HA       LEU  20  -8.819  -1.099  -5.536
  143   1HB   LEU  20           HB2      LEU  20  -6.495  -0.389  -5.151
  144   2HB   LEU  20           HB3      LEU  20  -6.308  -1.618  -3.867
  145    HG   LEU  20           HG       LEU  20  -6.610  -3.428  -5.523
  146   1HD1  LEU  20           HD13     LEU  20  -8.032  -2.309  -7.258
  147   2HD1  LEU  20           HD11     LEU  20  -6.671  -1.200  -7.670
  148   3HD1  LEU  20           HD12     LEU  20  -6.531  -2.969  -7.995
  149   1HD2  LEU  20           HD23     LEU  20  -4.361  -2.638  -4.959
  150   2HD2  LEU  20           HD21     LEU  20  -4.427  -3.203  -6.669
  151   3HD2  LEU  20           HD22     LEU  20  -4.406  -1.435  -6.305
  152    H    HIS  21           HN       HIS  21  -8.278  -2.487  -2.206
  153    HA   HIS  21           HA       HIS  21  -9.536  -5.002  -3.061
  154   1HB   HIS  21           HB2      HIS  21  -7.419  -4.453  -0.893
  155   2HB   HIS  21           HB3      HIS  21  -8.199  -6.044  -1.222
  156    HD1  HIS  21           HD1      HIS  21  -7.584  -7.114  -3.633
  157    HD2  HIS  21           HD2      HIS  21  -5.255  -3.790  -2.551
  158    HE1  HIS  21           HE1      HIS  21  -5.505  -7.075  -5.114
  159    H    ASN  22           HN       ASN  22  -9.024  -4.705   0.206
  160    HA   ASN  22           HA       ASN  22 -11.056  -3.130   1.165
  161   1HB   ASN  22           HB2      ASN  22 -12.827  -4.770   1.894
  162   2HB   ASN  22           HB3      ASN  22 -12.817  -4.461   0.143
  163   1HD2  ASN  22           HD22     ASN  22 -11.924  -7.813  -0.837
  164   2HD2  ASN  22           HD21     ASN  22 -11.820  -6.149  -1.308
  165    H    THR  23           HN       THR  23  -8.723  -3.058   2.084
  166    HA   THR  23           HA       THR  23  -8.809  -4.473   4.599
  167    HB   THR  23           HB       THR  23  -7.515  -5.945   2.942
  168    HG1  THR  23           HG1      THR  23  -5.984  -6.411   4.472
  169   1HG2  THR  23           HG22     THR  23  -6.168  -4.120   1.809
  170   2HG2  THR  23           HG23     THR  23  -5.276  -3.864   3.367
  171   3HG2  THR  23           HG21     THR  23  -5.163  -5.435   2.526
  172    H    SER  24           HN       SER  24  -6.345  -3.495   5.566
  173    HA   SER  24           HA       SER  24  -6.640  -0.578   5.302
  174   1HB   SER  24           HB2      SER  24  -6.372  -0.363   7.811
  175   2HB   SER  24           HB3      SER  24  -7.949  -1.016   7.260
  176    HG   SER  24           HG       SER  24  -7.093  -2.146   9.004
  177    H    ARG  25           HN       ARG  25  -4.695  -3.487   6.069
  178    HA   ARG  25           HA       ARG  25  -2.292  -1.928   6.430
  179   1HB   ARG  25           HB2      ARG  25  -1.259  -4.240   6.920
  180   2HB   ARG  25           HB3      ARG  25  -2.378  -3.518   8.100
  181   1HG   ARG  25           HG2      ARG  25  -3.551  -5.391   6.023
  182   2HG   ARG  25           HG3      ARG  25  -2.591  -6.086   7.367
  183   1HD   ARG  25           HD2      ARG  25  -4.070  -5.419   9.052
  184   2HD   ARG  25           HD3      ARG  25  -4.737  -4.046   8.068
  185    HE   ARG  25           HE       ARG  25  -5.559  -6.075   6.515
  186   1HH1  ARG  25           HH12     ARG  25  -5.811  -5.699  10.071
  187   2HH1  ARG  25           HH11     ARG  25  -7.307  -6.566  10.184
  188   1HH2  ARG  25           HH22     ARG  25  -7.535  -7.288   6.714
  189   2HH2  ARG  25           HH21     ARG  25  -8.296  -7.477   8.259
  190    H    GLY  26           HN       GLY  26  -0.784  -1.745   5.035
  191   1HA   GLY  26           HA1      GLY  26  -0.043  -3.143   2.803
  192   2HA   GLY  26           HA2      GLY  26  -1.424  -2.067   2.303
  193    H    LYS  27           HN       LYS  27   1.920  -2.275   3.061
  194    HA   LYS  27           HA       LYS  27   2.273   0.551   3.733
  195   1HB   LYS  27           HB2      LYS  27   4.158  -1.853   4.172
  196   2HB   LYS  27           HB3      LYS  27   4.368  -0.179   4.806
  197   1HG   LYS  27           HG2      LYS  27   2.292  -0.480   6.172
  198   2HG   LYS  27           HG3      LYS  27   2.158  -2.174   5.564
  199   1HD   LYS  27           HD2      LYS  27   4.409  -2.695   6.520
  200   2HD   LYS  27           HD3      LYS  27   4.518  -1.017   7.172
  201   1HE   LYS  27           HE2      LYS  27   2.512  -1.435   8.624
  202   2HE   LYS  27           HE3      LYS  27   2.359  -3.107   7.943
  203   1HZ   LYS  27           HZ1      LYS  27   4.538  -3.597   8.829
  204   2HZ   LYS  27           HZ2      LYS  27   4.673  -2.029   9.467
  205   3HZ   LYS  27           HZ3      LYS  27   3.476  -3.082  10.050
  206    H    CYS  28           HN       CYS  28   5.248  -0.042   3.140
  207    HA   CYS  28           HA       CYS  28   5.375  -0.566   0.335
  208   1HB   CYS  28           HB2      CYS  28   6.440   1.695  -0.272
  209   2HB   CYS  28           HB3      CYS  28   4.712   1.696   0.102
  210    H    MET  29           HN       MET  29   7.670  -0.187  -0.425
  211    HA   MET  29           HA       MET  29   9.602  -1.013   1.610
  212   1HB   MET  29           HB2      MET  29   9.079  -2.324  -0.542
  213   2HB   MET  29           HB3      MET  29  10.071  -1.138  -1.406
  214   1HG   MET  29           HG2      MET  29  10.998  -2.648   1.133
  215   2HG   MET  29           HG3      MET  29  11.012  -3.445  -0.458
  216   1HE   MET  29           HE3      MET  29  11.930  -1.632  -2.608
  217   2HE   MET  29           HE1      MET  29  13.713  -1.828  -2.573
  218   3HE   MET  29           HE2      MET  29  12.649  -3.247  -2.288
  219    H    ASN  30           HN       ASN  30  11.239   0.337  -0.981
  220    HA   ASN  30           HA       ASN  30  11.780   2.759   0.489
  221   1HB   ASN  30           HB2      ASN  30  13.684   3.107  -1.030
  222   2HB   ASN  30           HB3      ASN  30  13.688   1.548  -0.156
  223   1HD2  ASN  30           HD22     ASN  30  14.911   0.632  -3.449
  224   2HD2  ASN  30           HD21     ASN  30  15.414   1.478  -2.024
  225    H    LYS  31           HN       LYS  31  10.061   1.956  -2.475
  226    HA   LYS  31           HA       LYS  31   9.827   4.828  -3.156
  227   1HB   LYS  31           HB2      LYS  31  10.385   2.457  -4.997
  228   2HB   LYS  31           HB3      LYS  31   9.927   4.098  -5.572
  229   1HG   LYS  31           HG2      LYS  31  11.892   5.104  -4.491
  230   2HG   LYS  31           HG3      LYS  31  12.407   3.498  -3.878
  231   1HD   LYS  31           HD2      LYS  31  13.743   3.981  -5.800
  232   2HD   LYS  31           HD3      LYS  31  12.606   2.655  -6.234
  233   1HE   LYS  31           HE2      LYS  31  11.164   4.286  -7.494
  234   2HE   LYS  31           HE3      LYS  31  12.236   5.650  -6.972
  235   1HZ   LYS  31           HZ2      LYS  31  13.056   3.323  -8.631
  236   2HZ   LYS  31           HZ3      LYS  31  12.716   4.892  -9.188
  237   3HZ   LYS  31           HZ1      LYS  31  14.041   4.624  -8.159
  238    H    LYS  32           HN       LYS  32   8.046   1.614  -3.215
  239    HA   LYS  32           HA       LYS  32   5.753   3.100  -4.307
  240   1HB   LYS  32           HB2      LYS  32   5.293   1.608  -5.987
  241   2HB   LYS  32           HB3      LYS  32   7.014   2.054  -6.164
  242   1HG   LYS  32           HG2      LYS  32   7.568  -0.102  -4.813
  243   2HG   LYS  32           HG3      LYS  32   5.852  -0.585  -5.120
  244   1HD   LYS  32           HD2      LYS  32   6.256  -0.241  -7.583
  245   2HD   LYS  32           HD3      LYS  32   7.989   0.070  -7.221
  246   1HE   LYS  32           HE2      LYS  32   6.431  -2.569  -6.682
  247   2HE   LYS  32           HE3      LYS  32   7.704  -2.307  -7.942
  248   1HZ   LYS  32           HZ2      LYS  32   9.261  -1.848  -6.121
  249   2HZ   LYS  32           HZ3      LYS  32   8.052  -2.230  -4.991
  250   3HZ   LYS  32           HZ1      LYS  32   8.611  -3.417  -6.068
  251   1HN   ABA  33           HN       ABA  33   3.752   2.186  -3.889
  252    HA   ABA  33           HA       ABA  33   3.399   1.044  -1.345
  253   1HB   ABA  33           HB3      ABA  33   1.555   1.899  -3.603
  254   2HB   ABA  33           HB2      ABA  33   2.012   2.811  -2.145
  255   1HG   ABA  33           HG1      ABA  33   0.885   1.166  -0.685
  256   2HG   ABA  33           HG2      ABA  33  -0.261   1.910  -1.883
  257   3HG   ABA  33           HG3      ABA  33   0.298   0.226  -2.114
  258    H    ARG  34           HN       ARG  34   2.794  -0.988  -0.778
  259    HA   ARG  34           HA       ARG  34   2.364  -3.095  -2.790
  260   1HB   ARG  34           HB2      ARG  34   3.831  -3.222  -0.076
  261   2HB   ARG  34           HB3      ARG  34   3.421  -4.653  -1.097
  262   1HG   ARG  34           HG2      ARG  34   4.809  -3.775  -2.940
  263   2HG   ARG  34           HG3      ARG  34   5.271  -2.345  -1.947
  264   1HD   ARG  34           HD2      ARG  34   6.408  -3.771  -0.285
  265   2HD   ARG  34           HD3      ARG  34   5.838  -5.276  -1.145
  266    HE   ARG  34           HE       ARG  34   7.247  -3.571  -3.016
  267   1HH1  ARG  34           HH12     ARG  34   7.899  -5.649  -0.179
  268   2HH1  ARG  34           HH11     ARG  34   9.501  -6.068  -0.687
  269   1HH2  ARG  34           HH22     ARG  34   9.403  -4.151  -3.682
  270   2HH2  ARG  34           HH21     ARG  34  10.366  -5.207  -2.700
  271    H    CYS  35           HN       CYS  35   1.402  -5.028  -1.033
  272    HA   CYS  35           HA       CYS  35  -0.635  -3.838   0.602
  273   1HB   CYS  35           HB2      CYS  35  -1.405  -4.183  -1.982
  274   2HB   CYS  35           HB3      CYS  35  -1.720  -5.840  -1.434
  275    H    TYR  36           HN       TYR  36  -1.354  -5.226   2.103
  276    HA   TYR  36           HA       TYR  36   0.187  -7.699   2.553
  277   1HB   TYR  36           HB2      TYR  36   0.331  -5.017   4.071
  278   2HB   TYR  36           HB3      TYR  36   0.805  -6.548   4.905
  279    HD1  TYR  36           HD2      TYR  36   2.364  -8.050   2.974
  280    HD2  TYR  36           HD1      TYR  36   2.207  -3.814   3.637
  281    HE1  TYR  36           HE2      TYR  36   4.658  -7.826   2.085
  282    HE2  TYR  36           HE1      TYR  36   4.507  -3.578   2.759
  283    HH   TYR  36           HH       TYR  36   6.290  -4.631   1.884
  284    H    SER  37           HN       SER  37  -2.227  -8.085   1.952
  285    HA   SER  37           HA       SER  37  -4.159  -7.539   3.991
  286   1HB   SER  37           HB2      SER  37  -5.676  -8.969   2.597
  287   2HB   SER  37           HB3      SER  37  -4.936  -7.587   1.712
  288    HG   SER  37           HG       SER  37  -4.875  -9.519   0.549
   
  No H/Q in entry =         288
  Start of MODEL   26
    1    HA   PCA   1           HA       PGL   1  -1.320  -9.130  -5.911
    2   1HB   PCA   1           HB2      PGL   1  -2.454  -6.942  -7.463
    3   2HB   PCA   1           HB3      PGL   1  -2.331  -8.673  -7.916
    4   1HG   PCA   1           HG2      PGL   1  -4.732  -7.175  -6.858
    5   2HG   PCA   1           HG3      PGL   1  -4.657  -8.658  -7.912
    6    HN   PCA   1           HN       PGL   1  -3.028  -9.539  -4.243
    7    H    PHE   2           HN       PHE   2  -0.132  -6.917  -6.407
    8    HA   PHE   2           HA       PHE   2  -0.056  -5.233  -3.988
    9   1HB   PHE   2           HB2      PHE   2   2.040  -5.871  -6.187
   10   2HB   PHE   2           HB3      PHE   2   2.306  -4.661  -4.879
   11    HD1  PHE   2           HD2      PHE   2   2.504  -5.345  -2.553
   12    HD2  PHE   2           HD1      PHE   2   2.150  -8.250  -5.693
   13    HE1  PHE   2           HE2      PHE   2   3.383  -7.091  -1.030
   14    HE2  PHE   2           HE1      PHE   2   3.012 -10.001  -4.169
   15    HZ   PHE   2           HZ       PHE   2   3.631  -9.424  -1.837
   16    H    THR   3           HN       THR   3   0.475  -2.871  -4.497
   17    HA   THR   3           HA       THR   3  -0.900  -1.954  -6.911
   18    HB   THR   3           HB       THR   3  -1.410   0.019  -5.954
   19    HG1  THR   3           HG1      THR   3   0.390  -0.304  -3.802
   20   1HG2  THR   3           HG23     THR   3  -2.517  -1.941  -4.724
   21   2HG2  THR   3           HG21     THR   3  -1.245  -1.806  -3.455
   22   3HG2  THR   3           HG22     THR   3  -2.374  -0.446  -3.720
   23    H    ASN   4           HN       ASN   4   0.256   0.264  -7.775
   24    HA   ASN   4           HA       ASN   4   3.143   0.123  -7.650
   25   1HB   ASN   4           HB2      ASN   4   3.390   0.220 -10.128
   26   2HB   ASN   4           HB3      ASN   4   2.804  -1.361  -9.538
   27   1HD2  ASN   4           HD22     ASN   4   0.965  -0.696 -12.659
   28   2HD2  ASN   4           HD21     ASN   4   2.592  -0.990 -12.146
   29    H    VAL   5           HN       VAL   5   1.644   1.840  -6.265
   30    HA   VAL   5           HA       VAL   5   1.743   4.391  -7.720
   31    HB   VAL   5           HB       VAL   5   1.108   4.188  -4.757
   32   1HG1  VAL   5           HG11     VAL   5   0.085   5.909  -7.126
   33   2HG1  VAL   5           HG12     VAL   5  -0.463   6.043  -5.413
   34   3HG1  VAL   5           HG13     VAL   5   1.225   6.462  -5.843
   35   1HG2  VAL   5           HG22     VAL   5  -0.754   3.337  -7.051
   36   2HG2  VAL   5           HG23     VAL   5  -0.183   2.362  -5.634
   37   3HG2  VAL   5           HG21     VAL   5  -1.278   3.757  -5.374
   38    H    SER   6           HN       SER   6   2.809   6.130  -5.866
   39    HA   SER   6           HA       SER   6   5.512   5.119  -5.244
   40   1HB   SER   6           HB2      SER   6   6.227   7.570  -5.326
   41   2HB   SER   6           HB3      SER   6   5.851   6.758  -6.872
   42    HG   SER   6           HG       SER   6   4.950   8.834  -6.691
   43    H    CYS   7           HN       CYS   7   6.154   5.132  -3.234
   44    HA   CYS   7           HA       CYS   7   4.564   6.604  -1.171
   45   1HB   CYS   7           HB2      CYS   7   3.519   4.551  -1.196
   46   2HB   CYS   7           HB3      CYS   7   5.009   3.622  -1.164
   47    H    THR   8           HN       THR   8   5.616   7.058   0.726
   48    HA   THR   8           HA       THR   8   8.506   6.608   0.941
   49    HB   THR   8           HB       THR   8   8.665   8.879   2.077
   50    HG1  THR   8           HG1      THR   8   7.113  10.366   1.375
   51   1HG2  THR   8           HG22     THR   8   9.548   8.347  -0.218
   52   2HG2  THR   8           HG23     THR   8   7.970   8.839  -0.937
   53   3HG2  THR   8           HG21     THR   8   8.981  10.050  -0.069
   54    H    THR   9           HN       THR   9   5.371   7.331   2.620
   55    HA   THR   9           HA       THR   9   6.493   6.295   5.146
   56    HB   THR   9           HB       THR   9   4.618   7.642   6.218
   57    HG1  THR   9           HG1      THR   9   4.578   8.782   3.612
   58   1HG2  THR   9           HG22     THR   9   7.029   8.326   6.159
   59   2HG2  THR   9           HG23     THR   9   6.754   9.166   4.585
   60   3HG2  THR   9           HG21     THR   9   5.906   9.735   6.071
   61    H    SER  10           HN       SER  10   5.446   4.736   6.326
   62    HA   SER  10           HA       SER  10   3.395   3.161   5.020
   63   1HB   SER  10           HB2      SER  10   3.848   1.518   6.894
   64   2HB   SER  10           HB3      SER  10   5.238   1.900   5.823
   65    HG   SER  10           HG       SER  10   5.977   3.350   7.380
   66    H    LYS  11           HN       LYS  11   1.809   4.817   5.132
   67    HA   LYS  11           HA       LYS  11  -0.076   4.668   7.163
   68   1HB   LYS  11           HB2      LYS  11   1.556   6.221   8.402
   69   2HB   LYS  11           HB3      LYS  11   1.360   7.408   7.084
   70   1HG   LYS  11           HG2      LYS  11  -1.173   7.443   7.650
   71   2HG   LYS  11           HG3      LYS  11  -0.811   6.285   8.976
   72   1HD   LYS  11           HD2      LYS  11  -0.987   8.442   9.966
   73   2HD   LYS  11           HD3      LYS  11   0.768   8.043   9.964
   74   1HE   LYS  11           HE2      LYS  11   1.098   9.546   7.957
   75   2HE   LYS  11           HE3      LYS  11  -0.682   9.871   7.915
   76   1HZ   LYS  11           HZ1      LYS  11  -0.498  10.827  10.113
   77   2HZ   LYS  11           HZ2      LYS  11   1.176  10.541  10.134
   78   3HZ   LYS  11           HZ3      LYS  11   0.514  11.616   8.998
   79    H    GLU  12           HN       GLU  12   1.499   6.525   4.520
   80    HA   GLU  12           HA       GLU  12  -0.506   7.789   3.315
   81   1HB   GLU  12           HB2      GLU  12   2.117   7.598   3.156
   82   2HB   GLU  12           HB3      GLU  12   1.841   6.515   1.793
   83   1HG   GLU  12           HG2      GLU  12   0.544   8.374   0.625
   84   2HG   GLU  12           HG3      GLU  12   0.772   9.404   2.097
   85   1HN   ABA  13           HN       ABA  13   0.241   4.379   3.039
   86    HA   ABA  13           HA       ABA  13  -1.014   3.948   0.470
   87   1HB   ABA  13           HB3      ABA  13   0.001   1.739   0.590
   88   2HB   ABA  13           HB2      ABA  13   0.328   1.916   2.354
   89   1HG   ABA  13           HG1      ABA  13   1.590   3.777   0.237
   90   2HG   ABA  13           HG2      ABA  13   1.990   3.617   1.992
   91   3HG   ABA  13           HG3      ABA  13   2.319   2.262   0.848
   92    H    TRP  14           HN       TRP  14  -2.402   4.198   3.434
   93    HA   TRP  14           HA       TRP  14  -3.726   1.656   3.629
   94   1HB   TRP  14           HB2      TRP  14  -3.715   4.184   5.384
   95   2HB   TRP  14           HB3      TRP  14  -4.675   2.714   5.792
   96    HD1  TRP  14           HD1      TRP  14  -0.842   3.032   4.741
   97    HE1  TRP  14           HE1      TRP  14   0.359   1.258   6.032
   98    HE3  TRP  14           HE3      TRP  14  -4.655   1.623   7.853
   99    HZ2  TRP  14           HZ2      TRP  14  -0.149  -0.529   8.195
  100    HZ3  TRP  14           HZ3      TRP  14  -4.248  -0.230   9.443
  101    HH2  TRP  14           HH2      TRP  14  -2.041  -1.358   9.520
  102    H    SER  15           HN       SER  15  -4.504   4.743   2.162
  103    HA   SER  15           HA       SER  15  -7.343   4.182   1.987
  104   1HB   SER  15           HB2      SER  15  -7.407   6.395   0.767
  105   2HB   SER  15           HB3      SER  15  -6.808   6.491   2.452
  106    HG   SER  15           HG       SER  15  -5.181   6.392   0.135
  107    H    VAL  16           HN       VAL  16  -4.493   3.143   0.464
  108    HA   VAL  16           HA       VAL  16  -5.606   3.099  -2.235
  109    HB   VAL  16           HB       VAL  16  -2.848   2.166  -1.321
  110   1HG1  VAL  16           HG13     VAL  16  -4.044   2.951  -4.076
  111   2HG1  VAL  16           HG11     VAL  16  -2.324   2.524  -3.753
  112   3HG1  VAL  16           HG12     VAL  16  -3.599   1.281  -3.571
  113   1HG2  VAL  16           HG23     VAL  16  -3.810   4.925  -2.325
  114   2HG2  VAL  16           HG21     VAL  16  -3.108   4.554  -0.704
  115   3HG2  VAL  16           HG22     VAL  16  -2.090   4.408  -2.172
  116    H    CYS  17           HN       CYS  17  -4.716   0.860   0.484
  117    HA   CYS  17           HA       CYS  17  -5.512  -1.489  -0.993
  118   1HB   CYS  17           HB2      CYS  17  -4.671  -0.960   1.902
  119   2HB   CYS  17           HB3      CYS  17  -5.209  -2.580   1.363
  120    H    GLN  18           HN       GLN  18  -7.345   0.933   0.723
  121    HA   GLN  18           HA       GLN  18  -9.561  -0.847   1.367
  122   1HB   GLN  18           HB2      GLN  18  -9.289   2.198   1.536
  123   2HB   GLN  18           HB3      GLN  18 -10.768   1.258   2.011
  124   1HG   GLN  18           HG2      GLN  18  -9.563   0.084   3.762
  125   2HG   GLN  18           HG3      GLN  18  -8.028   0.903   3.303
  126   1HE2  GLN  18           HE22     GLN  18 -10.594   2.715   5.888
  127   2HE2  GLN  18           HE21     GLN  18 -10.637   1.038   5.461
  128    H    ARG  19           HN       ARG  19  -8.665   1.693  -0.975
  129    HA   ARG  19           HA       ARG  19 -11.171   1.789  -2.302
  130   1HB   ARG  19           HB2      ARG  19 -10.516   3.568  -3.415
  131   2HB   ARG  19           HB3      ARG  19  -9.515   3.641  -1.947
  132   1HG   ARG  19           HG2      ARG  19  -7.910   4.198  -3.355
  133   2HG   ARG  19           HG3      ARG  19  -7.672   2.451  -3.628
  134   1HD   ARG  19           HD2      ARG  19  -9.751   4.019  -5.258
  135   2HD   ARG  19           HD3      ARG  19  -7.985   4.294  -5.646
  136    HE   ARG  19           HE       ARG  19  -8.317   1.501  -5.612
  137   1HH1  ARG  19           HH22     ARG  19  -9.824   4.184  -7.427
  138   2HH1  ARG  19           HH21     ARG  19 -10.211   3.212  -8.808
  139   1HH2  ARG  19           HH12     ARG  19  -8.808   0.218  -7.491
  140   2HH2  ARG  19           HH11     ARG  19  -9.626   0.930  -8.844
  141    H    LEU  20           HN       LEU  20  -8.200  -0.069  -2.899
  142    HA   LEU  20           HA       LEU  20  -8.994  -0.911  -5.533
  143   1HB   LEU  20           HB2      LEU  20  -6.677  -0.213  -5.084
  144   2HB   LEU  20           HB3      LEU  20  -6.530  -1.460  -3.809
  145    HG   LEU  20           HG       LEU  20  -6.777  -3.246  -5.458
  146   1HD1  LEU  20           HD12     LEU  20  -6.867  -1.019  -7.611
  147   2HD1  LEU  20           HD13     LEU  20  -6.666  -2.780  -7.945
  148   3HD1  LEU  20           HD11     LEU  20  -8.197  -2.173  -7.222
  149   1HD2  LEU  20           HD22     LEU  20  -4.546  -2.422  -4.881
  150   2HD2  LEU  20           HD23     LEU  20  -4.588  -3.002  -6.588
  151   3HD2  LEU  20           HD21     LEU  20  -4.591  -1.230  -6.238
  152    H    HIS  21           HN       HIS  21  -8.596  -2.302  -2.179
  153    HA   HIS  21           HA       HIS  21  -9.881  -4.784  -3.088
  154   1HB   HIS  21           HB2      HIS  21  -7.743  -4.359  -0.916
  155   2HB   HIS  21           HB3      HIS  21  -8.561  -5.916  -1.304
  156    HD1  HIS  21           HD1      HIS  21  -8.000  -6.852  -3.816
  157    HD2  HIS  21           HD2      HIS  21  -5.539  -3.720  -2.493
  158    HE1  HIS  21           HE1      HIS  21  -5.909  -6.808  -5.275
  159    H    ASN  22           HN       ASN  22  -9.346  -4.598   0.159
  160    HA   ASN  22           HA       ASN  22 -11.308  -2.957   1.203
  161   1HB   ASN  22           HB2      ASN  22 -13.059  -4.770   1.942
  162   2HB   ASN  22           HB3      ASN  22 -13.165  -4.085   0.308
  163   1HD2  ASN  22           HD22     ASN  22 -12.116  -8.103   0.720
  164   2HD2  ASN  22           HD21     ASN  22 -11.876  -7.022   2.051
  165    H    THR  23           HN       THR  23  -8.883  -3.057   2.039
  166    HA   THR  23           HA       THR  23  -8.996  -4.440   4.557
  167    HB   THR  23           HB       THR  23  -7.924  -6.117   2.977
  168    HG1  THR  23           HG1      THR  23  -7.659  -6.135   5.187
  169   1HG2  THR  23           HG21     THR  23  -6.526  -4.471   1.626
  170   2HG2  THR  23           HG22     THR  23  -5.487  -4.223   3.091
  171   3HG2  THR  23           HG23     THR  23  -5.586  -5.840   2.330
  172    H    SER  24           HN       SER  24  -6.652  -3.680   5.633
  173    HA   SER  24           HA       SER  24  -6.348  -0.820   4.982
  174   1HB   SER  24           HB2      SER  24  -6.378  -0.184   7.374
  175   2HB   SER  24           HB3      SER  24  -7.953  -0.800   6.795
  176    HG   SER  24           HG       SER  24  -6.077  -2.035   8.477
  177    H    ARG  25           HN       ARG  25  -4.954  -3.921   5.470
  178    HA   ARG  25           HA       ARG  25  -2.460  -2.904   6.578
  179   1HB   ARG  25           HB2      ARG  25  -3.369  -5.770   5.944
  180   2HB   ARG  25           HB3      ARG  25  -1.763  -5.302   6.592
  181   1HG   ARG  25           HG2      ARG  25  -2.929  -6.086   8.437
  182   2HG   ARG  25           HG3      ARG  25  -2.863  -4.304   8.616
  183   1HD   ARG  25           HD2      ARG  25  -5.082  -5.272   9.332
  184   2HD   ARG  25           HD3      ARG  25  -5.271  -4.135   7.957
  185    HE   ARG  25           HE       ARG  25  -5.668  -5.936   6.434
  186   1HH1  ARG  25           HH12     ARG  25  -5.176  -7.176   9.761
  187   2HH1  ARG  25           HH11     ARG  25  -5.786  -8.756   9.396
  188   1HH2  ARG  25           HH22     ARG  25  -6.480  -8.055   5.981
  189   2HH2  ARG  25           HH21     ARG  25  -6.533  -9.261   7.226
  190    H    GLY  26           HN       GLY  26  -0.979  -2.236   5.313
  191   1HA   GLY  26           HA1      GLY  26   0.039  -3.245   2.973
  192   2HA   GLY  26           HA2      GLY  26  -1.299  -2.097   2.519
  193    H    LYS  27           HN       LYS  27   1.925  -2.177   2.761
  194    HA   LYS  27           HA       LYS  27   2.277   0.458   4.030
  195   1HB   LYS  27           HB2      LYS  27   4.215  -1.943   4.244
  196   2HB   LYS  27           HB3      LYS  27   4.383  -0.328   5.022
  197   1HG   LYS  27           HG2      LYS  27   2.342  -0.856   6.420
  198   2HG   LYS  27           HG3      LYS  27   2.254  -2.463   5.616
  199   1HD   LYS  27           HD2      LYS  27   4.660  -2.891   6.431
  200   2HD   LYS  27           HD3      LYS  27   4.505  -1.395   7.411
  201   1HE   LYS  27           HE2      LYS  27   4.000  -3.331   8.847
  202   2HE   LYS  27           HE3      LYS  27   2.442  -2.453   8.547
  203   1HZ   LYS  27           HZ1      LYS  27   1.951  -4.063   6.821
  204   2HZ   LYS  27           HZ2      LYS  27   3.409  -4.879   7.121
  205   3HZ   LYS  27           HZ3      LYS  27   2.207  -4.822   8.320
  206    H    CYS  28           HN       CYS  28   5.212   0.121   3.277
  207    HA   CYS  28           HA       CYS  28   5.226  -0.382   0.458
  208   1HB   CYS  28           HB2      CYS  28   5.976   1.942  -0.229
  209   2HB   CYS  28           HB3      CYS  28   4.305   1.855   0.337
  210    H    MET  29           HN       MET  29   7.497   0.306  -0.420
  211    HA   MET  29           HA       MET  29   9.488  -0.738   1.411
  212   1HB   MET  29           HB2      MET  29   8.772  -1.700  -0.927
  213   2HB   MET  29           HB3      MET  29   9.804  -0.424  -1.609
  214   1HG   MET  29           HG2      MET  29  11.730  -1.381  -0.216
  215   2HG   MET  29           HG3      MET  29  10.565  -2.545   0.504
  216   1HE   MET  29           HE1      MET  29  12.575  -1.437  -2.701
  217   2HE   MET  29           HE2      MET  29  12.010  -2.577  -3.965
  218   3HE   MET  29           HE3      MET  29  10.896  -1.320  -3.335
  219    H    ASN  30           HN       ASN  30  11.245   0.772  -0.878
  220    HA   ASN  30           HA       ASN  30  11.583   3.201   0.647
  221   1HB   ASN  30           HB2      ASN  30  13.538   3.624  -0.994
  222   2HB   ASN  30           HB3      ASN  30  13.633   2.309   0.206
  223   1HD2  ASN  30           HD22     ASN  30  13.393   1.328  -3.837
  224   2HD2  ASN  30           HD21     ASN  30  12.874   2.892  -3.304
  225    H    LYS  31           HN       LYS  31  10.206   2.375  -2.513
  226    HA   LYS  31           HA       LYS  31   9.620   5.234  -2.999
  227   1HB   LYS  31           HB2      LYS  31  11.052   3.243  -4.807
  228   2HB   LYS  31           HB3      LYS  31  10.312   4.735  -5.460
  229   1HG   LYS  31           HG2      LYS  31  11.710   6.179  -4.112
  230   2HG   LYS  31           HG3      LYS  31  12.504   4.767  -3.329
  231   1HD   LYS  31           HD2      LYS  31  13.418   4.002  -5.463
  232   2HD   LYS  31           HD3      LYS  31  12.518   5.277  -6.358
  233   1HE   LYS  31           HE2      LYS  31  14.916   5.928  -6.099
  234   2HE   LYS  31           HE3      LYS  31  13.835   7.072  -5.206
  235   1HZ   LYS  31           HZ3      LYS  31  14.336   5.870  -3.184
  236   2HZ   LYS  31           HZ1      LYS  31  15.368   4.814  -4.024
  237   3HZ   LYS  31           HZ2      LYS  31  15.745   6.467  -3.919
  238    H    LYS  32           HN       LYS  32   8.054   2.094  -2.815
  239    HA   LYS  32           HA       LYS  32   6.009   3.138  -4.608
  240   1HB   LYS  32           HB2      LYS  32   5.786   1.338  -5.992
  241   2HB   LYS  32           HB3      LYS  32   7.501   1.831  -6.090
  242   1HG   LYS  32           HG2      LYS  32   8.072  -0.027  -4.406
  243   2HG   LYS  32           HG3      LYS  32   6.378  -0.629  -4.613
  244   1HD   LYS  32           HD2      LYS  32   6.739  -0.907  -7.031
  245   2HD   LYS  32           HD3      LYS  32   8.389  -0.206  -6.878
  246   1HE   LYS  32           HE2      LYS  32   8.508  -2.722  -7.018
  247   2HE   LYS  32           HE3      LYS  32   9.097  -2.135  -5.409
  248   1HZ   LYS  32           HZ1      LYS  32   6.929  -2.645  -4.499
  249   2HZ   LYS  32           HZ2      LYS  32   6.390  -3.210  -6.007
  250   3HZ   LYS  32           HZ3      LYS  32   7.648  -4.017  -5.197
  251   1HN   ABA  33           HN       ABA  33   3.928   2.302  -4.269
  252    HA   ABA  33           HA       ABA  33   3.387   1.558  -1.583
  253   1HB   ABA  33           HB3      ABA  33   1.704   2.081  -4.085
  254   2HB   ABA  33           HB2      ABA  33   2.217   3.302  -2.878
  255   1HG   ABA  33           HG1      ABA  33  -0.197   2.488  -2.699
  256   2HG   ABA  33           HG2      ABA  33   0.456   0.971  -1.954
  257   3HG   ABA  33           HG3      ABA  33   0.825   2.577  -1.234
  258    H    ARG  34           HN       ARG  34   2.670  -0.390  -0.829
  259    HA   ARG  34           HA       ARG  34   2.378  -2.675  -2.670
  260   1HB   ARG  34           HB2      ARG  34   3.798  -2.645   0.069
  261   2HB   ARG  34           HB3      ARG  34   3.515  -4.086  -0.971
  262   1HG   ARG  34           HG2      ARG  34   4.902  -2.935  -2.793
  263   2HG   ARG  34           HG3      ARG  34   5.271  -1.641  -1.605
  264   1HD   ARG  34           HD2      ARG  34   7.151  -3.156  -1.678
  265   2HD   ARG  34           HD3      ARG  34   6.323  -3.393  -0.074
  266    HE   ARG  34           HE       ARG  34   5.129  -5.270  -1.818
  267   1HH1  ARG  34           HH12     ARG  34   8.455  -4.604  -0.681
  268   2HH1  ARG  34           HH11     ARG  34   8.965  -6.256  -0.800
  269   1HH2  ARG  34           HH22     ARG  34   5.849  -7.479  -1.987
  270   2HH2  ARG  34           HH21     ARG  34   7.472  -7.904  -1.550
  271    H    CYS  35           HN       CYS  35   1.364  -4.549  -1.145
  272    HA   CYS  35           HA       CYS  35  -0.586  -3.530   0.682
  273   1HB   CYS  35           HB2      CYS  35  -1.570  -3.457  -1.771
  274   2HB   CYS  35           HB3      CYS  35  -1.691  -5.225  -1.627
  275    H    TYR  36           HN       TYR  36  -1.183  -5.112   2.079
  276    HA   TYR  36           HA       TYR  36   0.378  -7.623   2.080
  277   1HB   TYR  36           HB2      TYR  36   0.497  -5.197   3.968
  278   2HB   TYR  36           HB3      TYR  36   0.976  -6.826   4.587
  279    HD1  TYR  36           HD2      TYR  36   2.611  -8.083   2.657
  280    HD2  TYR  36           HD1      TYR  36   2.314  -3.899   3.557
  281    HE1  TYR  36           HE2      TYR  36   4.953  -7.758   1.934
  282    HE2  TYR  36           HE1      TYR  36   4.643  -3.559   2.798
  283    HH   TYR  36           HH       TYR  36   6.512  -4.519   2.044
  284    H    SER  37           HN       SER  37  -1.936  -8.220   1.530
  285    HA   SER  37           HA       SER  37  -3.992  -7.802   3.438
  286   1HB   SER  37           HB2      SER  37  -3.800  -9.777   1.094
  287   2HB   SER  37           HB3      SER  37  -5.298  -9.399   2.030
  288    HG   SER  37           HG       SER  37  -5.091  -8.219   0.105
   
  No H/Q in entry =         288
  Start of MODEL   27
    1    HA   PCA   1           HA       PGL   1  -3.746  -8.686  -3.922
    2   1HB   PCA   1           HB2      PGL   1  -0.983  -9.817  -4.228
    3   2HB   PCA   1           HB3      PGL   1  -2.525 -10.643  -3.810
    4   1HG   PCA   1           HG2      PGL   1  -1.108 -10.604  -6.381
    5   2HG   PCA   1           HG3      PGL   1  -2.670 -11.450  -5.982
    6    HN   PCA   1           HN       PGL   1  -3.734  -7.570  -6.143
    7    H    PHE   2           HN       PHE   2  -1.183  -7.146  -5.848
    8    HA   PHE   2           HA       PHE   2  -0.367  -5.411  -3.615
    9   1HB   PHE   2           HB2      PHE   2   1.240  -6.401  -6.077
   10   2HB   PHE   2           HB3      PHE   2   1.853  -5.241  -4.839
   11    HD1  PHE   2           HD1      PHE   2   1.778  -6.046  -2.359
   12    HD2  PHE   2           HD2      PHE   2   1.632  -8.680  -5.752
   13    HE1  PHE   2           HE1      PHE   2   2.577  -7.911  -0.944
   14    HE2  PHE   2           HE2      PHE   2   2.426 -10.545  -4.337
   15    HZ   PHE   2           HZ       PHE   2   2.887 -10.170  -1.928
   16    H    THR   3           HN       THR   3   0.277  -3.253  -4.296
   17    HA   THR   3           HA       THR   3  -1.147  -2.195  -6.633
   18    HB   THR   3           HB       THR   3  -1.012  -0.012  -5.453
   19    HG1  THR   3           HG1      THR   3  -0.291   0.090  -3.418
   20   1HG2  THR   3           HG21     THR   3  -2.997  -1.565  -5.248
   21   2HG2  THR   3           HG22     THR   3  -2.299  -2.228  -3.723
   22   3HG2  THR   3           HG23     THR   3  -2.762  -0.494  -3.804
   23    H    ASN   4           HN       ASN   4   0.104  -0.197  -7.562
   24    HA   ASN   4           HA       ASN   4   2.989  -0.380  -7.395
   25   1HB   ASN   4           HB2      ASN   4   3.139  -0.465  -9.969
   26   2HB   ASN   4           HB3      ASN   4   2.763  -1.992  -9.128
   27   1HD2  ASN   4           HD22     ASN   4   0.029  -0.377 -11.777
   28   2HD2  ASN   4           HD21     ASN   4   1.448   0.502 -11.313
   29    H    VAL   5           HN       VAL   5   1.474   1.448  -6.183
   30    HA   VAL   5           HA       VAL   5   1.557   3.869  -7.827
   31    HB   VAL   5           HB       VAL   5   0.964   3.924  -4.850
   32   1HG1  VAL   5           HG13     VAL   5  -0.173   5.351  -7.359
   33   2HG1  VAL   5           HG11     VAL   5  -0.676   5.644  -5.653
   34   3HG1  VAL   5           HG12     VAL   5   0.985   6.072  -6.180
   35   1HG2  VAL   5           HG22     VAL   5  -0.857   2.722  -7.021
   36   2HG2  VAL   5           HG23     VAL   5  -0.299   1.989  -5.451
   37   3HG2  VAL   5           HG21     VAL   5  -1.439   3.383  -5.457
   38    H    SER   6           HN       SER   6   2.621   5.776  -6.157
   39    HA   SER   6           HA       SER   6   5.280   4.805  -5.324
   40   1HB   SER   6           HB2      SER   6   6.103   7.183  -5.707
   41   2HB   SER   6           HB3      SER   6   5.776   6.164  -7.136
   42    HG   SER   6           HG       SER   6   4.958   8.247  -7.359
   43    H    CYS   7           HN       CYS   7   5.795   5.041  -3.285
   44    HA   CYS   7           HA       CYS   7   3.805   6.366  -1.518
   45   1HB   CYS   7           HB2      CYS   7   4.272   4.949   0.228
   46   2HB   CYS   7           HB3      CYS   7   4.259   3.917  -1.191
   47    H    THR   8           HN       THR   8   4.714   7.188   0.611
   48    HA   THR   8           HA       THR   8   7.351   8.463   0.377
   49    HB   THR   8           HB       THR   8   6.450  10.296   1.910
   50    HG1  THR   8           HG1      THR   8   3.999   9.374   0.807
   51   1HG2  THR   8           HG22     THR   8   7.068  10.625  -0.493
   52   2HG2  THR   8           HG23     THR   8   5.398  10.164  -0.994
   53   3HG2  THR   8           HG21     THR   8   5.668  11.648  -0.006
   54    H    THR   9           HN       THR   9   4.683   7.495   2.608
   55    HA   THR   9           HA       THR   9   6.609   6.153   4.377
   56    HB   THR   9           HB       THR   9   5.162   6.994   6.327
   57    HG1  THR   9           HG1      THR   9   4.443   8.920   4.362
   58   1HG2  THR   9           HG22     THR   9   7.483   7.795   5.830
   59   2HG2  THR   9           HG23     THR   9   6.808   9.098   4.777
   60   3HG2  THR   9           HG21     THR   9   6.434   9.077   6.538
   61    H    SER  10           HN       SER  10   5.605   4.542   5.712
   62    HA   SER  10           HA       SER  10   3.472   3.055   4.423
   63   1HB   SER  10           HB2      SER  10   5.353   2.321   6.748
   64   2HB   SER  10           HB3      SER  10   4.186   1.202   5.935
   65    HG   SER  10           HG       SER  10   6.325   2.589   4.702
   66    H    LYS  11           HN       LYS  11   2.078   5.032   5.190
   67    HA   LYS  11           HA       LYS  11   0.399   4.201   7.256
   68   1HB   LYS  11           HB2      LYS  11   0.492   6.054   8.822
   69   2HB   LYS  11           HB3      LYS  11   2.056   5.195   8.775
   70   1HG   LYS  11           HG2      LYS  11   3.006   7.033   7.320
   71   2HG   LYS  11           HG3      LYS  11   1.450   7.923   7.494
   72   1HD   LYS  11           HD2      LYS  11   1.743   7.818  10.019
   73   2HD   LYS  11           HD3      LYS  11   3.390   7.146   9.757
   74   1HE   LYS  11           HE2      LYS  11   2.373   9.902   8.746
   75   2HE   LYS  11           HE3      LYS  11   3.399   9.630  10.212
   76   1HZ   LYS  11           HZ3      LYS  11   4.144   8.959   7.417
   77   2HZ   LYS  11           HZ1      LYS  11   4.682  10.296   8.316
   78   3HZ   LYS  11           HZ2      LYS  11   5.102   8.723   8.799
   79    H    GLU  12           HN       GLU  12   1.546   6.762   4.990
   80    HA   GLU  12           HA       GLU  12  -0.730   8.148   4.559
   81   1HB   GLU  12           HB2      GLU  12   1.775   8.504   4.075
   82   2HB   GLU  12           HB3      GLU  12   1.596   7.562   2.599
   83   1HG   GLU  12           HG2      GLU  12  -0.482   9.722   2.883
   84   2HG   GLU  12           HG3      GLU  12   1.193  10.349   3.057
   85   1HN   ABA  13           HN       ABA  13   0.478   5.204   3.011
   86    HA   ABA  13           HA       ABA  13  -1.516   5.221   0.864
   87   1HB   ABA  13           HB3      ABA  13   0.853   5.221   0.253
   88   2HB   ABA  13           HB2      ABA  13   0.056   3.729  -0.282
   89   1HG   ABA  13           HG1      ABA  13   1.117   2.482   1.651
   90   2HG   ABA  13           HG2      ABA  13   2.312   3.300   0.587
   91   3HG   ABA  13           HG3      ABA  13   1.895   4.023   2.198
   92    H    TRP  14           HN       TRP  14  -2.265   4.487   3.609
   93    HA   TRP  14           HA       TRP  14  -2.939   1.674   3.475
   94   1HB   TRP  14           HB2      TRP  14  -3.361   3.861   5.567
   95   2HB   TRP  14           HB3      TRP  14  -4.120   2.240   5.721
   96    HD1  TRP  14           HD1      TRP  14  -0.353   2.734   4.589
   97    HE1  TRP  14           HE1      TRP  14   0.975   1.149   6.025
   98    HE3  TRP  14           HE3      TRP  14  -4.025   1.458   7.914
   99    HZ2  TRP  14           HZ2      TRP  14   0.591  -0.405   8.406
  100    HZ3  TRP  14           HZ3      TRP  14  -3.495  -0.153   9.709
  101    HH2  TRP  14           HH2      TRP  14  -1.227  -1.117   9.912
  102    H    SER  15           HN       SER  15  -4.475   4.751   2.540
  103    HA   SER  15           HA       SER  15  -7.086   3.543   2.248
  104   1HB   SER  15           HB2      SER  15  -7.793   5.841   1.531
  105   2HB   SER  15           HB3      SER  15  -7.106   5.762   3.185
  106    HG   SER  15           HG       SER  15  -5.746   6.596   0.847
  107    H    VAL  16           HN       VAL  16  -4.253   3.296   0.620
  108    HA   VAL  16           HA       VAL  16  -5.416   3.230  -2.079
  109    HB   VAL  16           HB       VAL  16  -2.559   2.721  -1.054
  110   1HG1  VAL  16           HG12     VAL  16  -3.678   2.970  -3.930
  111   2HG1  VAL  16           HG13     VAL  16  -1.933   2.949  -3.473
  112   3HG1  VAL  16           HG11     VAL  16  -2.939   1.494  -3.194
  113   1HG2  VAL  16           HG23     VAL  16  -3.869   5.163  -2.414
  114   2HG2  VAL  16           HG21     VAL  16  -3.251   5.088  -0.721
  115   3HG2  VAL  16           HG22     VAL  16  -2.107   4.968  -2.099
  116    H    CYS  17           HN       CYS  17  -4.407   1.077   0.601
  117    HA   CYS  17           HA       CYS  17  -4.964  -1.347  -0.710
  118   1HB   CYS  17           HB2      CYS  17  -4.761  -0.404   2.179
  119   2HB   CYS  17           HB3      CYS  17  -5.383  -2.051   1.889
  120    H    GLN  18           HN       GLN  18  -7.175   1.099   0.595
  121    HA   GLN  18           HA       GLN  18  -9.423  -0.715   0.877
  122   1HB   GLN  18           HB2      GLN  18  -9.271   2.324   1.260
  123   2HB   GLN  18           HB3      GLN  18 -10.672   1.243   1.665
  124   1HG   GLN  18           HG2      GLN  18  -9.321   0.064   3.352
  125   2HG   GLN  18           HG3      GLN  18  -7.896   1.104   2.970
  126   1HE2  GLN  18           HE22     GLN  18 -10.902   2.440   5.446
  127   2HE2  GLN  18           HE21     GLN  18 -10.874   0.843   4.774
  128    H    ARG  19           HN       ARG  19  -8.271   1.881  -1.280
  129    HA   ARG  19           HA       ARG  19 -10.713   2.140  -2.756
  130   1HB   ARG  19           HB2      ARG  19  -7.930   3.355  -3.059
  131   2HB   ARG  19           HB3      ARG  19  -9.274   3.762  -4.184
  132   1HG   ARG  19           HG2      ARG  19  -9.566   4.075  -1.157
  133   2HG   ARG  19           HG3      ARG  19  -8.827   5.350  -2.172
  134   1HD   ARG  19           HD2      ARG  19 -11.609   4.190  -2.817
  135   2HD   ARG  19           HD3      ARG  19 -11.384   5.509  -1.607
  136    HE   ARG  19           HE       ARG  19 -10.772   5.631  -4.582
  137   1HH1  ARG  19           HH12     ARG  19 -11.068   7.372  -1.467
  138   2HH1  ARG  19           HH11     ARG  19 -10.945   8.942  -2.191
  139   1HH2  ARG  19           HH22     ARG  19 -10.600   7.748  -5.518
  140   2HH2  ARG  19           HH21     ARG  19 -10.678   9.155  -4.510
  141    H    LEU  20           HN       LEU  20  -7.827   0.198  -3.110
  142    HA   LEU  20           HA       LEU  20  -8.318  -0.532  -5.891
  143   1HB   LEU  20           HB2      LEU  20  -6.144  -0.926  -3.831
  144   2HB   LEU  20           HB3      LEU  20  -6.254  -2.150  -5.137
  145    HG   LEU  20           HG       LEU  20  -4.639  -0.371  -5.482
  146   1HD1  LEU  20           HD12     LEU  20  -5.495  -1.799  -7.328
  147   2HD1  LEU  20           HD13     LEU  20  -6.795  -0.599  -7.679
  148   3HD1  LEU  20           HD11     LEU  20  -5.065  -0.154  -7.927
  149   1HD2  LEU  20           HD22     LEU  20  -5.862   1.658  -4.694
  150   2HD2  LEU  20           HD23     LEU  20  -5.202   1.850  -6.356
  151   3HD2  LEU  20           HD21     LEU  20  -6.960   1.548  -6.121
  152    H    HIS  21           HN       HIS  21  -7.792  -2.272  -2.766
  153    HA   HIS  21           HA       HIS  21  -9.527  -4.456  -3.654
  154   1HB   HIS  21           HB2      HIS  21  -7.441  -4.306  -1.406
  155   2HB   HIS  21           HB3      HIS  21  -8.361  -5.773  -1.915
  156    HD1  HIS  21           HD1      HIS  21  -7.739  -6.594  -4.485
  157    HD2  HIS  21           HD2      HIS  21  -5.197  -3.686  -2.849
  158    HE1  HIS  21           HE1      HIS  21  -5.610  -6.516  -5.897
  159    H    ASN  22           HN       ASN  22  -8.997  -4.313  -0.348
  160    HA   ASN  22           HA       ASN  22 -10.879  -2.655   0.718
  161   1HB   ASN  22           HB2      ASN  22 -12.814  -4.285   1.331
  162   2HB   ASN  22           HB3      ASN  22 -12.806  -3.579  -0.293
  163   1HD2  ASN  22           HD22     ASN  22 -12.995  -6.661  -1.953
  164   2HD2  ASN  22           HD21     ASN  22 -13.218  -4.944  -1.953
  165    H    THR  23           HN       THR  23  -8.581  -2.936   1.704
  166    HA   THR  23           HA       THR  23  -8.925  -4.502   4.103
  167    HB   THR  23           HB       THR  23  -7.800  -6.043   2.387
  168    HG1  THR  23           HG1      THR  23  -6.423  -6.841   3.920
  169   1HG2  THR  23           HG22     THR  23  -6.157  -4.333   1.463
  170   2HG2  THR  23           HG23     THR  23  -5.300  -4.368   3.063
  171   3HG2  THR  23           HG21     THR  23  -5.385  -5.848   2.060
  172    H    SER  24           HN       SER  24  -6.583  -3.951   5.367
  173    HA   SER  24           HA       SER  24  -6.196  -1.055   5.091
  174   1HB   SER  24           HB2      SER  24  -6.715  -0.584   7.476
  175   2HB   SER  24           HB3      SER  24  -8.144  -1.113   6.540
  176    HG   SER  24           HG       SER  24  -6.628  -2.586   8.405
  177    H    ARG  25           HN       ARG  25  -4.966  -4.211   5.796
  178    HA   ARG  25           HA       ARG  25  -2.529  -3.167   7.015
  179   1HB   ARG  25           HB2      ARG  25  -1.986  -5.797   6.889
  180   2HB   ARG  25           HB3      ARG  25  -2.892  -5.056   8.225
  181   1HG   ARG  25           HG2      ARG  25  -4.446  -6.138   5.847
  182   2HG   ARG  25           HG3      ARG  25  -3.776  -7.264   7.065
  183   1HD   ARG  25           HD2      ARG  25  -5.248  -6.715   8.718
  184   2HD   ARG  25           HD3      ARG  25  -5.206  -4.943   8.326
  185    HE   ARG  25           HE       ARG  25  -6.551  -6.001   6.157
  186   1HH1  ARG  25           HH22     ARG  25  -7.081  -6.101   9.698
  187   2HH1  ARG  25           HH21     ARG  25  -8.809  -6.110   9.566
  188   1HH2  ARG  25           HH12     ARG  25  -8.871  -6.030   6.015
  189   2HH2  ARG  25           HH11     ARG  25  -9.836  -6.070   7.454
  190    H    GLY  26           HN       GLY  26  -0.853  -2.773   5.894
  191   1HA   GLY  26           HA1      GLY  26  -0.059  -3.649   3.390
  192   2HA   GLY  26           HA2      GLY  26  -1.074  -2.139   3.264
  193    H    LYS  27           HN       LYS  27   1.784  -2.232   2.725
  194    HA   LYS  27           HA       LYS  27   2.673  -0.231   4.636
  195   1HB   LYS  27           HB2      LYS  27   4.489  -2.625   3.891
  196   2HB   LYS  27           HB3      LYS  27   4.924  -1.207   4.912
  197   1HG   LYS  27           HG2      LYS  27   3.246  -2.011   6.634
  198   2HG   LYS  27           HG3      LYS  27   2.942  -3.439   5.582
  199   1HD   LYS  27           HD2      LYS  27   5.662  -3.596   5.720
  200   2HD   LYS  27           HD3      LYS  27   5.342  -2.801   7.302
  201   1HE   LYS  27           HE2      LYS  27   3.725  -4.700   7.868
  202   2HE   LYS  27           HE3      LYS  27   4.096  -5.450   6.259
  203   1HZ   LYS  27           HZ3      LYS  27   6.425  -5.546   6.952
  204   2HZ   LYS  27           HZ1      LYS  27   5.997  -4.965   8.490
  205   3HZ   LYS  27           HZ2      LYS  27   5.394  -6.456   7.946
  206    H    CYS  28           HN       CYS  28   5.317  -0.301   3.304
  207    HA   CYS  28           HA       CYS  28   4.932  -0.373   0.515
  208   1HB   CYS  28           HB2      CYS  28   4.794   1.948  -0.062
  209   2HB   CYS  28           HB3      CYS  28   3.993   2.017   1.485
  210    H    MET  29           HN       MET  29   7.195   0.611  -0.439
  211    HA   MET  29           HA       MET  29   9.252  -0.729   1.189
  212   1HB   MET  29           HB2      MET  29   8.480  -1.648  -1.156
  213   2HB   MET  29           HB3      MET  29   9.501  -0.352  -1.815
  214   1HG   MET  29           HG2      MET  29  11.224  -1.382   0.057
  215   2HG   MET  29           HG3      MET  29  10.153  -2.804  -0.102
  216   1HE   MET  29           HE3      MET  29   9.318  -3.084  -2.999
  217   2HE   MET  29           HE1      MET  29  10.673  -3.938  -3.819
  218   3HE   MET  29           HE2      MET  29  10.178  -4.424  -2.163
  219    H    ASN  30           HN       ASN  30  11.003   0.721  -1.052
  220    HA   ASN  30           HA       ASN  30  11.480   3.120   0.471
  221   1HB   ASN  30           HB2      ASN  30  13.424   3.424  -1.235
  222   2HB   ASN  30           HB3      ASN  30  13.474   2.123  -0.017
  223   1HD2  ASN  30           HD22     ASN  30  12.979   1.063  -4.024
  224   2HD2  ASN  30           HD21     ASN  30  12.487   2.638  -3.498
  225    H    LYS  31           HN       LYS  31  10.018   2.367  -2.674
  226    HA   LYS  31           HA       LYS  31   9.400   5.220  -3.074
  227   1HB   LYS  31           HB2      LYS  31  10.631   3.254  -5.087
  228   2HB   LYS  31           HB3      LYS  31   9.983   4.867  -5.529
  229   1HG   LYS  31           HG2      LYS  31  11.665   6.013  -4.183
  230   2HG   LYS  31           HG3      LYS  31  12.357   4.444  -3.642
  231   1HD   LYS  31           HD2      LYS  31  12.846   3.821  -5.997
  232   2HD   LYS  31           HD3      LYS  31  12.210   5.413  -6.553
  233   1HE   LYS  31           HE2      LYS  31  14.016   6.587  -5.225
  234   2HE   LYS  31           HE3      LYS  31  14.655   4.978  -4.693
  235   1HZ   LYS  31           HZ1      LYS  31  15.038   4.442  -7.013
  236   2HZ   LYS  31           HZ2      LYS  31  14.471   5.969  -7.491
  237   3HZ   LYS  31           HZ3      LYS  31  15.874   5.843  -6.542
  238    H    LYS  32           HN       LYS  32   7.851   2.132  -2.689
  239    HA   LYS  32           HA       LYS  32   5.749   2.992  -4.512
  240   1HB   LYS  32           HB2      LYS  32   5.535   1.082  -5.747
  241   2HB   LYS  32           HB3      LYS  32   7.246   1.579  -5.907
  242   1HG   LYS  32           HG2      LYS  32   7.827  -0.185  -4.102
  243   2HG   LYS  32           HG3      LYS  32   6.124  -0.762  -4.246
  244   1HD   LYS  32           HD2      LYS  32   6.508  -0.958  -6.758
  245   2HD   LYS  32           HD3      LYS  32   8.259  -0.675  -6.433
  246   1HE   LYS  32           HE2      LYS  32   8.190  -2.732  -4.850
  247   2HE   LYS  32           HE3      LYS  32   6.489  -3.015  -5.399
  248   1HZ   LYS  32           HZ3      LYS  32   7.330  -3.212  -7.653
  249   2HZ   LYS  32           HZ1      LYS  32   8.923  -2.983  -7.107
  250   3HZ   LYS  32           HZ2      LYS  32   8.044  -4.347  -6.609
  251   1HN   ABA  33           HN       ABA  33   3.688   1.995  -4.084
  252    HA   ABA  33           HA       ABA  33   3.283   1.324  -1.319
  253   1HB   ABA  33           HB3      ABA  33   1.351   1.733  -3.640
  254   2HB   ABA  33           HB2      ABA  33   1.924   2.975  -2.470
  255   1HG   ABA  33           HG1      ABA  33   0.995   1.692  -0.578
  256   2HG   ABA  33           HG2      ABA  33  -0.264   2.241  -1.758
  257   3HG   ABA  33           HG3      ABA  33   0.233   0.514  -1.697
  258    H    ARG  34           HN       ARG  34   2.378  -0.676  -0.619
  259    HA   ARG  34           HA       ARG  34   1.792  -2.774  -2.524
  260   1HB   ARG  34           HB2      ARG  34   3.883  -3.130  -0.313
  261   2HB   ARG  34           HB3      ARG  34   2.922  -4.511  -0.954
  262   1HG   ARG  34           HG2      ARG  34   3.653  -3.923  -3.288
  263   2HG   ARG  34           HG3      ARG  34   4.819  -2.750  -2.582
  264   1HD   ARG  34           HD2      ARG  34   4.721  -5.788  -1.956
  265   2HD   ARG  34           HD3      ARG  34   5.809  -4.996  -3.178
  266    HE   ARG  34           HE       ARG  34   5.936  -3.840  -0.427
  267   1HH1  ARG  34           HH12     ARG  34   7.278  -6.294  -2.654
  268   2HH1  ARG  34           HH11     ARG  34   8.766  -6.467  -1.782
  269   1HH2  ARG  34           HH22     ARG  34   7.951  -4.096   0.732
  270   2HH2  ARG  34           HH21     ARG  34   9.150  -5.208   0.154
  271    H    CYS  35           HN       CYS  35   0.881  -4.674  -0.989
  272    HA   CYS  35           HA       CYS  35  -0.736  -3.627   1.111
  273   1HB   CYS  35           HB2      CYS  35  -1.944  -3.184  -1.197
  274   2HB   CYS  35           HB3      CYS  35  -2.231  -4.942  -1.234
  275    H    TYR  36           HN       TYR  36  -1.444  -5.324   2.395
  276    HA   TYR  36           HA       TYR  36   0.086  -7.845   2.021
  277   1HB   TYR  36           HB2      TYR  36   0.306  -5.647   4.126
  278   2HB   TYR  36           HB3      TYR  36   0.696  -7.347   4.610
  279    HD1  TYR  36           HD1      TYR  36   2.447  -8.602   3.350
  280    HD2  TYR  36           HD2      TYR  36   1.902  -4.375   2.904
  281    HE1  TYR  36           HE1      TYR  36   4.819  -8.366   2.659
  282    HE2  TYR  36           HE2      TYR  36   4.256  -4.114   2.230
  283    HH   TYR  36           HH       TYR  36   6.461  -6.964   2.090
  284    H    SER  37           HN       SER  37  -1.985  -8.719   1.527
  285    HA   SER  37           HA       SER  37  -3.397  -9.549   3.992
  286   1HB   SER  37           HB2      SER  37  -4.345  -9.660   1.064
  287   2HB   SER  37           HB3      SER  37  -5.181 -10.448   2.462
  288    HG   SER  37           HG       SER  37  -6.059  -8.454   1.977
   
  No H/Q in entry =         288
  Start of MODEL   28
    1    HA   PCA   1           HA       PGL   1  -3.953  -7.777  -5.785
    2   1HB   PCA   1           HB2      PGL   1  -3.629  -9.216  -3.322
    3   2HB   PCA   1           HB3      PGL   1  -4.617  -9.713  -4.729
    4   1HG   PCA   1           HG2      PGL   1  -1.834 -10.683  -3.979
    5   2HG   PCA   1           HG3      PGL   1  -3.207 -11.579  -4.776
    6    HN   PCA   1           HN       PGL   1  -2.040  -8.401  -7.127
    7    H    PHE   2           HN       PHE   2  -1.329  -6.701  -6.301
    8    HA   PHE   2           HA       PHE   2  -0.657  -5.272  -3.815
    9   1HB   PHE   2           HB2      PHE   2   1.218  -6.153  -6.132
   10   2HB   PHE   2           HB3      PHE   2   1.705  -5.230  -4.659
   11    HD1  PHE   2           HD2      PHE   2   0.756  -6.450  -2.390
   12    HD2  PHE   2           HD1      PHE   2   1.754  -8.413  -6.074
   13    HE1  PHE   2           HE2      PHE   2   1.065  -8.582  -1.166
   14    HE2  PHE   2           HE1      PHE   2   2.067 -10.542  -4.854
   15    HZ   PHE   2           HZ       PHE   2   1.716 -10.633  -2.401
   16    H    THR   3           HN       THR   3   0.281  -3.062  -4.356
   17    HA   THR   3           HA       THR   3  -1.136  -1.883  -6.627
   18    HB   THR   3           HB       THR   3  -1.543  -0.007  -5.504
   19    HG1  THR   3           HG1      THR   3  -0.355   0.703  -3.692
   20   1HG2  THR   3           HG21     THR   3  -2.496  -1.951  -4.108
   21   2HG2  THR   3           HG22     THR   3  -1.037  -1.851  -3.065
   22   3HG2  THR   3           HG23     THR   3  -2.169  -0.468  -3.148
   23    H    ASN   4           HN       ASN   4   0.145   0.134  -7.547
   24    HA   ASN   4           HA       ASN   4   3.017  -0.158  -7.519
   25   1HB   ASN   4           HB2      ASN   4   3.088  -0.184 -10.081
   26   2HB   ASN   4           HB3      ASN   4   2.600  -1.723  -9.324
   27   1HD2  ASN   4           HD22     ASN   4  -0.665  -1.852 -10.742
   28   2HD2  ASN   4           HD21     ASN   4   0.412  -2.492  -9.546
   29    H    VAL   5           HN       VAL   5   1.526   1.685  -6.216
   30    HA   VAL   5           HA       VAL   5   1.695   4.134  -7.828
   31    HB   VAL   5           HB       VAL   5   1.066   4.246  -4.866
   32   1HG1  VAL   5           HG11     VAL   5  -0.068   5.598  -7.414
   33   2HG1  VAL   5           HG12     VAL   5  -0.514   5.984  -5.710
   34   3HG1  VAL   5           HG13     VAL   5   1.147   6.330  -6.301
   35   1HG2  VAL   5           HG21     VAL   5  -0.820   3.045  -6.977
   36   2HG2  VAL   5           HG22     VAL   5  -0.190   2.289  -5.451
   37   3HG2  VAL   5           HG23     VAL   5  -1.316   3.685  -5.366
   38    H    SER   6           HN       SER   6   2.813   5.996  -6.180
   39    HA   SER   6           HA       SER   6   5.431   4.932  -5.335
   40   1HB   SER   6           HB2      SER   6   6.239   7.341  -5.523
   41   2HB   SER   6           HB3      SER   6   5.903   6.457  -7.038
   42    HG   SER   6           HG       SER   6   4.133   8.268  -5.760
   43    H    CYS   7           HN       CYS   7   6.013   5.107  -3.271
   44    HA   CYS   7           HA       CYS   7   4.047   6.355  -1.405
   45   1HB   CYS   7           HB2      CYS   7   4.552   4.972   0.295
   46   2HB   CYS   7           HB3      CYS   7   4.474   3.943  -1.126
   47    H    THR   8           HN       THR   8   5.015   7.247   0.629
   48    HA   THR   8           HA       THR   8   7.731   8.321   0.414
   49    HB   THR   8           HB       THR   8   6.974  10.352   1.751
   50    HG1  THR   8           HG1      THR   8   4.472   9.563   0.662
   51   1HG2  THR   8           HG21     THR   8   7.678  10.414  -0.656
   52   2HG2  THR   8           HG22     THR   8   5.974  10.108  -1.163
   53   3HG2  THR   8           HG23     THR   8   6.394  11.621  -0.286
   54    H    THR   9           HN       THR   9   4.854   7.590   2.465
   55    HA   THR   9           HA       THR   9   6.615   6.492   4.557
   56    HB   THR   9           HB       THR   9   4.828   7.283   6.200
   57    HG1  THR   9           HG1      THR   9   3.616   9.045   5.501
   58   1HG2  THR   9           HG23     THR   9   7.067   8.380   5.925
   59   2HG2  THR   9           HG21     THR   9   6.376   9.473   4.667
   60   3HG2  THR   9           HG22     THR   9   5.769   9.549   6.362
   61    H    SER  10           HN       SER  10   5.711   4.781   5.756
   62    HA   SER  10           HA       SER  10   3.559   3.219   4.547
   63   1HB   SER  10           HB2      SER  10   5.422   2.560   6.910
   64   2HB   SER  10           HB3      SER  10   4.195   1.454   6.165
   65    HG   SER  10           HG       SER  10   5.352   1.619   4.243
   66    H    LYS  11           HN       LYS  11   1.909   4.761   4.974
   67    HA   LYS  11           HA       LYS  11   0.580   4.824   7.421
   68   1HB   LYS  11           HB2      LYS  11   2.514   6.320   8.078
   69   2HB   LYS  11           HB3      LYS  11   2.144   7.420   6.724
   70   1HG   LYS  11           HG2      LYS  11  -0.024   6.745   8.775
   71   2HG   LYS  11           HG3      LYS  11   1.354   7.784   9.276
   72   1HD   LYS  11           HD2      LYS  11   0.871   9.386   7.432
   73   2HD   LYS  11           HD3      LYS  11  -0.579   8.425   6.969
   74   1HE   LYS  11           HE2      LYS  11  -1.583   8.836   9.243
   75   2HE   LYS  11           HE3      LYS  11  -0.121   9.801   9.704
   76   1HZ   LYS  11           HZ1      LYS  11  -1.994  10.419   7.477
   77   2HZ   LYS  11           HZ2      LYS  11  -1.933  11.181   8.995
   78   3HZ   LYS  11           HZ3      LYS  11  -0.625  11.321   7.921
   79    H    GLU  12           HN       GLU  12   1.522   6.470   4.376
   80    HA   GLU  12           HA       GLU  12  -0.772   7.615   3.545
   81   1HB   GLU  12           HB2      GLU  12   1.793   7.677   2.962
   82   2HB   GLU  12           HB3      GLU  12   1.459   6.423   1.765
   83   1HG   GLU  12           HG2      GLU  12  -0.270   7.996   0.687
   84   2HG   GLU  12           HG3      GLU  12   0.157   9.215   1.953
   85   1HN   ABA  13           HN       ABA  13   0.175   4.301   3.419
   86    HA   ABA  13           HA       ABA  13  -1.088   3.609   0.931
   87   1HB   ABA  13           HB3      ABA  13   0.129   1.547   1.117
   88   2HB   ABA  13           HB2      ABA  13   0.467   1.809   2.870
   89   1HG   ABA  13           HG1      ABA  13   2.381   2.245   1.318
   90   2HG   ABA  13           HG2      ABA  13   1.529   3.677   0.645
   91   3HG   ABA  13           HG3      ABA  13   2.001   3.651   2.395
   92    H    TRP  14           HN       TRP  14  -2.511   3.930   3.820
   93    HA   TRP  14           HA       TRP  14  -4.073   1.508   4.025
   94   1HB   TRP  14           HB2      TRP  14  -3.707   4.128   5.525
   95   2HB   TRP  14           HB3      TRP  14  -5.287   3.290   5.747
   96    HD1  TRP  14           HD1      TRP  14  -5.496   1.352   7.244
   97    HE1  TRP  14           HE1      TRP  14  -3.924  -0.224   8.461
   98    HE3  TRP  14           HE3      TRP  14  -1.057   3.089   5.449
   99    HZ2  TRP  14           HZ2      TRP  14  -1.114  -0.456   8.976
  100    HZ3  TRP  14           HZ3      TRP  14   1.033   2.053   6.242
  101    HH2  TRP  14           HH2      TRP  14   1.017   0.335   8.003
  102    H    SER  15           HN       SER  15  -4.475   4.717   2.455
  103    HA   SER  15           HA       SER  15  -7.270   4.201   1.877
  104   1HB   SER  15           HB2      SER  15  -7.180   6.494   0.825
  105   2HB   SER  15           HB3      SER  15  -6.762   6.450   2.570
  106    HG   SER  15           HG       SER  15  -5.361   7.732   1.376
  107    H    VAL  16           HN       VAL  16  -4.294   3.179   0.632
  108    HA   VAL  16           HA       VAL  16  -5.159   3.176  -2.150
  109    HB   VAL  16           HB       VAL  16  -2.495   2.243  -1.002
  110   1HG1  VAL  16           HG13     VAL  16  -3.466   3.049  -3.841
  111   2HG1  VAL  16           HG11     VAL  16  -1.779   2.607  -3.389
  112   3HG1  VAL  16           HG12     VAL  16  -3.075   1.372  -3.314
  113   1HG2  VAL  16           HG23     VAL  16  -3.404   5.002  -2.059
  114   2HG2  VAL  16           HG21     VAL  16  -2.800   4.622  -0.399
  115   3HG2  VAL  16           HG22     VAL  16  -1.692   4.510  -1.804
  116    H    CYS  17           HN       CYS  17  -4.812   0.976   0.711
  117    HA   CYS  17           HA       CYS  17  -5.285  -1.388  -0.909
  118   1HB   CYS  17           HB2      CYS  17  -4.897  -0.779   2.070
  119   2HB   CYS  17           HB3      CYS  17  -5.449  -2.397   1.558
  120    H    GLN  18           HN       GLN  18  -7.306   1.039   0.634
  121    HA   GLN  18           HA       GLN  18  -9.622  -0.709   0.867
  122   1HB   GLN  18           HB2      GLN  18  -9.314   2.293   1.362
  123   2HB   GLN  18           HB3      GLN  18 -10.823   1.326   1.647
  124   1HG   GLN  18           HG2      GLN  18  -9.710  -0.065   3.307
  125   2HG   GLN  18           HG3      GLN  18  -8.148   0.781   3.016
  126   1HE2  GLN  18           HE22     GLN  18 -10.532   2.245   5.867
  127   2HE2  GLN  18           HE21     GLN  18 -10.470   0.610   5.299
  128    H    ARG  19           HN       ARG  19  -8.310   1.815  -1.262
  129    HA   ARG  19           HA       ARG  19 -10.681   2.102  -2.845
  130   1HB   ARG  19           HB2      ARG  19  -9.713   3.813  -3.999
  131   2HB   ARG  19           HB3      ARG  19  -9.071   3.930  -2.338
  132   1HG   ARG  19           HG2      ARG  19  -7.136   4.349  -3.452
  133   2HG   ARG  19           HG3      ARG  19  -7.000   2.568  -3.349
  134   1HD   ARG  19           HD2      ARG  19  -6.397   3.288  -5.631
  135   2HD   ARG  19           HD3      ARG  19  -8.003   2.440  -5.702
  136    HE   ARG  19           HE       ARG  19  -8.005   5.434  -5.383
  137   1HH1  ARG  19           HH22     ARG  19  -8.421   2.661  -7.609
  138   2HH1  ARG  19           HH21     ARG  19  -9.241   3.593  -8.818
  139   1HH2  ARG  19           HH12     ARG  19  -9.104   6.653  -7.016
  140   2HH2  ARG  19           HH11     ARG  19  -9.634   5.886  -8.478
  141    H    LEU  20           HN       LEU  20  -7.833   0.020  -3.037
  142    HA   LEU  20           HA       LEU  20  -8.375  -0.822  -5.740
  143   1HB   LEU  20           HB2      LEU  20  -6.061  -0.375  -5.070
  144   2HB   LEU  20           HB3      LEU  20  -6.192  -1.553  -3.729
  145    HG   LEU  20           HG       LEU  20  -6.505  -3.386  -5.324
  146   1HD1  LEU  20           HD12     LEU  20  -6.066  -1.289  -7.565
  147   2HD1  LEU  20           HD13     LEU  20  -6.083  -3.078  -7.801
  148   3HD1  LEU  20           HD11     LEU  20  -7.578  -2.230  -7.277
  149   1HD2  LEU  20           HD21     LEU  20  -4.254  -2.912  -4.574
  150   2HD2  LEU  20           HD22     LEU  20  -4.206  -3.472  -6.283
  151   3HD2  LEU  20           HD23     LEU  20  -3.997  -1.717  -5.910
  152    H    HIS  21           HN       HIS  21  -8.310  -2.238  -2.358
  153    HA   HIS  21           HA       HIS  21  -9.940  -4.495  -3.315
  154   1HB   HIS  21           HB2      HIS  21  -7.757  -4.408  -1.145
  155   2HB   HIS  21           HB3      HIS  21  -8.821  -5.821  -1.505
  156    HD1  HIS  21           HD1      HIS  21  -8.459  -6.861  -4.014
  157    HD2  HIS  21           HD2      HIS  21  -5.485  -4.201  -2.707
  158    HE1  HIS  21           HE1      HIS  21  -6.384  -7.207  -5.466
  159    H    ASN  22           HN       ASN  22  -9.339  -4.395  -0.037
  160    HA   ASN  22           HA       ASN  22 -11.133  -2.595   1.018
  161   1HB   ASN  22           HB2      ASN  22 -13.044  -4.233   1.733
  162   2HB   ASN  22           HB3      ASN  22 -13.083  -3.560   0.092
  163   1HD2  ASN  22           HD22     ASN  22 -13.294  -6.677  -1.495
  164   2HD2  ASN  22           HD21     ASN  22 -13.554  -4.964  -1.511
  165    H    THR  23           HN       THR  23  -8.761  -2.884   1.881
  166    HA   THR  23           HA       THR  23  -8.993  -4.368   4.349
  167    HB   THR  23           HB       THR  23  -7.989  -5.993   2.641
  168    HG1  THR  23           HG1      THR  23  -6.504  -6.733   4.116
  169   1HG2  THR  23           HG21     THR  23  -6.380  -4.365   1.532
  170   2HG2  THR  23           HG22     THR  23  -5.437  -4.315   3.083
  171   3HG2  THR  23           HG23     THR  23  -5.587  -5.850   2.178
  172    H    SER  24           HN       SER  24  -6.721  -3.875   5.560
  173    HA   SER  24           HA       SER  24  -5.959  -1.091   5.209
  174   1HB   SER  24           HB2      SER  24  -6.560  -0.526   7.612
  175   2HB   SER  24           HB3      SER  24  -7.949  -0.680   6.495
  176    HG   SER  24           HG       SER  24  -8.284  -1.702   8.474
  177    H    ARG  25           HN       ARG  25  -4.834  -3.788   4.831
  178    HA   ARG  25           HA       ARG  25  -2.592  -3.697   6.739
  179   1HB   ARG  25           HB2      ARG  25  -4.065  -6.042   5.397
  180   2HB   ARG  25           HB3      ARG  25  -2.314  -6.165   5.789
  181   1HG   ARG  25           HG2      ARG  25  -3.614  -7.284   7.457
  182   2HG   ARG  25           HG3      ARG  25  -2.630  -5.941   8.122
  183   1HD   ARG  25           HD2      ARG  25  -4.853  -6.205   9.218
  184   2HD   ARG  25           HD3      ARG  25  -4.628  -4.561   8.501
  185    HE   ARG  25           HE       ARG  25  -5.925  -5.857   6.440
  186   1HH1  ARG  25           HH22     ARG  25  -6.621  -5.474   9.930
  187   2HH1  ARG  25           HH21     ARG  25  -8.342  -5.454   9.724
  188   1HH2  ARG  25           HH12     ARG  25  -8.263  -5.899   6.205
  189   2HH2  ARG  25           HH11     ARG  25  -9.280  -5.699   7.594
  190    H    GLY  26           HN       GLY  26  -0.988  -2.698   5.659
  191   1HA   GLY  26           HA1      GLY  26  -0.174  -3.223   3.052
  192   2HA   GLY  26           HA2      GLY  26  -1.267  -1.764   3.096
  193    H    LYS  27           HN       LYS  27   1.791  -2.343   2.808
  194    HA   LYS  27           HA       LYS  27   2.795  -0.185   4.463
  195   1HB   LYS  27           HB2      LYS  27   3.234  -2.003   5.964
  196   2HB   LYS  27           HB3      LYS  27   3.618  -3.137   4.640
  197   1HG   LYS  27           HG2      LYS  27   5.755  -2.095   4.224
  198   2HG   LYS  27           HG3      LYS  27   5.427  -0.776   5.414
  199   1HD   LYS  27           HD2      LYS  27   5.571  -3.777   6.116
  200   2HD   LYS  27           HD3      LYS  27   6.985  -2.666   6.155
  201   1HE   LYS  27           HE2      LYS  27   5.843  -1.227   7.877
  202   2HE   LYS  27           HE3      LYS  27   4.431  -2.361   7.880
  203   1HZ   LYS  27           HZ1      LYS  27   7.235  -3.076   8.554
  204   2HZ   LYS  27           HZ2      LYS  27   5.973  -2.797   9.659
  205   3HZ   LYS  27           HZ3      LYS  27   5.891  -4.112   8.588
  206    H    CYS  28           HN       CYS  28   4.966   0.405   3.511
  207    HA   CYS  28           HA       CYS  28   5.037  -0.152   0.605
  208   1HB   CYS  28           HB2      CYS  28   4.711   2.175   0.256
  209   2HB   CYS  28           HB3      CYS  28   4.298   2.224   1.955
  210    H    MET  29           HN       MET  29   7.276   0.629  -0.269
  211    HA   MET  29           HA       MET  29   9.301  -0.740   1.366
  212   1HB   MET  29           HB2      MET  29   8.422  -1.644  -0.932
  213   2HB   MET  29           HB3      MET  29   9.434  -0.380  -1.665
  214   1HG   MET  29           HG2      MET  29  11.372  -1.390  -0.194
  215   2HG   MET  29           HG3      MET  29  10.212  -2.695   0.227
  216   1HE   MET  29           HE3      MET  29  13.134  -2.955  -0.956
  217   2HE   MET  29           HE1      MET  29  12.083  -4.338  -0.496
  218   3HE   MET  29           HE2      MET  29  12.916  -4.331  -2.090
  219    H    ASN  30           HN       ASN  30  11.065   0.589  -0.923
  220    HA   ASN  30           HA       ASN  30  11.692   3.011   0.495
  221   1HB   ASN  30           HB2      ASN  30  13.605   3.154  -1.233
  222   2HB   ASN  30           HB3      ASN  30  13.602   1.832  -0.038
  223   1HD2  ASN  30           HD22     ASN  30  13.706  -0.762  -2.395
  224   2HD2  ASN  30           HD21     ASN  30  13.894  -0.217  -0.761
  225    H    LYS  31           HN       LYS  31  10.132   2.205  -2.577
  226    HA   LYS  31           HA       LYS  31   9.771   5.078  -3.177
  227   1HB   LYS  31           HB2      LYS  31  10.660   2.806  -5.026
  228   2HB   LYS  31           HB3      LYS  31  10.112   4.407  -5.627
  229   1HG   LYS  31           HG2      LYS  31  11.939   5.574  -4.571
  230   2HG   LYS  31           HG3      LYS  31  12.485   4.083  -3.736
  231   1HD   LYS  31           HD2      LYS  31  13.983   4.433  -5.514
  232   2HD   LYS  31           HD3      LYS  31  12.995   3.005  -5.954
  233   1HE   LYS  31           HE2      LYS  31  12.456   5.869  -7.032
  234   2HE   LYS  31           HE3      LYS  31  13.560   4.687  -7.840
  235   1HZ   LYS  31           HZ3      LYS  31  11.721   3.171  -8.060
  236   2HZ   LYS  31           HZ1      LYS  31  10.669   4.278  -7.315
  237   3HZ   LYS  31           HZ2      LYS  31  11.393   4.662  -8.803
  238    H    LYS  32           HN       LYS  32   8.007   1.999  -2.765
  239    HA   LYS  32           HA       LYS  32   5.902   3.064  -4.502
  240   1HB   LYS  32           HB2      LYS  32   5.524   1.172  -5.704
  241   2HB   LYS  32           HB3      LYS  32   7.269   1.520  -5.884
  242   1HG   LYS  32           HG2      LYS  32   7.747  -0.268  -4.114
  243   2HG   LYS  32           HG3      LYS  32   5.983  -0.672  -4.140
  244   1HD   LYS  32           HD2      LYS  32   6.109  -1.100  -6.584
  245   2HD   LYS  32           HD3      LYS  32   7.870  -0.753  -6.550
  246   1HE   LYS  32           HE2      LYS  32   7.496  -3.220  -6.531
  247   2HE   LYS  32           HE3      LYS  32   8.214  -2.703  -4.951
  248   1HZ   LYS  32           HZ3      LYS  32   5.992  -2.728  -4.015
  249   2HZ   LYS  32           HZ1      LYS  32   5.339  -3.246  -5.495
  250   3HZ   LYS  32           HZ2      LYS  32   6.424  -4.243  -4.650
  251   1HN   ABA  33           HN       ABA  33   3.810   2.140  -4.100
  252    HA   ABA  33           HA       ABA  33   3.357   1.564  -1.293
  253   1HB   ABA  33           HB3      ABA  33   1.596   2.327  -3.697
  254   2HB   ABA  33           HB2      ABA  33   2.209   3.413  -2.407
  255   1HG   ABA  33           HG1      ABA  33   0.995   2.005  -0.717
  256   2HG   ABA  33           HG2      ABA  33  -0.040   2.994  -1.812
  257   3HG   ABA  33           HG3      ABA  33   0.100   1.204  -2.043
  258    H    ARG  34           HN       ARG  34   2.298  -0.374  -0.637
  259    HA   ARG  34           HA       ARG  34   1.821  -2.429  -2.656
  260   1HB   ARG  34           HB2      ARG  34   4.267  -2.478  -1.512
  261   2HB   ARG  34           HB3      ARG  34   3.389  -3.313  -0.204
  262   1HG   ARG  34           HG2      ARG  34   2.528  -4.962  -1.969
  263   2HG   ARG  34           HG3      ARG  34   3.474  -4.056  -3.203
  264   1HD   ARG  34           HD2      ARG  34   5.598  -4.592  -1.913
  265   2HD   ARG  34           HD3      ARG  34   4.601  -5.550  -0.739
  266    HE   ARG  34           HE       ARG  34   4.663  -6.125  -3.741
  267   1HH1  ARG  34           HH12     ARG  34   4.984  -7.349  -0.390
  268   2HH1  ARG  34           HH11     ARG  34   5.210  -8.993  -0.887
  269   1HH2  ARG  34           HH22     ARG  34   4.973  -8.319  -4.367
  270   2HH2  ARG  34           HH21     ARG  34   5.204  -9.551  -3.170
  271    H    CYS  35           HN       CYS  35   1.039  -4.472  -1.075
  272    HA   CYS  35           HA       CYS  35  -0.759  -3.536   0.944
  273   1HB   CYS  35           HB2      CYS  35  -1.887  -3.430  -1.488
  274   2HB   CYS  35           HB3      CYS  35  -2.005  -5.196  -1.326
  275    H    TYR  36           HN       TYR  36  -1.543  -5.478   2.129
  276    HA   TYR  36           HA       TYR  36   0.244  -7.803   1.868
  277   1HB   TYR  36           HB2      TYR  36   0.325  -5.597   3.978
  278   2HB   TYR  36           HB3      TYR  36   0.754  -7.275   4.502
  279    HD1  TYR  36           HD2      TYR  36   2.406  -8.521   2.730
  280    HD2  TYR  36           HD1      TYR  36   2.107  -4.288   3.342
  281    HE1  TYR  36           HE2      TYR  36   4.708  -8.232   1.877
  282    HE2  TYR  36           HE1      TYR  36   4.386  -3.979   2.490
  283    HH   TYR  36           HH       TYR  36   6.369  -6.790   1.410
  284    H    SER  37           HN       SER  37  -2.045  -8.353   1.160
  285    HA   SER  37           HA       SER  37  -3.959  -8.773   3.270
  286   1HB   SER  37           HB2      SER  37  -3.887  -9.816   0.381
  287   2HB   SER  37           HB3      SER  37  -5.281  -9.955   1.523
  288    HG   SER  37           HG       SER  37  -5.297  -7.685   1.616
   
  No H/Q in entry =         288
  Start of MODEL   29
    1    HA   PCA   1           HA       PGL   1  -3.873  -8.306  -4.680
    2   1HB   PCA   1           HB2      PGL   1  -1.184  -9.462  -5.628
    3   2HB   PCA   1           HB3      PGL   1  -2.440 -10.229  -4.580
    4   1HG   PCA   1           HG2      PGL   1  -2.134 -10.728  -7.335
    5   2HG   PCA   1           HG3      PGL   1  -3.752 -10.821  -6.501
    6    HN   PCA   1           HN       PGL   1  -3.688  -6.936  -6.843
    7    H    PHE   2           HN       PHE   2  -1.301  -6.683  -6.536
    8    HA   PHE   2           HA       PHE   2  -0.413  -5.160  -4.179
    9   1HB   PHE   2           HB2      PHE   2   1.252  -6.007  -6.658
   10   2HB   PHE   2           HB3      PHE   2   1.847  -5.098  -5.218
   11    HD1  PHE   2           HD1      PHE   2   1.347  -6.345  -2.870
   12    HD2  PHE   2           HD2      PHE   2   1.636  -8.276  -6.702
   13    HE1  PHE   2           HE1      PHE   2   1.814  -8.502  -1.753
   14    HE2  PHE   2           HE2      PHE   2   2.109 -10.428  -5.583
   15    HZ   PHE   2           HZ       PHE   2   2.190 -10.548  -3.106
   16    H    THR   3           HN       THR   3   0.411  -2.965  -4.877
   17    HA   THR   3           HA       THR   3  -1.176  -1.837  -7.086
   18    HB   THR   3           HB       THR   3  -0.948   0.310  -5.900
   19    HG1  THR   3           HG1      THR   3  -0.100   0.332  -3.876
   20   1HG2  THR   3           HG23     THR   3  -2.092  -1.969  -4.144
   21   2HG2  THR   3           HG21     THR   3  -2.340  -0.211  -3.880
   22   3HG2  THR   3           HG22     THR   3  -2.946  -0.969  -5.384
   23    H    ASN   4           HN       ASN   4   0.187   0.469  -7.641
   24    HA   ASN   4           HA       ASN   4   3.011   0.129  -7.809
   25   1HB   ASN   4           HB2      ASN   4   2.964   0.466 -10.399
   26   2HB   ASN   4           HB3      ASN   4   2.652  -1.176  -9.779
   27   1HD2  ASN   4           HD22     ASN   4  -0.335   0.857 -11.821
   28   2HD2  ASN   4           HD21     ASN   4   1.087   1.690 -11.283
   29    H    VAL   5           HN       VAL   5   1.700   1.826  -6.245
   30    HA   VAL   5           HA       VAL   5   1.604   4.435  -7.597
   31    HB   VAL   5           HB       VAL   5   0.958   4.047  -4.653
   32   1HG1  VAL   5           HG13     VAL   5   0.951   6.377  -5.763
   33   2HG1  VAL   5           HG11     VAL   5  -0.266   5.757  -6.938
   34   3HG1  VAL   5           HG12     VAL   5  -0.665   5.850  -5.182
   35   1HG2  VAL   5           HG22     VAL   5  -0.759   3.117  -7.026
   36   2HG2  VAL   5           HG23     VAL   5  -0.229   2.204  -5.545
   37   3HG2  VAL   5           HG21     VAL   5  -1.416   3.550  -5.414
   38    H    SER   6           HN       SER   6   2.536   6.103  -5.572
   39    HA   SER   6           HA       SER   6   5.284   5.203  -4.993
   40   1HB   SER   6           HB2      SER   6   5.852   7.693  -4.871
   41   2HB   SER   6           HB3      SER   6   5.522   6.985  -6.478
   42    HG   SER   6           HG       SER   6   3.374   7.779  -6.278
   43    H    CYS   7           HN       CYS   7   5.923   5.084  -2.987
   44    HA   CYS   7           HA       CYS   7   4.369   6.422  -0.806
   45   1HB   CYS   7           HB2      CYS   7   3.281   4.412  -0.865
   46   2HB   CYS   7           HB3      CYS   7   4.747   3.456  -1.014
   47    H    THR   8           HN       THR   8   5.528   6.848   1.003
   48    HA   THR   8           HA       THR   8   8.377   6.176   1.170
   49    HB   THR   8           HB       THR   8   8.803   8.459   2.216
   50    HG1  THR   8           HG1      THR   8   6.619   9.075   2.385
   51   1HG2  THR   8           HG23     THR   8   9.628   7.748  -0.040
   52   2HG2  THR   8           HG21     THR   8   8.117   8.372  -0.797
   53   3HG2  THR   8           HG22     THR   8   9.243   9.507   0.031
   54    H    THR   9           HN       THR   9   5.392   7.390   2.812
   55    HA   THR   9           HA       THR   9   6.284   6.220   5.360
   56    HB   THR   9           HB       THR   9   4.495   7.705   6.351
   57    HG1  THR   9           HG1      THR   9   3.416   8.108   4.353
   58   1HG2  THR   9           HG23     THR   9   6.954   8.210   6.372
   59   2HG2  THR   9           HG21     THR   9   6.776   9.110   4.820
   60   3HG2  THR   9           HG22     THR   9   5.926   9.693   6.297
   61    H    SER  10           HN       SER  10   5.125   4.657   6.369
   62    HA   SER  10           HA       SER  10   3.028   3.299   4.902
   63   1HB   SER  10           HB2      SER  10   3.408   1.471   6.618
   64   2HB   SER  10           HB3      SER  10   4.822   1.898   5.602
   65    HG   SER  10           HG       SER  10   4.353   2.847   8.224
   66    H    LYS  11           HN       LYS  11   1.549   5.090   5.220
   67    HA   LYS  11           HA       LYS  11  -0.364   4.765   7.201
   68   1HB   LYS  11           HB2      LYS  11  -0.193   6.953   8.399
   69   2HB   LYS  11           HB3      LYS  11   1.178   5.862   8.727
   70   1HG   LYS  11           HG2      LYS  11   2.469   7.190   6.866
   71   2HG   LYS  11           HG3      LYS  11   1.161   8.407   7.024
   72   1HD   LYS  11           HD2      LYS  11   2.981   9.132   8.389
   73   2HD   LYS  11           HD3      LYS  11   1.712   8.548   9.523
   74   1HE   LYS  11           HE2      LYS  11   3.001   6.391   9.833
   75   2HE   LYS  11           HE3      LYS  11   4.220   6.946   8.619
   76   1HZ   LYS  11           HZ1      LYS  11   4.690   8.823  10.084
   77   2HZ   LYS  11           HZ2      LYS  11   3.609   8.207  11.240
   78   3HZ   LYS  11           HZ3      LYS  11   4.994   7.320  10.812
   79    H    GLU  12           HN       GLU  12   1.278   6.845   4.752
   80    HA   GLU  12           HA       GLU  12  -0.723   8.357   3.819
   81   1HB   GLU  12           HB2      GLU  12   1.835   8.261   3.574
   82   2HB   GLU  12           HB3      GLU  12   1.631   7.158   2.207
   83   1HG   GLU  12           HG2      GLU  12   0.377   9.981   2.434
   84   2HG   GLU  12           HG3      GLU  12   2.015   9.669   1.751
   85   1HN   ABA  13           HN       ABA  13   0.197   5.069   2.758
   86    HA   ABA  13           HA       ABA  13  -1.670   5.106   0.485
   87   1HB   ABA  13           HB3      ABA  13   0.695   4.896  -0.030
   88   2HB   ABA  13           HB2      ABA  13  -0.190   3.424  -0.468
   89   1HG   ABA  13           HG1      ABA  13   0.743   2.279   1.618
   90   2HG   ABA  13           HG2      ABA  13   2.007   2.971   0.527
   91   3HG   ABA  13           HG3      ABA  13   1.573   3.842   2.041
   92    H    TRP  14           HN       TRP  14  -2.462   4.516   3.343
   93    HA   TRP  14           HA       TRP  14  -3.218   1.723   3.296
   94   1HB   TRP  14           HB2      TRP  14  -3.477   3.977   5.359
   95   2HB   TRP  14           HB3      TRP  14  -4.250   2.371   5.604
   96    HD1  TRP  14           HD1      TRP  14  -0.532   2.959   4.317
   97    HE1  TRP  14           HE1      TRP  14   0.875   1.282   5.564
   98    HE3  TRP  14           HE3      TRP  14  -4.013   1.442   7.749
   99    HZ2  TRP  14           HZ2      TRP  14   0.621  -0.441   7.833
  100    HZ3  TRP  14           HZ3      TRP  14  -3.375  -0.285   9.399
  101    HH2  TRP  14           HH2      TRP  14  -1.099  -1.250   9.399
  102    H    SER  15           HN       SER  15  -4.693   4.762   2.289
  103    HA   SER  15           HA       SER  15  -7.362   3.655   2.171
  104   1HB   SER  15           HB2      SER  15  -7.961   5.951   1.290
  105   2HB   SER  15           HB3      SER  15  -7.263   5.930   2.939
  106    HG   SER  15           HG       SER  15  -6.385   7.547   1.658
  107    H    VAL  16           HN       VAL  16  -4.561   3.289   0.437
  108    HA   VAL  16           HA       VAL  16  -5.712   3.295  -2.250
  109    HB   VAL  16           HB       VAL  16  -2.879   2.740  -1.236
  110   1HG1  VAL  16           HG12     VAL  16  -3.951   3.196  -4.108
  111   2HG1  VAL  16           HG13     VAL  16  -2.220   3.095  -3.603
  112   3HG1  VAL  16           HG11     VAL  16  -3.269   1.651  -3.469
  113   1HG2  VAL  16           HG23     VAL  16  -4.163   5.263  -2.484
  114   2HG2  VAL  16           HG21     VAL  16  -3.596   5.094  -0.779
  115   3HG2  VAL  16           HG22     VAL  16  -2.411   5.035  -2.127
  116    H    CYS  17           HN       CYS  17  -4.584   1.030   0.317
  117    HA   CYS  17           HA       CYS  17  -5.227  -1.339  -1.218
  118   1HB   CYS  17           HB2      CYS  17  -4.251  -0.680   1.601
  119   2HB   CYS  17           HB3      CYS  17  -4.891  -2.314   1.292
  120    H    GLN  18           HN       GLN  18  -7.126   0.964   0.618
  121    HA   GLN  18           HA       GLN  18  -9.212  -0.861   1.326
  122   1HB   GLN  18           HB2      GLN  18  -8.315   1.049   2.729
  123   2HB   GLN  18           HB3      GLN  18  -9.024   2.203   1.560
  124   1HG   GLN  18           HG2      GLN  18 -11.305   1.244   2.037
  125   2HG   GLN  18           HG3      GLN  18 -10.543   0.021   3.124
  126   1HE2  GLN  18           HE22     GLN  18 -11.435   3.752   4.552
  127   2HE2  GLN  18           HE21     GLN  18 -11.969   3.154   3.015
  128    H    ARG  19           HN       ARG  19  -8.431   1.581  -1.163
  129    HA   ARG  19           HA       ARG  19 -11.071   1.603  -2.325
  130   1HB   ARG  19           HB2      ARG  19  -8.477   3.089  -2.762
  131   2HB   ARG  19           HB3      ARG  19  -9.686   3.134  -4.078
  132   1HG   ARG  19           HG2      ARG  19 -10.700   3.750  -1.296
  133   2HG   ARG  19           HG3      ARG  19  -9.637   4.951  -2.101
  134   1HD   ARG  19           HD2      ARG  19 -12.087   5.410  -2.506
  135   2HD   ARG  19           HD3      ARG  19 -11.116   5.180  -4.009
  136    HE   ARG  19           HE       ARG  19 -11.984   2.885  -4.228
  137   1HH1  ARG  19           HH12     ARG  19 -13.869   4.984  -2.019
  138   2HH1  ARG  19           HH11     ARG  19 -15.325   4.064  -2.205
  139   1HH2  ARG  19           HH22     ARG  19 -13.935   1.695  -4.454
  140   2HH2  ARG  19           HH21     ARG  19 -15.365   2.175  -3.603
  141    H    LEU  20           HN       LEU  20  -8.034  -0.188  -2.871
  142    HA   LEU  20           HA       LEU  20  -8.838  -0.993  -5.527
  143   1HB   LEU  20           HB2      LEU  20  -6.496  -0.396  -5.165
  144   2HB   LEU  20           HB3      LEU  20  -6.355  -1.613  -3.866
  145    HG   LEU  20           HG       LEU  20  -6.763  -3.432  -5.448
  146   1HD1  LEU  20           HD12     LEU  20  -6.870  -1.287  -7.681
  147   2HD1  LEU  20           HD13     LEU  20  -6.778  -3.064  -7.955
  148   3HD1  LEU  20           HD11     LEU  20  -8.231  -2.355  -7.177
  149   1HD2  LEU  20           HD23     LEU  20  -4.430  -2.693  -5.080
  150   2HD2  LEU  20           HD21     LEU  20  -4.669  -3.398  -6.721
  151   3HD2  LEU  20           HD22     LEU  20  -4.551  -1.611  -6.529
  152    H    HIS  21           HN       HIS  21  -8.351  -2.450  -2.195
  153    HA   HIS  21           HA       HIS  21  -9.744  -4.873  -3.103
  154   1HB   HIS  21           HB2      HIS  21  -7.533  -4.493  -0.997
  155   2HB   HIS  21           HB3      HIS  21  -8.405  -6.035  -1.335
  156    HD1  HIS  21           HD1      HIS  21  -7.974  -7.026  -3.848
  157    HD2  HIS  21           HD2      HIS  21  -5.373  -3.949  -2.664
  158    HE1  HIS  21           HE1      HIS  21  -5.935  -7.063  -5.389
  159    H    ASN  22           HN       ASN  22  -9.123  -4.742   0.141
  160    HA   ASN  22           HA       ASN  22 -11.191  -3.192   1.190
  161   1HB   ASN  22           HB2      ASN  22 -12.830  -5.003   1.929
  162   2HB   ASN  22           HB3      ASN  22 -12.899  -4.593   0.205
  163   1HD2  ASN  22           HD22     ASN  22 -11.962  -7.810  -1.020
  164   2HD2  ASN  22           HD21     ASN  22 -12.125  -6.127  -1.401
  165    H    THR  23           HN       THR  23  -8.765  -3.077   1.971
  166    HA   THR  23           HA       THR  23  -8.712  -4.435   4.521
  167    HB   THR  23           HB       THR  23  -7.501  -5.919   2.816
  168    HG1  THR  23           HG1      THR  23  -5.915  -6.388   4.235
  169   1HG2  THR  23           HG21     THR  23  -6.286  -4.066   1.565
  170   2HG2  THR  23           HG22     THR  23  -5.267  -3.802   3.039
  171   3HG2  THR  23           HG23     THR  23  -5.207  -5.369   2.177
  172    H    SER  24           HN       SER  24  -6.325  -3.422   5.416
  173    HA   SER  24           HA       SER  24  -6.304  -0.565   4.779
  174   1HB   SER  24           HB2      SER  24  -6.315   0.166   7.138
  175   2HB   SER  24           HB3      SER  24  -7.869  -0.575   6.634
  176    HG   SER  24           HG       SER  24  -5.829  -1.696   8.235
  177    H    ARG  25           HN       ARG  25  -4.710  -3.542   5.886
  178    HA   ARG  25           HA       ARG  25  -2.234  -2.156   6.451
  179   1HB   ARG  25           HB2      ARG  25  -1.462  -4.624   6.938
  180   2HB   ARG  25           HB3      ARG  25  -2.437  -3.706   8.099
  181   1HG   ARG  25           HG2      ARG  25  -3.891  -5.504   6.108
  182   2HG   ARG  25           HG3      ARG  25  -3.023  -6.214   7.500
  183   1HD   ARG  25           HD2      ARG  25  -4.629  -5.685   8.975
  184   2HD   ARG  25           HD3      ARG  25  -4.550  -3.929   8.494
  185    HE   ARG  25           HE       ARG  25  -5.994  -5.030   6.418
  186   1HH1  ARG  25           HH22     ARG  25  -6.395  -5.133   9.972
  187   2HH1  ARG  25           HH21     ARG  25  -8.127  -5.127   9.910
  188   1HH2  ARG  25           HH12     ARG  25  -8.319  -5.034   6.362
  189   2HH2  ARG  25           HH11     ARG  25  -9.233  -5.071   7.833
  190    H    GLY  26           HN       GLY  26  -0.691  -2.000   5.124
  191   1HA   GLY  26           HA1      GLY  26   0.137  -3.285   2.895
  192   2HA   GLY  26           HA2      GLY  26  -1.289  -2.281   2.380
  193    H    LYS  27           HN       LYS  27   2.026  -2.311   2.967
  194    HA   LYS  27           HA       LYS  27   2.273   0.476   3.851
  195   1HB   LYS  27           HB2      LYS  27   4.274  -1.858   4.157
  196   2HB   LYS  27           HB3      LYS  27   4.385  -0.213   4.885
  197   1HG   LYS  27           HG2      LYS  27   2.278  -0.769   6.209
  198   2HG   LYS  27           HG3      LYS  27   2.361  -2.432   5.513
  199   1HD   LYS  27           HD2      LYS  27   4.689  -2.677   6.493
  200   2HD   LYS  27           HD3      LYS  27   4.503  -1.062   7.254
  201   1HE   LYS  27           HE2      LYS  27   4.035  -2.843   8.914
  202   2HE   LYS  27           HE3      LYS  27   2.509  -1.929   8.569
  203   1HZ   LYS  27           HZ3      LYS  27   3.300  -4.535   7.373
  204   2HZ   LYS  27           HZ1      LYS  27   2.177  -4.301   8.627
  205   3HZ   LYS  27           HZ2      LYS  27   1.859  -3.687   7.074
  206    H    CYS  28           HN       CYS  28   5.273  -0.094   3.148
  207    HA   CYS  28           HA       CYS  28   5.271  -0.482   0.321
  208   1HB   CYS  28           HB2      CYS  28   6.317   1.830  -0.204
  209   2HB   CYS  28           HB3      CYS  28   4.586   1.741   0.163
  210    H    MET  29           HN       MET  29   7.529  -0.015  -0.580
  211    HA   MET  29           HA       MET  29   9.540  -1.102   1.210
  212   1HB   MET  29           HB2      MET  29   8.833  -2.168  -1.032
  213   2HB   MET  29           HB3      MET  29   9.712  -0.840  -1.826
  214   1HG   MET  29           HG2      MET  29  11.768  -1.569  -0.415
  215   2HG   MET  29           HG3      MET  29  10.767  -2.920   0.205
  216   1HE   MET  29           HE2      MET  29  13.645  -2.960  -1.177
  217   2HE   MET  29           HE3      MET  29  12.822  -4.399  -0.480
  218   3HE   MET  29           HE1      MET  29  13.527  -4.477  -2.131
  219    H    ASN  30           HN       ASN  30  11.113   0.401  -1.258
  220    HA   ASN  30           HA       ASN  30  11.855   2.665   0.350
  221   1HB   ASN  30           HB2      ASN  30  13.616   3.057  -1.413
  222   2HB   ASN  30           HB3      ASN  30  13.685   1.512  -0.527
  223   1HD2  ASN  30           HD22     ASN  30  13.166  -0.613  -3.329
  224   2HD2  ASN  30           HD21     ASN  30  13.172  -0.493  -1.602
  225    H    LYS  31           HN       LYS  31  10.110   2.197  -2.690
  226    HA   LYS  31           HA       LYS  31   9.605   5.114  -2.871
  227   1HB   LYS  31           HB2      LYS  31  10.686   3.257  -5.043
  228   2HB   LYS  31           HB3      LYS  31  10.022   4.882  -5.389
  229   1HG   LYS  31           HG2      LYS  31  11.746   6.002  -4.080
  230   2HG   LYS  31           HG3      LYS  31  12.417   4.423  -3.558
  231   1HD   LYS  31           HD2      LYS  31  13.867   5.123  -5.218
  232   2HD   LYS  31           HD3      LYS  31  12.865   3.855  -5.999
  233   1HE   LYS  31           HE2      LYS  31  12.406   6.920  -6.314
  234   2HE   LYS  31           HE3      LYS  31  13.423   5.928  -7.433
  235   1HZ   LYS  31           HZ3      LYS  31  11.488   4.597  -7.938
  236   2HZ   LYS  31           HZ1      LYS  31  10.524   5.553  -6.917
  237   3HZ   LYS  31           HZ2      LYS  31  11.241   6.239  -8.297
  238    H    LYS  32           HN       LYS  32   7.997   1.955  -2.987
  239    HA   LYS  32           HA       LYS  32   5.823   3.212  -4.499
  240   1HB   LYS  32           HB2      LYS  32   5.500   1.491  -5.983
  241   2HB   LYS  32           HB3      LYS  32   7.211   1.987  -6.162
  242   1HG   LYS  32           HG2      LYS  32   7.903  -0.006  -4.740
  243   2HG   LYS  32           HG3      LYS  32   6.176  -0.529  -4.698
  244   1HD   LYS  32           HD2      LYS  32   6.203  -0.396  -7.253
  245   2HD   LYS  32           HD3      LYS  32   7.998  -0.353  -7.132
  246   1HE   LYS  32           HE2      LYS  32   6.105  -2.581  -6.064
  247   2HE   LYS  32           HE3      LYS  32   7.205  -2.710  -7.497
  248   1HZ   LYS  32           HZ2      LYS  32   9.072  -2.405  -5.995
  249   2HZ   LYS  32           HZ3      LYS  32   8.020  -2.331  -4.662
  250   3HZ   LYS  32           HZ1      LYS  32   8.131  -3.757  -5.577
  251   1HN   ABA  33           HN       ABA  33   3.753   2.241  -4.136
  252    HA   ABA  33           HA       ABA  33   3.357   1.302  -1.491
  253   1HB   ABA  33           HB3      ABA  33   1.458   1.792  -3.817
  254   2HB   ABA  33           HB2      ABA  33   1.936   2.941  -2.528
  255   1HG   ABA  33           HG1      ABA  33   0.976   1.448  -0.787
  256   2HG   ABA  33           HG2      ABA  33  -0.256   2.047  -1.974
  257   3HG   ABA  33           HG3      ABA  33   0.328   0.348  -2.042
  258    H    ARG  34           HN       ARG  34   2.681  -0.743  -0.824
  259    HA   ARG  34           HA       ARG  34   2.296  -2.914  -2.761
  260   1HB   ARG  34           HB2      ARG  34   4.143  -2.857  -0.309
  261   2HB   ARG  34           HB3      ARG  34   3.381  -4.398  -0.834
  262   1HG   ARG  34           HG2      ARG  34   4.274  -4.124  -3.105
  263   2HG   ARG  34           HG3      ARG  34   5.234  -2.695  -2.582
  264   1HD   ARG  34           HD2      ARG  34   6.633  -4.008  -1.127
  265   2HD   ARG  34           HD3      ARG  34   5.460  -5.374  -1.061
  266    HE   ARG  34           HE       ARG  34   7.433  -4.778  -3.228
  267   1HH1  ARG  34           HH22     ARG  34   4.566  -6.687  -2.265
  268   2HH1  ARG  34           HH21     ARG  34   4.793  -7.893  -3.489
  269   1HH2  ARG  34           HH12     ARG  34   7.716  -6.410  -4.863
  270   2HH2  ARG  34           HH11     ARG  34   6.603  -7.733  -4.978
  271    H    CYS  35           HN       CYS  35   1.389  -4.818  -1.111
  272    HA   CYS  35           HA       CYS  35  -0.524  -3.704   0.712
  273   1HB   CYS  35           HB2      CYS  35  -1.456  -3.828  -1.813
  274   2HB   CYS  35           HB3      CYS  35  -1.728  -5.537  -1.414
  275    H    TYR  36           HN       TYR  36  -1.074  -5.152   2.200
  276    HA   TYR  36           HA       TYR  36   0.518  -7.641   2.346
  277   1HB   TYR  36           HB2      TYR  36   0.700  -5.087   4.047
  278   2HB   TYR  36           HB3      TYR  36   1.253  -6.659   4.733
  279    HD1  TYR  36           HD2      TYR  36   2.750  -8.002   2.660
  280    HD2  TYR  36           HD1      TYR  36   2.508  -3.812   3.545
  281    HE1  TYR  36           HE2      TYR  36   4.998  -7.668   1.702
  282    HE2  TYR  36           HE1      TYR  36   4.759  -3.464   2.592
  283    HH   TYR  36           HH       TYR  36   6.543  -4.423   1.623
  284    H    SER  37           HN       SER  37  -1.834  -8.244   1.916
  285    HA   SER  37           HA       SER  37  -3.022  -8.866   4.526
  286   1HB   SER  37           HB2      SER  37  -4.393  -7.030   3.489
  287   2HB   SER  37           HB3      SER  37  -4.598  -8.031   2.008
  288    HG   SER  37           HG       SER  37  -6.327  -8.194   3.466
   
  No H/Q in entry =         288
  Start of MODEL   30
    1    HA   PCA   1           HA       PGL   1   3.184  -7.137  -7.385
    2   1HB   PCA   1           HB2      PGL   1   3.442  -6.204  -4.480
    3   2HB   PCA   1           HB3      PGL   1   4.349  -7.507  -5.331
    4   1HG   PCA   1           HG2      PGL   1   5.340  -4.907  -4.824
    5   2HG   PCA   1           HG3      PGL   1   5.894  -5.919  -6.233
    6    HN   PCA   1           HN       PGL   1   2.544  -4.703  -7.842
    7    H    PHE   2           HN       PHE   2   1.443  -4.620  -5.548
    8    HA   PHE   2           HA       PHE   2  -1.064  -6.115  -5.703
    9   1HB   PHE   2           HB2      PHE   2   0.150  -4.648  -3.304
   10   2HB   PHE   2           HB3      PHE   2  -1.637  -4.648  -3.517
   11    HD1  PHE   2           HD1      PHE   2   1.324  -6.881  -2.974
   12    HD2  PHE   2           HD2      PHE   2  -2.959  -6.555  -3.171
   13    HE1  PHE   2           HE1      PHE   2   1.103  -9.102  -1.913
   14    HE2  PHE   2           HE2      PHE   2  -3.178  -8.776  -2.112
   15    HZ   PHE   2           HZ       PHE   2  -1.147 -10.054  -1.472
   16    H    THR   3           HN       THR   3   0.772  -3.237  -5.639
   17    HA   THR   3           HA       THR   3  -1.156  -1.671  -7.196
   18    HB   THR   3           HB       THR   3  -0.641   0.305  -5.558
   19    HG1  THR   3           HG1      THR   3  -0.021  -0.231  -3.585
   20   1HG2  THR   3           HG22     THR   3  -2.422  -1.993  -4.519
   21   2HG2  THR   3           HG23     THR   3  -2.477  -0.278  -4.005
   22   3HG2  THR   3           HG21     THR   3  -2.882  -0.711  -5.716
   23    H    ASN   4           HN       ASN   4   0.065   0.504  -7.817
   24    HA   ASN   4           HA       ASN   4   2.940   0.294  -7.877
   25   1HB   ASN   4           HB2      ASN   4   2.997   0.617 -10.399
   26   2HB   ASN   4           HB3      ASN   4   2.504  -1.013  -9.875
   27   1HD2  ASN   4           HD22     ASN   4   0.035   1.184 -12.286
   28   2HD2  ASN   4           HD21     ASN   4   1.604   1.733 -11.803
   29    H    VAL   5           HN       VAL   5   1.626   1.934  -6.278
   30    HA   VAL   5           HA       VAL   5   1.508   4.568  -7.578
   31    HB   VAL   5           HB       VAL   5   0.956   4.180  -4.614
   32   1HG1  VAL   5           HG12     VAL   5  -0.283   5.889  -6.894
   33   2HG1  VAL   5           HG13     VAL   5  -0.743   5.947  -5.152
   34   3HG1  VAL   5           HG11     VAL   5   0.889   6.493  -5.663
   35   1HG2  VAL   5           HG22     VAL   5  -0.886   3.244  -6.890
   36   2HG2  VAL   5           HG23     VAL   5  -0.259   2.311  -5.461
   37   3HG2  VAL   5           HG21     VAL   5  -1.429   3.657  -5.226
   38    H    SER   6           HN       SER   6   2.536   6.223  -5.621
   39    HA   SER   6           HA       SER   6   5.269   5.252  -5.093
   40   1HB   SER   6           HB2      SER   6   5.907   7.715  -4.955
   41   2HB   SER   6           HB3      SER   6   5.541   7.036  -6.567
   42    HG   SER   6           HG       SER   6   4.576   9.044  -6.229
   43    H    CYS   7           HN       CYS   7   5.917   5.065  -3.104
   44    HA   CYS   7           HA       CYS   7   4.424   6.419  -0.896
   45   1HB   CYS   7           HB2      CYS   7   3.273   4.430  -1.026
   46   2HB   CYS   7           HB3      CYS   7   4.721   3.426  -1.093
   47    H    THR   8           HN       THR   8   5.590   6.793   0.904
   48    HA   THR   8           HA       THR   8   8.400   5.978   1.089
   49    HB   THR   8           HB       THR   8   8.965   8.260   2.084
   50    HG1  THR   8           HG1      THR   8   6.634   8.945   0.606
   51   1HG2  THR   8           HG23     THR   8   9.773   7.409  -0.133
   52   2HG2  THR   8           HG21     THR   8   8.319   8.112  -0.934
   53   3HG2  THR   8           HG22     THR   8   9.516   9.191  -0.129
   54    H    THR   9           HN       THR   9   5.490   7.392   2.684
   55    HA   THR   9           HA       THR   9   6.279   6.248   5.273
   56    HB   THR   9           HB       THR   9   4.415   7.776   6.152
   57    HG1  THR   9           HG1      THR   9   3.993   9.539   4.807
   58   1HG2  THR   9           HG22     THR   9   6.882   8.992   4.745
   59   2HG2  THR   9           HG23     THR   9   5.910   9.764   6.058
   60   3HG2  THR   9           HG21     THR   9   6.839   8.252   6.390
   61    H    SER  10           HN       SER  10   5.189   4.575   6.139
   62    HA   SER  10           HA       SER  10   3.024   3.331   4.674
   63   1HB   SER  10           HB2      SER  10   3.390   1.420   6.312
   64   2HB   SER  10           HB3      SER  10   4.775   1.836   5.255
   65    HG   SER  10           HG       SER  10   5.632   3.048   6.972
   66    H    LYS  11           HN       LYS  11   1.544   5.046   5.051
   67    HA   LYS  11           HA       LYS  11  -0.339   4.595   7.023
   68   1HB   LYS  11           HB2      LYS  11   1.268   5.861   8.543
   69   2HB   LYS  11           HB3      LYS  11   1.135   7.278   7.460
   70   1HG   LYS  11           HG2      LYS  11  -1.337   7.393   7.965
   71   2HG   LYS  11           HG3      LYS  11  -1.202   5.880   8.929
   72   1HD   LYS  11           HD2      LYS  11   0.343   7.054  10.520
   73   2HD   LYS  11           HD3      LYS  11   0.167   8.566   9.555
   74   1HE   LYS  11           HE2      LYS  11  -2.319   8.567  10.034
   75   2HE   LYS  11           HE3      LYS  11  -2.121   7.054  11.009
   76   1HZ   LYS  11           HZ3      LYS  11  -0.645   8.265  12.474
   77   2HZ   LYS  11           HZ1      LYS  11  -0.848   9.683  11.560
   78   3HZ   LYS  11           HZ2      LYS  11  -2.172   9.001  12.376
   79    H    GLU  12           HN       GLU  12   1.263   6.847   4.706
   80    HA   GLU  12           HA       GLU  12  -0.728   8.344   3.774
   81   1HB   GLU  12           HB2      GLU  12   1.859   8.205   3.478
   82   2HB   GLU  12           HB3      GLU  12   1.573   7.233   2.037
   83   1HG   GLU  12           HG2      GLU  12   0.386  10.054   2.557
   84   2HG   GLU  12           HG3      GLU  12   1.980   9.765   1.772
   85   1HN   ABA  13           HN       ABA  13   0.137   5.079   2.617
   86    HA   ABA  13           HA       ABA  13  -1.756   5.181   0.367
   87   1HB   ABA  13           HB3      ABA  13   0.560   4.922  -0.236
   88   2HB   ABA  13           HB2      ABA  13  -0.334   3.431  -0.594
   89   1HG   ABA  13           HG1      ABA  13   1.511   3.954   1.833
   90   2HG   ABA  13           HG2      ABA  13   0.675   2.374   1.504
   91   3HG   ABA  13           HG3      ABA  13   1.895   3.027   0.337
   92    H    TRP  14           HN       TRP  14  -2.602   4.650   3.182
   93    HA   TRP  14           HA       TRP  14  -3.366   1.866   3.243
   94   1HB   TRP  14           HB2      TRP  14  -3.759   4.200   5.182
   95   2HB   TRP  14           HB3      TRP  14  -4.513   2.586   5.449
   96    HD1  TRP  14           HD1      TRP  14  -0.779   2.968   4.205
   97    HE1  TRP  14           HE1      TRP  14   0.590   1.550   5.750
   98    HE3  TRP  14           HE3      TRP  14  -4.363   2.005   7.735
   99    HZ2  TRP  14           HZ2      TRP  14   0.272   0.186   8.237
  100    HZ3  TRP  14           HZ3      TRP  14  -3.754   0.592   9.676
  101    HH2  TRP  14           HH2      TRP  14  -1.483  -0.377   9.863
  102    H    SER  15           HN       SER  15  -4.825   4.918   2.129
  103    HA   SER  15           HA       SER  15  -7.481   3.808   1.935
  104   1HB   SER  15           HB2      SER  15  -8.058   6.107   1.058
  105   2HB   SER  15           HB3      SER  15  -7.393   6.078   2.721
  106    HG   SER  15           HG       SER  15  -5.912   6.649   0.376
  107    H    VAL  16           HN       VAL  16  -4.698   3.275   0.348
  108    HA   VAL  16           HA       VAL  16  -5.805   3.130  -2.378
  109    HB   VAL  16           HB       VAL  16  -2.987   2.472  -1.373
  110   1HG1  VAL  16           HG12     VAL  16  -3.687   1.326  -3.554
  111   2HG1  VAL  16           HG13     VAL  16  -4.101   2.943  -4.223
  112   3HG1  VAL  16           HG11     VAL  16  -2.401   2.550  -3.761
  113   1HG2  VAL  16           HG22     VAL  16  -4.115   5.027  -2.696
  114   2HG2  VAL  16           HG23     VAL  16  -3.484   4.893  -1.011
  115   3HG2  VAL  16           HG21     VAL  16  -2.370   4.666  -2.404
  116    H    CYS  17           HN       CYS  17  -4.522   1.038   0.291
  117    HA   CYS  17           HA       CYS  17  -5.204  -1.431  -0.717
  118   1HB   CYS  17           HB2      CYS  17  -4.885  -0.300   2.088
  119   2HB   CYS  17           HB3      CYS  17  -5.380  -2.007   1.886
  120    H    GLN  18           HN       GLN  18  -7.466   0.981   0.623
  121    HA   GLN  18           HA       GLN  18  -9.615  -0.943   0.938
  122   1HB   GLN  18           HB2      GLN  18  -9.672   2.088   1.326
  123   2HB   GLN  18           HB3      GLN  18 -10.973   0.898   1.748
  124   1HG   GLN  18           HG2      GLN  18  -9.470  -0.225   3.348
  125   2HG   GLN  18           HG3      GLN  18  -8.167   0.978   3.004
  126   1HE2  GLN  18           HE22     GLN  18 -10.045   3.755   4.542
  127   2HE2  GLN  18           HE21     GLN  18  -9.100   3.411   3.131
  128    H    ARG  19           HN       ARG  19  -8.582   1.622  -1.290
  129    HA   ARG  19           HA       ARG  19 -11.003   1.813  -2.783
  130   1HB   ARG  19           HB2      ARG  19  -8.273   3.047  -2.813
  131   2HB   ARG  19           HB3      ARG  19  -9.115   3.115  -4.378
  132   1HG   ARG  19           HG2      ARG  19 -10.849   3.926  -2.072
  133   2HG   ARG  19           HG3      ARG  19  -9.416   4.969  -2.368
  134   1HD   ARG  19           HD2      ARG  19 -11.469   5.763  -3.618
  135   2HD   ARG  19           HD3      ARG  19 -10.037   5.392  -4.673
  136    HE   ARG  19           HE       ARG  19 -11.962   3.138  -4.285
  137   1HH1  ARG  19           HH12     ARG  19 -11.084   5.928  -6.347
  138   2HH1  ARG  19           HH11     ARG  19 -11.810   5.263  -7.774
  139   1HH2  ARG  19           HH22     ARG  19 -12.920   2.270  -6.214
  140   2HH2  ARG  19           HH21     ARG  19 -12.863   3.164  -7.697
  141    H    LEU  20           HN       LEU  20  -8.082  -0.111  -3.096
  142    HA   LEU  20           HA       LEU  20  -8.630  -1.045  -5.802
  143   1HB   LEU  20           HB2      LEU  20  -6.377  -1.189  -3.779
  144   2HB   LEU  20           HB3      LEU  20  -6.449  -2.496  -5.000
  145    HG   LEU  20           HG       LEU  20  -4.936  -0.677  -5.502
  146   1HD1  LEU  20           HD13     LEU  20  -5.785  -2.220  -7.255
  147   2HD1  LEU  20           HD11     LEU  20  -7.145  -1.089  -7.618
  148   3HD1  LEU  20           HD12     LEU  20  -5.445  -0.590  -7.945
  149   1HD2  LEU  20           HD21     LEU  20  -6.209   1.353  -4.792
  150   2HD2  LEU  20           HD22     LEU  20  -5.645   1.479  -6.494
  151   3HD2  LEU  20           HD23     LEU  20  -7.370   1.104  -6.150
  152    H    HIS  21           HN       HIS  21  -7.928  -2.545  -2.587
  153    HA   HIS  21           HA       HIS  21  -9.623  -4.842  -3.273
  154   1HB   HIS  21           HB2      HIS  21  -7.385  -4.528  -1.196
  155   2HB   HIS  21           HB3      HIS  21  -8.316  -6.038  -1.552
  156    HD1  HIS  21           HD1      HIS  21  -7.956  -6.914  -4.169
  157    HD2  HIS  21           HD2      HIS  21  -5.256  -3.992  -2.839
  158    HE1  HIS  21           HE1      HIS  21  -5.982  -6.860  -5.793
  159    H    ASN  22           HN       ASN  22  -8.899  -4.495  -0.005
  160    HA   ASN  22           HA       ASN  22 -10.811  -2.862   1.057
  161   1HB   ASN  22           HB2      ASN  22 -12.634  -4.559   1.849
  162   2HB   ASN  22           HB3      ASN  22 -12.720  -3.931   0.194
  163   1HD2  ASN  22           HD22     ASN  22 -13.256  -7.186  -0.993
  164   2HD2  ASN  22           HD21     ASN  22 -13.813  -5.552  -0.826
  165    H    THR  23           HN       THR  23  -8.434  -3.012   1.966
  166    HA   THR  23           HA       THR  23  -8.698  -4.382   4.491
  167    HB   THR  23           HB       THR  23  -7.603  -6.083   2.997
  168    HG1  THR  23           HG1      THR  23  -6.129  -5.157   5.199
  169   1HG2  THR  23           HG21     THR  23  -6.129  -4.526   1.663
  170   2HG2  THR  23           HG22     THR  23  -5.150  -4.206   3.148
  171   3HG2  THR  23           HG23     THR  23  -5.211  -5.855   2.456
  172    H    SER  24           HN       SER  24  -6.406  -3.724   5.742
  173    HA   SER  24           HA       SER  24  -5.927  -0.888   5.291
  174   1HB   SER  24           HB2      SER  24  -7.107  -1.981   7.935
  175   2HB   SER  24           HB3      SER  24  -6.477  -0.307   7.670
  176    HG   SER  24           HG       SER  24  -8.720  -0.492   7.516
  177    H    ARG  25           HN       ARG  25  -4.660  -3.771   5.318
  178    HA   ARG  25           HA       ARG  25  -2.322  -3.070   6.990
  179   1HB   ARG  25           HB2      ARG  25  -3.132  -5.782   5.809
  180   2HB   ARG  25           HB3      ARG  25  -1.535  -5.398   6.540
  181   1HG   ARG  25           HG2      ARG  25  -2.580  -6.479   8.263
  182   2HG   ARG  25           HG3      ARG  25  -2.772  -4.755   8.692
  183   1HD   ARG  25           HD2      ARG  25  -4.864  -6.077   9.175
  184   2HD   ARG  25           HD3      ARG  25  -5.178  -4.836   7.916
  185    HE   ARG  25           HE       ARG  25  -5.423  -6.495   6.267
  186   1HH1  ARG  25           HH12     ARG  25  -4.204  -8.052   9.255
  187   2HH1  ARG  25           HH11     ARG  25  -4.470  -9.661   8.665
  188   1HH2  ARG  25           HH22     ARG  25  -5.788  -8.640   5.528
  189   2HH2  ARG  25           HH21     ARG  25  -5.379  -9.999   6.523
  190    H    GLY  26           HN       GLY  26  -0.739  -2.184   5.915
  191   1HA   GLY  26           HA1      GLY  26  -0.089  -2.698   3.189
  192   2HA   GLY  26           HA2      GLY  26  -0.940  -1.114   3.498
  193    H    LYS  27           HN       LYS  27   1.969  -2.179   2.923
  194    HA   LYS  27           HA       LYS  27   3.284  -0.118   4.431
  195   1HB   LYS  27           HB2      LYS  27   3.793  -1.829   6.000
  196   2HB   LYS  27           HB3      LYS  27   3.944  -3.088   4.740
  197   1HG   LYS  27           HG2      LYS  27   6.070  -2.237   4.000
  198   2HG   LYS  27           HG3      LYS  27   5.932  -0.769   5.050
  199   1HD   LYS  27           HD2      LYS  27   6.055  -2.229   7.075
  200   2HD   LYS  27           HD3      LYS  27   6.190  -3.684   6.017
  201   1HE   LYS  27           HE2      LYS  27   8.335  -2.778   5.041
  202   2HE   LYS  27           HE3      LYS  27   8.198  -1.319   6.101
  203   1HZ   LYS  27           HZ3      LYS  27   8.452  -4.135   7.023
  204   2HZ   LYS  27           HZ1      LYS  27   9.678  -2.959   7.000
  205   3HZ   LYS  27           HZ2      LYS  27   8.330  -2.759   8.014
  206    H    CYS  28           HN       CYS  28   5.288   0.397   3.275
  207    HA   CYS  28           HA       CYS  28   5.362  -0.582   0.478
  208   1HB   CYS  28           HB2      CYS  28   5.904   1.760  -0.247
  209   2HB   CYS  28           HB3      CYS  28   4.266   1.559   0.431
  210    H    MET  29           HN       MET  29   7.506   0.118  -0.521
  211    HA   MET  29           HA       MET  29   9.619  -0.833   1.259
  212   1HB   MET  29           HB2      MET  29   8.751  -1.915  -0.976
  213   2HB   MET  29           HB3      MET  29   9.868  -0.785  -1.770
  214   1HG   MET  29           HG2      MET  29  10.498  -2.816   0.484
  215   2HG   MET  29           HG3      MET  29  10.707  -3.134  -1.259
  216   1HE   MET  29           HE3      MET  29  13.044  -4.074  -0.702
  217   2HE   MET  29           HE1      MET  29  14.343  -3.183   0.163
  218   3HE   MET  29           HE2      MET  29  12.840  -3.646   1.033
  219    H    ASN  30           HN       ASN  30  11.138   0.536  -1.311
  220    HA   ASN  30           HA       ASN  30  11.918   2.863   0.162
  221   1HB   ASN  30           HB2      ASN  30  13.647   3.173  -1.572
  222   2HB   ASN  30           HB3      ASN  30  13.672   1.566  -0.793
  223   1HD2  ASN  30           HD22     ASN  30  14.335   1.198  -4.470
  224   2HD2  ASN  30           HD21     ASN  30  15.011   2.151  -3.189
  225    H    LYS  31           HN       LYS  31  10.027   2.235  -2.750
  226    HA   LYS  31           HA       LYS  31   9.650   5.129  -3.217
  227   1HB   LYS  31           HB2      LYS  31  10.518   2.963  -5.195
  228   2HB   LYS  31           HB3      LYS  31   9.938   4.582  -5.705
  229   1HG   LYS  31           HG2      LYS  31  11.765   5.715  -4.588
  230   2HG   LYS  31           HG3      LYS  31  12.377   4.171  -3.902
  231   1HD   LYS  31           HD2      LYS  31  12.792   3.264  -6.161
  232   2HD   LYS  31           HD3      LYS  31  12.225   4.810  -6.902
  233   1HE   LYS  31           HE2      LYS  31  14.099   6.054  -5.809
  234   2HE   LYS  31           HE3      LYS  31  14.634   4.543  -4.960
  235   1HZ   LYS  31           HZ1      LYS  31  14.542   4.937  -7.904
  236   2HZ   LYS  31           HZ2      LYS  31  15.926   5.025  -6.919
  237   3HZ   LYS  31           HZ3      LYS  31  15.090   3.553  -7.076
  238    H    LYS  32           HN       LYS  32   7.910   1.986  -3.005
  239    HA   LYS  32           HA       LYS  32   5.748   3.178  -4.549
  240   1HB   LYS  32           HB2      LYS  32   5.475   1.461  -6.074
  241   2HB   LYS  32           HB3      LYS  32   7.132   2.103  -6.244
  242   1HG   LYS  32           HG2      LYS  32   7.936   0.153  -4.741
  243   2HG   LYS  32           HG3      LYS  32   6.302  -0.586  -5.005
  244   1HD   LYS  32           HD2      LYS  32   6.651  -0.639  -7.418
  245   2HD   LYS  32           HD3      LYS  32   8.143   0.351  -7.259
  246   1HE   LYS  32           HE2      LYS  32   8.713  -2.062  -7.663
  247   2HE   LYS  32           HE3      LYS  32   9.311  -1.499  -6.049
  248   1HZ   LYS  32           HZ2      LYS  32   7.377  -2.514  -5.047
  249   2HZ   LYS  32           HZ3      LYS  32   6.845  -3.071  -6.563
  250   3HZ   LYS  32           HZ1      LYS  32   8.306  -3.643  -5.911
  251   1HN   ABA  33           HN       ABA  33   3.711   2.129  -4.239
  252    HA   ABA  33           HA       ABA  33   3.305   1.357  -1.551
  253   1HB   ABA  33           HB3      ABA  33   1.435   1.682  -3.956
  254   2HB   ABA  33           HB2      ABA  33   1.891   2.919  -2.730
  255   1HG   ABA  33           HG1      ABA  33   0.885   1.529  -0.930
  256   2HG   ABA  33           HG2      ABA  33  -0.310   2.107  -2.163
  257   3HG   ABA  33           HG3      ABA  33   0.225   0.387  -2.141
  258    H    ARG  34           HN       ARG  34   2.587  -0.642  -0.764
  259    HA   ARG  34           HA       ARG  34   1.941  -2.798  -2.628
  260   1HB   ARG  34           HB2      ARG  34   4.404  -2.965  -1.595
  261   2HB   ARG  34           HB3      ARG  34   3.557  -3.463  -0.104
  262   1HG   ARG  34           HG2      ARG  34   2.381  -5.268  -1.571
  263   2HG   ARG  34           HG3      ARG  34   3.484  -4.750  -2.896
  264   1HD   ARG  34           HD2      ARG  34   5.467  -5.397  -1.442
  265   2HD   ARG  34           HD3      ARG  34   4.292  -5.898  -0.138
  266    HE   ARG  34           HE       ARG  34   3.719  -7.134  -2.750
  267   1HH1  ARG  34           HH12     ARG  34   5.786  -7.441   0.152
  268   2HH1  ARG  34           HH11     ARG  34   6.075  -9.133  -0.075
  269   1HH2  ARG  34           HH22     ARG  34   4.108  -9.405  -3.026
  270   2HH2  ARG  34           HH21     ARG  34   5.109 -10.264  -1.902
  271    H    CYS  35           HN       CYS  35   0.801  -4.580  -1.136
  272    HA   CYS  35           HA       CYS  35  -0.624  -3.407   1.089
  273   1HB   CYS  35           HB2      CYS  35  -1.943  -3.131  -1.199
  274   2HB   CYS  35           HB3      CYS  35  -2.192  -4.893  -1.106
  275    H    TYR  36           HN       TYR  36  -1.532  -5.219   2.365
  276    HA   TYR  36           HA       TYR  36   0.134  -7.650   2.167
  277   1HB   TYR  36           HB2      TYR  36   0.301  -5.267   4.049
  278   2HB   TYR  36           HB3      TYR  36   0.631  -6.887   4.789
  279    HD1  TYR  36           HD1      TYR  36   2.262  -8.412   3.206
  280    HD2  TYR  36           HD2      TYR  36   2.172  -4.126   3.386
  281    HE1  TYR  36           HE1      TYR  36   4.635  -8.320   2.511
  282    HE2  TYR  36           HE2      TYR  36   4.487  -4.013   2.678
  283    HH   TYR  36           HH       TYR  36   6.409  -7.006   2.055
  284    H    SER  37           HN       SER  37  -2.156  -8.248   1.551
  285    HA   SER  37           HA       SER  37  -4.046  -8.432   3.727
  286   1HB   SER  37           HB2      SER  37  -5.477  -9.632   2.075
  287   2HB   SER  37           HB3      SER  37  -4.935  -8.014   1.496
  288    HG   SER  37           HG       SER  37  -3.721 -10.496   0.855
   
  No H/Q in entry =         288
   
  No H/Q in entry =         288