*HEADER   FD COAT PROTEIN                         28-MAY-97   1FDM    
*TITLE    FD MAJOR COAT PROTEIN IN SDS MICELLES, NMR, 20 STRUCTURES   
*COMPND   MOL_ID: 1;                                                  
*COMPND  2 MOLECULE: FD MAJOR COAT PROTEIN;                           
*COMPND  3 CHAIN: NULL;                                               
*COMPND  4 SYNONYM: FD COAT PROTEIN;                                  
*COMPND  5 OTHER_DETAILS: IN SDS MICELLES                             
*SOURCE   MOL_ID: 1;                                                  
*SOURCE  2 ORGANISM_SCIENTIFIC: FD BACTERIOPHAGE;                     
*SOURCE  3 ORGANISM_COMMON: FD                                        
*KEYWDS   FD COAT PROTEIN, MEMBRANE PROTEIN, MICELLES, COAT PROTEIN   
*EXPDTA   NMR, 20 STRUCTURES                                          
*AUTHOR   F.C.L.ALMEIDA,S.J.OPELLA                                    
*REVDAT  1   17-SEP-97 1FDM    0                                      
 
  reset
  nrestraints=   679
 
{  NOE Restraints }
{ Beginning class WEAK}
class WEAK
 
assign (resid    2  and name HG+   ) (resid    2  and name HN    )   3.63  1.73  2.37
assign (resid    2  and name HB+   ) (resid    3  and name HN    )   3.43  1.53  2.57
assign (resid    7  and name HA    ) (resid    8  and name HN    )   3.50  1.60  1.50
assign (resid    5  and name HB+   ) (resid    8  and name HN    )   3.60  1.70  2.40
assign (resid    8  and name HA    ) (resid    9  and name HN    )   3.47  1.57  1.53
assign (resid    5  and name HB+   ) (resid    9  and name HN    )   4.13  2.23  1.87
assign (resid   12  and name HN    ) (resid   13  and name HN    )   3.02  1.12  1.98
assign (resid   14  and name HG    ) (resid   13  and name HN    )   3.61  1.71  1.39
assign (resid   15  and name HN    ) (resid   14  and name HN    )   3.01  1.11  1.99
assign (resid   13  and name HA    ) (resid   14  and name HN    )   3.79  1.89  1.21
assign (resid   15  and name HG+   ) (resid   15  and name HN    )   3.33  1.43  2.67
assign (resid   20  and name HG+   ) (resid   20  and name HN    )   3.18  1.28  2.82
assign (resid   18  and name HB+   ) (resid   20  and name HN    )   3.72  1.82  2.28
assign (resid   21  and name HB1   ) (resid   21  and name HN    )   3.03  1.13  1.97
assign (resid   18  and name HB+   ) (resid   21  and name HN    )   4.14  2.24  1.86
assign (resid   23  and name HN    ) (resid   22  and name HN    )   3.50  1.60  1.50
assign (resid   24  and name HN    ) (resid   23  and name HN    )   3.11  1.21  1.89
assign (resid   20  and name HG+   ) (resid   23  and name HN    )   3.62  1.72  2.38
assign (resid   23  and name HN    ) (resid   24  and name HN    )   3.24  1.34  1.76
assign (resid   21  and name HA    ) (resid   22  and name HN    )   3.42  1.52  1.58
assign (resid   24  and name HA    ) (resid   24  and name HN    )   3.07  1.17  1.93
assign (resid   22  and name HA    ) (resid   22  and name HN    )   3.00  1.10  2.00
assign (resid   21  and name HB1   ) (resid   22  and name HN    )   4.28  2.38  0.72
assign (resid   18  and name HN    ) (resid   25  and name HN    )   3.88  1.98  1.12
assign (resid   21  and name HB2   ) (resid   22  and name HN    )   3.91  2.01  1.09
assign (resid   24  and name HA    ) (resid   25  and name HN    )   3.42  1.52  1.58
assign (resid   24  and name HB+   ) (resid   25  and name HN    )   3.35  1.45  2.65
assign (resid   26  and name HA    ) (resid   27  and name HN    )   3.09  1.19  1.91
assign (resid   27  and name HA    ) (resid   28  and name HN    )   3.46  1.56  1.54
assign (resid   26  and name HA    ) (resid   29  and name HN    )   3.61  1.71  1.39
assign (resid   27  and name HA    ) (resid   30  and name HN    )   3.32  1.42  1.68
assign (resid   28  and name HA    ) (resid   31  and name HN    )   3.27  1.37  1.73
assign (resid   33  and name HN    ) (resid   32  and name HN    )   3.06  1.16  1.94
assign (resid   35  and name HA    ) (resid   36  and name HN    )   3.74  1.84  1.26
assign (resid   36  and name HN    ) (resid   37  and name HN    )   3.02  1.12  1.98
assign (resid   36  and name HA    ) (resid   37  and name HN    )   3.12  1.22  1.88
assign (resid   35  and name HA    ) (resid   38  and name HN    )   3.54  1.64  1.46
assign (resid   35  and name HA    ) (resid   39  and name HN    )   3.62  1.72  1.38
assign (resid   37  and name HA    ) (resid   40  and name HN    )   3.20  1.30  1.80
assign (resid   38  and name HA+   ) (resid   41  and name HN    )   3.32  1.42  2.69
assign (resid   45  and name HA    ) (resid   46  and name HN    )   3.08  1.18  1.92
assign (resid   43  and name HA    ) (resid   46  and name HN    )   3.33  1.43  1.67
assign (resid   44  and name HB+   ) (resid   46  and name HN    )   3.55  1.65  2.45
assign (resid   44  and name HB+   ) (resid   47  and name HN    )   3.58  1.68  2.42
assign (resid   47  and name HB+   ) (resid   48  and name HN    )   3.27  1.37  2.73
assign (resid    8  and name HB+   ) (resid    5  and name HN    )   4.20  2.30  1.80
assign (resid   10  and name HB+   ) (resid   13  and name HN    )   3.31  1.41  2.69
assign (resid   22  and name HA    ) (resid   26  and name HN    )   3.14  1.24  1.86
assign (resid   38  and name HA+   ) (resid   42  and name HN    )   3.07  1.17  2.93
assign (resid   39  and name HN    ) (resid   42  and name HN    )   3.04  1.14  1.96
assign (resid   42  and name HA    ) (resid   42  and name HN    )   3.17  1.27  1.83
assign (resid   50  and name HN    ) (resid   45  and name HN    )   3.15  1.25  1.85
assign (resid   32  and name HB    ) (resid   34  and name HN    )   3.81  1.91  1.19
assign (resid   32  and name HB    ) (resid   36  and name HN    )   3.64  1.74  1.36
assign (resid   36  and name HG2+  ) (resid   36  and name HN    )   3.04  1.14  2.96
assign (resid   32  and name HG2+  ) (resid   36  and name HN    )   3.09  1.19  2.91
assign (resid   32  and name HG2+  ) (resid   30  and name HN    )   3.51  1.61  2.49
assign (resid   26  and name HD1   ) (resid   27  and name HN    )   3.49  1.59  1.51
assign (resid   22  and name HG2+  ) (resid   19  and name HN    )   3.95  2.05  2.05
assign (resid   21  and name HD1   ) (resid   21  and name HN    )   3.23  1.33  1.77
assign (resid   22  and name HG2+  ) (resid   21  and name HN    )   4.01  2.11  1.99
assign (resid   24  and name HD1   ) (resid   24  and name HN    )   3.75  1.85  1.25
assign (resid   22  and name HG2+  ) (resid   24  and name HN    )   4.63  2.73  1.37
assign (resid    8  and name HZ+   ) (resid    4  and name HN    )   3.39  1.49  2.61
assign (resid    6  and name HD1   ) (resid    5  and name HN    )   3.13  1.23  1.87
assign (resid    6  and name HD2   ) (resid    5  and name HN    )   3.10  1.20  1.90
assign (resid    6  and name HD1   ) (resid    7  and name HN    )   3.10  1.20  1.90
assign (resid    6  and name HB2   ) (resid    7  and name HN    )   4.42  2.52  0.58
assign (resid   19  and name HG2+  ) (resid   20  and name HN    )   3.38  1.48  2.62
assign (resid   22  and name HG2+  ) (resid   25  and name HN    )   4.38  2.48  1.62
assign (resid   14  and name HD++  ) (resid   14  and name HN    )   3.24  1.34  2.76
assign (resid   19  and name HG2+  ) (resid   18  and name HN    )   3.92  2.02  2.08
assign (resid   22  and name HG2+  ) (resid   26  and name HE1   )   3.28  1.38  2.72
assign (resid   15  and name HE22  ) (resid   21  and name HE1   )   3.60  1.70  1.40
assign (resid   15  and name HE22  ) (resid   21  and name HE2   )   3.97  2.07  1.03
assign (resid   24  and name HD+   ) (resid   21  and name HE+   )   3.25  1.35  5.95
assign (resid   21  and name HB2   ) (resid   21  and name HE+   )   3.99  2.09  3.21
assign (resid   19  and name HG2+  ) (resid   21  and name HE+   )   4.02  2.12  4.18
assign (resid   21  and name HB2   ) (resid   21  and name HD+   )   3.03  1.13  4.17
assign (resid   22  and name HG2+  ) (resid   24  and name HE+   )   3.70  1.80  4.50
assign (resid   24  and name HB1   ) (resid   24  and name HD+   )   3.34  1.44  3.86
assign (resid   27  and name HB+   ) (resid   24  and name HD+   )   4.04  2.14  5.16
assign (resid   21  and name HA    ) (resid   24  and name HD+   )   3.28  1.38  3.92
assign (resid   27  and name HA    ) (resid   26  and name HD1   )   4.09  2.19  0.91
assign (resid   24  and name HB2   ) (resid   26  and name HZ2   )   3.32  1.42  1.68
assign (resid   29  and name HB    ) (resid   26  and name HE3   )   3.77  1.87  1.23
assign (resid   22  and name HG2+  ) (resid   26  and name HE3   )   3.78  1.88  2.22
assign (resid   27  and name HA    ) (resid   26  and name HE3   )   3.96  2.06  1.04
assign (resid   12  and name HN    ) (resid   11  and name HD+   )   3.89  1.99  3.31
assign (resid   11  and name HN    ) (resid   11  and name HD+   )   3.74  1.84  3.46
assign (resid   15  and name HE21  ) (resid   11  and name HD+   )   3.65  1.75  3.55
assign (resid   12  and name HA    ) (resid   11  and name HD+   )   3.66  1.76  3.54
assign (resid   11  and name HB2   ) (resid   11  and name HD+   )   3.07  1.17  4.13
assign (resid   11  and name HB1   ) (resid   11  and name HD+   )   3.16  1.26  4.04
assign (resid   14  and name HB+   ) (resid   11  and name HE+   )   3.94  2.04  4.26
assign (resid   11  and name HB2   ) (resid   11  and name HE+   )   3.09  1.19  4.11
assign (resid   43  and name HN    ) (resid   42  and name HD+   )   3.91  2.01  3.29
assign (resid   42  and name HN    ) (resid   42  and name HD+   )   3.93  2.03  3.27
assign (resid   39  and name HA    ) (resid   42  and name HD+   )   3.88  1.98  3.32
assign (resid   45  and name HN    ) (resid   45  and name HD+   )   3.95  2.05  3.25
assign (resid   46  and name HA    ) (resid   45  and name HD+   )   3.85  1.95  3.35
assign (resid   20  and name HG2   ) (resid   15  and name HE21  )   4.05  2.15  0.95
assign (resid   24  and name HA    ) (resid   24  and name HE1   )   4.05  2.15  0.95
assign (resid   24  and name HN    ) (resid   24  and name HD+   )   3.44  1.54  3.76
assign (resid   24  and name HA    ) (resid   24  and name HD1   )   3.08  1.18  1.92
assign (resid   26  and name HA    ) (resid   26  and name HD1   )   3.89  1.99  1.11
assign (resid   26  and name HB+   ) (resid   26  and name HD1   )   3.50  1.60  3.50
assign (resid   26  and name HE1   ) (resid   26  and name HH2   )   3.61  1.71  1.39
assign (resid   26  and name HB+   ) (resid   26  and name HE3   )   3.53  1.63  3.47
assign (resid   22  and name HD1+  ) (resid   26  and name HE3   )   3.81  1.91  2.19
assign (resid    8  and name HA    ) (resid   11  and name HD+   )   3.92  2.02  3.28
assign (resid   42  and name HA    ) (resid   42  and name HD+   )   3.15  1.25  4.05
assign (resid   41  and name HA    ) (resid   45  and name HD1   )   3.88  1.98  3.32
assign (resid   46  and name HB    ) (resid   45  and name HD2   )   3.27  1.37  3.93
assign (resid   45  and name HB2   ) (resid   45  and name HD+   )   3.48  1.58  3.72
{ Beginning class MED }
class MED 
 
assign (resid    2  and name HB+   ) (resid    2  and name HN    )   2.76  0.86  1.24
assign (resid    2  and name HA    ) (resid    3  and name HN    )   2.64  0.74  0.36
assign (resid    3  and name HN    ) (resid    4  and name HN    )   2.69  0.79  0.31
assign (resid    4  and name HA    ) (resid    4  and name HN    )   2.84  0.94  0.16
assign (resid    3  and name HA+   ) (resid    4  and name HN    )   2.69  0.79  1.31
assign (resid    5  and name HA    ) (resid    5  and name HN    )   2.68  0.78  0.32
assign (resid    5  and name HB+   ) (resid    5  and name HN    )   2.67  0.77  1.33
assign (resid    8  and name HN    ) (resid    7  and name HN    )   2.60  0.70  0.40
assign (resid    7  and name HA    ) (resid    7  and name HN    )   2.62  0.72  0.38
assign (resid    8  and name HA    ) (resid    8  and name HN    )   2.76  0.86  0.25
assign (resid    8  and name HN    ) (resid    9  and name HN    )   2.65  0.75  0.35
assign (resid    8  and name HB+   ) (resid    9  and name HN    )   2.72  0.82  1.28
assign (resid   11  and name HN    ) (resid   10  and name HN    )   2.99  1.09  0.01
assign (resid   12  and name HN    ) (resid   11  and name HN    )   2.99  1.09  0.01
assign (resid   11  and name HN    ) (resid   12  and name HN    )   2.96  1.06  0.04
assign (resid   12  and name HA    ) (resid   12  and name HN    )   2.86  0.96  0.14
assign (resid   11  and name HB+   ) (resid   12  and name HN    )   2.72  0.82  1.28
assign (resid   13  and name HA    ) (resid   13  and name HN    )   2.73  0.83  0.27
assign (resid   12  and name HB+   ) (resid   13  and name HN    )   2.84  0.94  1.16
assign (resid   10  and name HA    ) (resid   14  and name HN    )   2.73  0.83  0.27
assign (resid   10  and name HB+   ) (resid   14  and name HN    )   2.85  0.95  1.15
assign (resid   14  and name HN    ) (resid   15  and name HN    )   2.78  0.88  0.22
assign (resid   16  and name HN    ) (resid   15  and name HN    )   2.85  0.95  0.15
assign (resid   14  and name HG    ) (resid   15  and name HN    )   2.52  0.62  0.48
assign (resid   15  and name HN    ) (resid   16  and name HN    )   2.89  0.99  0.11
assign (resid   16  and name HA    ) (resid   16  and name HN    )   2.74  0.84  0.26
assign (resid   16  and name HA    ) (resid   17  and name HN    )   2.77  0.87  0.23
assign (resid   17  and name HA    ) (resid   17  and name HN    )   2.86  0.96  0.14
assign (resid   16  and name HB+   ) (resid   17  and name HN    )   2.56  0.66  1.44
assign (resid   17  and name HA    ) (resid   18  and name HN    )   2.71  0.81  0.29
assign (resid   18  and name HN    ) (resid   19  and name HN    )   2.93  1.03  0.07
assign (resid   20  and name HB+   ) (resid   20  and name HN    )   2.51  0.61  1.49
assign (resid   20  and name HA    ) (resid   20  and name HN    )   2.65  0.75  0.35
assign (resid   20  and name HB+   ) (resid   21  and name HN    )   2.89  0.99  1.11
assign (resid   22  and name HN    ) (resid   21  and name HN    )   2.84  0.94  0.16
assign (resid   21  and name HA    ) (resid   21  and name HN    )   2.97  1.07  0.03
assign (resid   20  and name HA    ) (resid   21  and name HN    )   2.75  0.85  0.25
assign (resid   21  and name HB2   ) (resid   21  and name HN    )   2.84  0.94  0.16
assign (resid   20  and name HB+   ) (resid   22  and name HN    )   2.81  0.91  1.19
assign (resid   21  and name HN    ) (resid   22  and name HN    )   2.98  1.08  0.02
assign (resid   24  and name HB+   ) (resid   24  and name HN    )   2.86  0.96  1.14
assign (resid   24  and name HN    ) (resid   25  and name HN    )   2.86  0.96  0.14
assign (resid   18  and name HN    ) (resid   26  and name HN    )   2.84  0.94  2.16
assign (resid   27  and name HN    ) (resid   26  and name HN    )   2.82  0.92  0.18
assign (resid   27  and name HA    ) (resid   27  and name HN    )   2.68  0.78  0.32
assign (resid   26  and name HB+   ) (resid   27  and name HN    )   2.82  0.92  1.18
assign (resid   27  and name HN    ) (resid   28  and name HN    )   2.69  0.79  0.31
assign (resid   27  and name HB+   ) (resid   28  and name HN    )   2.60  0.70  1.40
assign (resid   29  and name HA    ) (resid   29  and name HN    )   2.70  0.80  0.30
assign (resid   28  and name HB+   ) (resid   29  and name HN    )   2.60  0.70  1.40
assign (resid   32  and name HN    ) (resid   31  and name HN    )   2.79  0.89  0.21
assign (resid   31  and name HB    ) (resid   32  and name HN    )   2.73  0.83  0.27
assign (resid   32  and name HN    ) (resid   33  and name HN    )   2.93  1.03  0.07
assign (resid   33  and name HB    ) (resid   33  and name HN    )   2.59  0.69  0.41
assign (resid   33  and name HN    ) (resid   34  and name HN    )   2.87  0.97  0.13
assign (resid   33  and name HB    ) (resid   34  and name HN    )   2.82  0.92  0.18
assign (resid   36  and name HN    ) (resid   35  and name HN    )   2.83  0.93  0.17
assign (resid   35  and name HA    ) (resid   35  and name HN    )   2.57  0.67  0.43
assign (resid   35  and name HN    ) (resid   36  and name HN    )   2.74  0.84  0.26
assign (resid   37  and name HN    ) (resid   36  and name HN    )   2.98  1.08  0.02
assign (resid   36  and name HA    ) (resid   36  and name HN    )   2.90  1.00  0.10
assign (resid   36  and name HB    ) (resid   36  and name HN    )   2.85  0.95  0.15
assign (resid   33  and name HA    ) (resid   36  and name HN    )   2.90  1.00  0.10
assign (resid   35  and name HB+   ) (resid   36  and name HN    )   2.70  0.80  1.30
assign (resid   33  and name HA    ) (resid   37  and name HN    )   2.63  0.73  0.37
assign (resid   37  and name HN    ) (resid   38  and name HN    )   2.91  1.01  0.09
assign (resid   37  and name HB    ) (resid   38  and name HN    )   2.68  0.78  0.32
assign (resid   40  and name HN    ) (resid   39  and name HN    )   2.83  0.93  0.17
assign (resid   36  and name HB    ) (resid   39  and name HN    )   2.54  0.64  0.46
assign (resid   38  and name HN    ) (resid   40  and name HN    )   2.52  0.62  0.48
assign (resid   40  and name HA    ) (resid   40  and name HN    )   2.67  0.77  0.33
assign (resid   40  and name HN    ) (resid   41  and name HN    )   2.91  1.01  0.09
assign (resid   42  and name HN    ) (resid   43  and name HN    )   2.83  0.93  0.17
assign (resid   44  and name HN    ) (resid   43  and name HN    )   2.93  1.03  0.07
assign (resid   39  and name HA    ) (resid   43  and name HN    )   2.75  0.85  0.25
assign (resid   42  and name HB+   ) (resid   43  and name HN    )   2.78  0.88  1.22
assign (resid   43  and name HN    ) (resid   44  and name HN    )   2.87  0.97  0.13
assign (resid   45  and name HN    ) (resid   44  and name HN    )   2.80  0.90  0.20
assign (resid   45  and name HA    ) (resid   45  and name HN    )   2.68  0.78  0.32
assign (resid   45  and name HB+   ) (resid   45  and name HN    )   2.66  0.76  1.34
assign (resid   45  and name HN    ) (resid   46  and name HN    )   2.69  0.79  0.31
assign (resid   49  and name HN    ) (resid   48  and name HN    )   2.92  1.02  0.08
assign (resid   48  and name HA    ) (resid   48  and name HN    )   2.51  0.61  0.49
assign (resid   48  and name HG+   ) (resid   48  and name HN    )   2.54  0.64  1.46
assign (resid   48  and name HB+   ) (resid   49  and name HN    )   2.72  0.82  1.28
assign (resid   23  and name HA+   ) (resid   15  and name HN    )   2.71  0.81  3.29
assign (resid   23  and name HA+   ) (resid   23  and name HN    )   2.65  0.75  1.35
assign (resid   26  and name HA    ) (resid   26  and name HN    )   2.67  0.77  0.33
assign (resid   23  and name HA+   ) (resid   16  and name HN    )   2.94  1.04  3.06
assign (resid   41  and name HN    ) (resid   42  and name HN    )   2.77  0.87  0.23
assign (resid   16  and name HN    ) (resid   27  and name HN    )   2.49  0.59  2.51
assign (resid   32  and name HG2+  ) (resid   32  and name HN    )   2.52  0.62  1.48
assign (resid   22  and name HG2+  ) (resid   22  and name HN    )   2.70  0.80  1.30
assign (resid   32  and name HG2+  ) (resid   32  and name HN    )   2.52  0.62  3.48
assign (resid   32  and name HG2+  ) (resid   35  and name HN    )   2.96  1.06  3.04
assign (resid   19  and name HG2+  ) (resid   19  and name HN    )   2.75  0.85  1.25
assign (resid   21  and name HA    ) (resid   21  and name HD+   )   2.99  1.09  2.21
assign (resid   26  and name HZ2   ) (resid   24  and name HE+   )   2.76  0.86  2.44
assign (resid   26  and name HE1   ) (resid   26  and name HD1   )   2.85  0.95  0.15
assign (resid   24  and name HE+   ) (resid   26  and name HE3   )   2.76  0.86  2.24
{ Beginning class STRG}
class STRG
 
assign (resid    3  and name HA+   ) (resid    3  and name HN    )   2.46  0.56  1.04
assign (resid    4  and name HB+   ) (resid    4  and name HN    )   2.48  0.58  1.02
assign (resid    4  and name HA    ) (resid    5  and name HN    )   2.45  0.55  0.05
assign (resid    7  and name HB+   ) (resid    7  and name HN    )   2.18  0.28  1.32
assign (resid    8  and name HB+   ) (resid    8  and name HN    )   2.34  0.44  1.16
assign (resid   12  and name HB+   ) (resid   12  and name HN    )   2.50  0.60  1.00
assign (resid   13  and name HB+   ) (resid   13  and name HN    )   2.48  0.58  1.02
assign (resid   14  and name HG    ) (resid   14  and name HN    )   2.46  0.56  0.04
assign (resid   16  and name HB+   ) (resid   16  and name HN    )   2.35  0.45  1.15
assign (resid   17  and name HB+   ) (resid   17  and name HN    )   2.48  0.58  1.02
assign (resid   26  and name HB+   ) (resid   26  and name HN    )   2.39  0.49  1.11
assign (resid   28  and name HN    ) (resid   27  and name HN    )   2.47  0.57  0.03
assign (resid   27  and name HB+   ) (resid   27  and name HN    )   2.33  0.43  1.17
assign (resid   28  and name HA    ) (resid   28  and name HN    )   2.49  0.59  0.01
assign (resid   28  and name HB+   ) (resid   28  and name HN    )   2.21  0.31  1.29
assign (resid   29  and name HB    ) (resid   29  and name HN    )   2.47  0.57  0.03
assign (resid   31  and name HB    ) (resid   31  and name HN    )   2.34  0.44  0.16
assign (resid   34  and name HA+   ) (resid   35  and name HN    )   2.33  0.43  1.17
assign (resid   35  and name HB+   ) (resid   35  and name HN    )   2.23  0.33  1.27
assign (resid   38  and name HA+   ) (resid   38  and name HN    )   2.24  0.34  1.26
assign (resid   42  and name HB+   ) (resid   42  and name HN    )   2.42  0.52  1.08
assign (resid   44  and name HB+   ) (resid   44  and name HN    )   2.12  0.22  1.38
assign (resid   44  and name HN    ) (resid   45  and name HN    )   2.44  0.54  0.06
assign (resid   44  and name HB+   ) (resid   45  and name HN    )   2.49  0.59  1.01
assign (resid   47  and name HN    ) (resid   46  and name HN    )   2.47  0.57  0.03
assign (resid   46  and name HN    ) (resid   47  and name HN    )   2.41  0.51  0.09
assign (resid   47  and name HB+   ) (resid   47  and name HN    )   2.22  0.32  1.28
assign (resid   48  and name HB+   ) (resid   48  and name HN    )   2.26  0.36  1.24
assign (resid   48  and name HN    ) (resid   49  and name HN    )   2.40  0.50  0.10
assign (resid   49  and name HB+   ) (resid   49  and name HN    )   2.22  0.32  1.28
assign (resid   46  and name HA    ) (resid   46  and name HN    )   2.36  0.46  0.14
assign (resid   32  and name HB    ) (resid   32  and name HN    )   2.35  0.45  0.15
assign (resid   22  and name HG1+  ) (resid   25  and name HN    )   2.45  0.55  1.05
assign (resid   39  and name HB    ) (resid   39  and name HN    )   2.27  0.37  0.23
assign (resid   26  and name HD1   ) (resid   26  and name HE1   )   2.16  0.26  0.34
{ Beginning class HB1 }
class HB1 
 
assign (resid   27  and name O     ) (resid   31  and name HN    )   1.90  0.40  0.40
assign (resid   28  and name O     ) (resid   32  and name HN    )   1.90  0.40  0.40
assign (resid   29  and name O     ) (resid   33  and name HN    )   1.90  0.40  0.40
assign (resid   30  and name O     ) (resid   34  and name HN    )   1.90  0.40  0.40
assign (resid   31  and name O     ) (resid   35  and name HN    )   1.90  0.40  0.40
assign (resid   32  and name O     ) (resid   36  and name HN    )   1.90  0.40  0.40
assign (resid   33  and name O     ) (resid   37  and name HN    )   1.90  0.40  0.40
assign (resid   34  and name O     ) (resid   38  and name HN    )   1.90  0.40  0.40
assign (resid   35  and name O     ) (resid   39  and name HN    )   1.90  0.40  0.40
assign (resid   36  and name O     ) (resid   40  and name HN    )   1.90  0.40  0.40
assign (resid   37  and name O     ) (resid   41  and name HN    )   1.90  0.40  0.40
assign (resid   38  and name O     ) (resid   42  and name HN    )   1.90  0.40  0.40
assign (resid   39  and name O     ) (resid   43  and name HN    )   1.90  0.40  0.40
assign (resid   40  and name O     ) (resid   44  and name HN    )   1.90  0.40  0.40
{ Beginning class HB2 }
class HB2 
 
assign (resid   31  and name N     ) (resid   27  and name O     )   2.85  0.55  0.55
assign (resid   32  and name N     ) (resid   28  and name O     )   2.85  0.55  0.55
assign (resid   33  and name N     ) (resid   29  and name O     )   2.85  0.55  0.55
assign (resid   34  and name N     ) (resid   30  and name O     )   2.85  0.55  0.55
assign (resid   35  and name N     ) (resid   31  and name O     )   2.85  0.55  0.55
assign (resid   36  and name N     ) (resid   32  and name O     )   2.85  0.55  0.55
assign (resid   37  and name N     ) (resid   33  and name O     )   2.85  0.55  0.55
assign (resid   38  and name N     ) (resid   34  and name O     )   2.85  0.55  0.55
assign (resid   39  and name N     ) (resid   35  and name O     )   2.85  0.55  0.55
assign (resid   40  and name N     ) (resid   36  and name O     )   2.85  0.55  0.55
assign (resid   41  and name N     ) (resid   37  and name O     )   2.85  0.55  0.55
assign (resid   42  and name N     ) (resid   38  and name O     )   2.85  0.55  0.55
assign (resid   43  and name N     ) (resid   39  and name O     )   2.85  0.55  0.55
assign (resid   44  and name N     ) (resid   40  and name O     )   2.85  0.55  0.55
{ Beginning class HB3 }
class HB3 
 
assign (resid    7  and name O     ) (resid   11  and name HN    )   1.90  0.40  0.40
assign (resid    8  and name O     ) (resid   12  and name HN    )   1.90  0.40  0.40
assign (resid    9  and name O     ) (resid   13  and name HN    )   1.90  0.40  0.40
assign (resid   10  and name O     ) (resid   14  and name HN    )   1.90  0.40  0.40
assign (resid   11  and name O     ) (resid   15  and name HN    )   1.90  0.40  0.40
assign (resid   12  and name O     ) (resid   16  and name HN    )   1.90  0.40  0.40
assign (resid   13  and name O     ) (resid   17  and name HN    )   1.90  0.40  0.40
{ Beginning class HB4 }
class HB4 
 
assign (resid   11  and name N     ) (resid    7  and name O     )   2.85  0.55  0.55
assign (resid   12  and name N     ) (resid    8  and name O     )   2.85  0.55  0.55
assign (resid   13  and name N     ) (resid    9  and name O     )   2.85  0.55  0.55
assign (resid   14  and name N     ) (resid   10  and name O     )   2.85  0.55  0.55
assign (resid   15  and name N     ) (resid   11  and name O     )   2.85  0.55  0.55
assign (resid   16  and name N     ) (resid   12  and name O     )   2.85  0.55  0.55
assign (resid   17  and name N     ) (resid   13  and name O     )   2.85  0.55  0.55
end


REStraints DIHEdral
 
    reset
 
    scale 1
assign 
      (segid   SEG1 and resid    7   and name C     )
      (segid   SEG1 and resid    8   and name N     )
      (segid   SEG1 and resid    8   and name CA    )
      (segid   SEG1 and resid    8   and name C     )   1   -60.00    20.00 2
assign 
      (segid   SEG1 and resid    8   and name C     )
      (segid   SEG1 and resid    9   and name N     )
      (segid   SEG1 and resid    9   and name CA    )
      (segid   SEG1 and resid    9   and name C     )   1   -60.00    20.00 2
assign 
      (segid   SEG1 and resid    9   and name C     )
      (segid   SEG1 and resid   10   and name N     )
      (segid   SEG1 and resid   10   and name CA    )
      (segid   SEG1 and resid   10   and name C     )   1   -60.00    20.00 2
assign 
      (segid   SEG1 and resid   10   and name C     )
      (segid   SEG1 and resid   11   and name N     )
      (segid   SEG1 and resid   11   and name CA    )
      (segid   SEG1 and resid   11   and name C     )   1   -60.00    20.00 2
assign 
      (segid   SEG1 and resid   11   and name C     )
      (segid   SEG1 and resid   12   and name N     )
      (segid   SEG1 and resid   12   and name CA    )
      (segid   SEG1 and resid   12   and name C     )   1   -60.00    20.00 2
assign 
      (segid   SEG1 and resid   12   and name C     )
      (segid   SEG1 and resid   13   and name N     )
      (segid   SEG1 and resid   13   and name CA    )
      (segid   SEG1 and resid   13   and name C     )   1   -60.00    20.00 2
assign 
      (segid   SEG1 and resid   13   and name C     )
      (segid   SEG1 and resid   14   and name N     )
      (segid   SEG1 and resid   14   and name CA    )
      (segid   SEG1 and resid   14   and name C     )   1   -60.00    20.00 2
assign 
      (segid   SEG1 and resid   14   and name C     )
      (segid   SEG1 and resid   15   and name N     )
      (segid   SEG1 and resid   15   and name CA    )
      (segid   SEG1 and resid   15   and name C     )   1   -60.00    20.00 2
assign 
      (segid   SEG1 and resid   15   and name C     )
      (segid   SEG1 and resid   16   and name N     )
      (segid   SEG1 and resid   16   and name CA    )
      (segid   SEG1 and resid   16   and name C     )   1   -60.00    20.00 2
assign 
      (segid   SEG1 and resid   16   and name C     )
      (segid   SEG1 and resid   17   and name N     )
      (segid   SEG1 and resid   17   and name CA    )
      (segid   SEG1 and resid   17   and name C     )   1   -60.00    20.00 2
assign 
      (segid   SEG1 and resid   27   and name C     )
      (segid   SEG1 and resid   28   and name N     )
      (segid   SEG1 and resid   28   and name CA    )
      (segid   SEG1 and resid   28   and name C     )   1   -60.00    20.00 2
assign 
      (segid   SEG1 and resid   28   and name C     )
      (segid   SEG1 and resid   29   and name N     )
      (segid   SEG1 and resid   29   and name CA    )
      (segid   SEG1 and resid   29   and name C     )   1   -60.00    20.00 2
assign 
      (segid   SEG1 and resid   29   and name C     )
      (segid   SEG1 and resid   30   and name N     )
      (segid   SEG1 and resid   30   and name CA    )
      (segid   SEG1 and resid   30   and name C     )   1   -60.00    20.00 2
assign 
      (segid   SEG1 and resid   30   and name C     )
      (segid   SEG1 and resid   31   and name N     )
      (segid   SEG1 and resid   31   and name CA    )
      (segid   SEG1 and resid   31   and name C     )   1   -60.00    20.00 2
assign 
      (segid   SEG1 and resid   31   and name C     )
      (segid   SEG1 and resid   32   and name N     )
      (segid   SEG1 and resid   32   and name CA    )
      (segid   SEG1 and resid   32   and name C     )   1   -60.00    20.00 2
assign 
      (segid   SEG1 and resid   32   and name C     )
      (segid   SEG1 and resid   33   and name N     )
      (segid   SEG1 and resid   33   and name CA    )
      (segid   SEG1 and resid   33   and name C     )   1   -60.00    20.00 2
assign 
      (segid   SEG1 and resid   33   and name C     )
      (segid   SEG1 and resid   34   and name N     )
      (segid   SEG1 and resid   34   and name CA    )
      (segid   SEG1 and resid   34   and name C     )   1   -60.00    20.00 2
assign 
      (segid   SEG1 and resid   34   and name C     )
      (segid   SEG1 and resid   35   and name N     )
      (segid   SEG1 and resid   35   and name CA    )
      (segid   SEG1 and resid   35   and name C     )   1   -60.00    20.00 2
assign 
      (segid   SEG1 and resid   35   and name C     )
      (segid   SEG1 and resid   36   and name N     )
      (segid   SEG1 and resid   36   and name CA    )
      (segid   SEG1 and resid   36   and name C     )   1   -60.00    20.00 2
assign 
      (segid   SEG1 and resid   36   and name C     )
      (segid   SEG1 and resid   37   and name N     )
      (segid   SEG1 and resid   37   and name CA    )
      (segid   SEG1 and resid   37   and name C     )   1   -60.00    20.00 2
assign 
      (segid   SEG1 and resid   37   and name C     )
      (segid   SEG1 and resid   38   and name N     )
      (segid   SEG1 and resid   38   and name CA    )
      (segid   SEG1 and resid   38   and name C     )   1   -60.00    20.00 2
assign 
      (segid   SEG1 and resid   38   and name C     )
      (segid   SEG1 and resid   39   and name N     )
      (segid   SEG1 and resid   39   and name CA    )
      (segid   SEG1 and resid   39   and name C     )   1   -60.00    20.00 2
assign 
      (segid   SEG1 and resid   39   and name C     )
      (segid   SEG1 and resid   40   and name N     )
      (segid   SEG1 and resid   40   and name CA    )
      (segid   SEG1 and resid   40   and name C     )   1   -60.00    20.00 2
assign 
      (segid   SEG1 and resid   40   and name C     )
      (segid   SEG1 and resid   41   and name N     )
      (segid   SEG1 and resid   41   and name CA    )
      (segid   SEG1 and resid   41   and name C     )   1   -60.00    20.00 2
assign 
      (segid   SEG1 and resid   41   and name C     )
      (segid   SEG1 and resid   42   and name N     )
      (segid   SEG1 and resid   42   and name CA    )
      (segid   SEG1 and resid   42   and name C     )   1   -60.00    20.00 2
assign 
      (segid   SEG1 and resid   42   and name C     )
      (segid   SEG1 and resid   43   and name N     )
      (segid   SEG1 and resid   43   and name CA    )
      (segid   SEG1 and resid   43   and name C     )   1   -60.00    20.00 2
assign 
      (segid   SEG1 and resid   43   and name C     )
      (segid   SEG1 and resid   44   and name N     )
      (segid   SEG1 and resid   44   and name CA    )
      (segid   SEG1 and resid   44   and name C     )   1   -60.00    20.00 2
    end

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    ALA   1           HT1      ALA   1 -17.437  14.521   2.244
    2   2H    ALA   1           HT3      ALA   1 -18.784  15.128   3.074
    3   3H    ALA   1           HT2      ALA   1 -18.829  13.562   2.418
    4    HA   ALA   1           HA       ALA   1 -20.065  14.847   0.929
    5   1HB   ALA   1           HB3      ALA   1 -17.936  16.861   1.538
    6   2HB   ALA   1           HB2      ALA   1 -18.741  16.944  -0.028
    7   3HB   ALA   1           HB1      ALA   1 -19.684  17.072   1.456
    8    H    GLU   2           HN       GLU   2 -19.088  12.686   0.134
    9    HA   GLU   2           HA       GLU   2 -17.449  13.301  -2.269
   10   1HB   GLU   2           HB2      GLU   2 -16.358  12.069  -0.020
   11   2HB   GLU   2           HB1      GLU   2 -16.743  10.723  -1.095
   12   1HG   GLU   2           HG2      GLU   2 -14.653  11.280  -1.911
   13   2HG   GLU   2           HG1      GLU   2 -15.653  12.331  -2.916
   14    H    GLY   3           HN       GLY   3 -18.601  12.562  -3.975
   15   1HA   GLY   3           HA2      GLY   3 -20.891  10.888  -3.761
   16   2HA   GLY   3           HA1      GLY   3 -20.024  11.213  -5.264
   17    H    ASP   4           HN       ASP   4 -17.484  10.143  -4.253
   18    HA   ASP   4           HA       ASP   4 -18.061   7.296  -4.749
   19   1HB   ASP   4           HB2      ASP   4 -16.129   8.653  -5.797
   20   2HB   ASP   4           HB1      ASP   4 -15.339   8.495  -4.228
   21    H    ASP   5           HN       ASP   5 -19.188   7.109  -2.597
   22    HA   ASP   5           HA       ASP   5 -19.198   6.349  -0.376
   23   1HB   ASP   5           HB2      ASP   5 -16.254   5.776  -0.709
   24   2HB   ASP   5           HB1      ASP   5 -17.438   4.904   0.264
   25    HA   PRO   6           HA       PRO   6 -17.659   9.706   1.996
   26   1HB   PRO   6           HB2      PRO   6 -17.988   8.639   4.510
   27   2HB   PRO   6           HB1      PRO   6 -19.332   9.237   3.517
   28   1HG   PRO   6           HG2      PRO   6 -18.547   6.409   4.105
   29   2HG   PRO   6           HG1      PRO   6 -20.140   7.065   3.686
   30   1HD   PRO   6           HD2      PRO   6 -18.393   5.698   1.916
   31   2HD   PRO   6           HD1      PRO   6 -19.824   6.642   1.449
   32    H    ALA   7           HN       ALA   7 -16.235   6.552   2.148
   33    HA   ALA   7           HA       ALA   7 -13.695   7.775   3.109
   34   1HB   ALA   7           HB3      ALA   7 -15.276   5.689   4.438
   35   2HB   ALA   7           HB2      ALA   7 -13.600   5.217   4.156
   36   3HB   ALA   7           HB1      ALA   7 -13.963   6.678   5.075
   37    H    LYS   8           HN       LYS   8 -14.014   7.445   0.483
   38    HA   LYS   8           HA       LYS   8 -13.646   4.971  -0.746
   39   1HB   LYS   8           HB2      LYS   8 -12.633   6.136  -2.578
   40   2HB   LYS   8           HB1      LYS   8 -13.786   7.263  -1.862
   41   1HG   LYS   8           HG2      LYS   8 -11.553   7.812  -0.390
   42   2HG   LYS   8           HG1      LYS   8 -10.835   7.390  -1.945
   43   1HD   LYS   8           HD2      LYS   8 -13.205   9.133  -2.146
   44   2HD   LYS   8           HD1      LYS   8 -11.829   9.871  -1.323
   45   1HE   LYS   8           HE2      LYS   8 -10.396   9.537  -3.198
   46   2HE   LYS   8           HE1      LYS   8 -11.536   8.430  -3.964
   47   1HZ   LYS   8           HZ3      LYS   8 -12.093  11.297  -3.436
   48   2HZ   LYS   8           HZ2      LYS   8 -11.544  10.692  -4.925
   49   3HZ   LYS   8           HZ1      LYS   8 -13.058  10.217  -4.318
   50    H    ALA   9           HN       ALA   9 -11.449   6.702   1.318
   51    HA   ALA   9           HA       ALA   9  -8.980   5.542   0.550
   52   1HB   ALA   9           HB3      ALA   9 -10.077   6.834   2.972
   53   2HB   ALA   9           HB2      ALA   9  -8.735   5.730   3.268
   54   3HB   ALA   9           HB1      ALA   9  -8.532   7.089   2.164
   55    H    ALA  10           HN       ALA  10 -11.071   4.465   3.272
   56    HA   ALA  10           HA       ALA  10  -9.738   2.002   3.685
   57   1HB   ALA  10           HB1      ALA  10 -12.141   3.252   4.614
   58   2HB   ALA  10           HB3      ALA  10 -12.514   1.589   4.165
   59   3HB   ALA  10           HB2      ALA  10 -11.247   1.920   5.346
   60    H    PHE  11           HN       PHE  11 -12.382   2.845   1.465
   61    HA   PHE  11           HA       PHE  11 -13.141   0.329   0.559
   62   1HB   PHE  11           HB2      PHE  11 -13.210   3.006  -0.485
   63   2HB   PHE  11           HB1      PHE  11 -12.749   1.899  -1.778
   64    HD1  PHE  11           HD2      PHE  11 -14.933   1.315   1.203
   65    HD2  PHE  11           HD1      PHE  11 -14.691   1.600  -3.075
   66    HE1  PHE  11           HE2      PHE  11 -17.287   0.546   1.019
   67    HE2  PHE  11           HE1      PHE  11 -17.042   0.834  -3.261
   68    HZ   PHE  11           HZ       PHE  11 -18.341   0.306  -1.214
   69    H    ASP  12           HN       ASP  12 -10.256   2.188  -0.443
   70    HA   ASP  12           HA       ASP  12  -9.284   0.113  -2.215
   71   1HB   ASP  12           HB2      ASP  12  -7.968   2.515  -0.925
   72   2HB   ASP  12           HB1      ASP  12  -7.094   1.415  -1.992
   73    H    SER  13           HN       SER  13  -8.842   0.864   1.205
   74    HA   SER  13           HA       SER  13  -6.713  -1.115   1.548
   75   1HB   SER  13           HB2      SER  13  -7.835   1.008   3.091
   76   2HB   SER  13           HB1      SER  13  -7.967  -0.472   4.038
   77    HG   SER  13           HG       SER  13  -5.789   1.003   3.455
   78    H    LEU  14           HN       LEU  14  -9.822  -0.940   3.330
   79    HA   LEU  14           HA       LEU  14 -10.029  -3.573   4.106
   80   1HB   LEU  14           HB2      LEU  14 -12.445  -3.316   4.158
   81   2HB   LEU  14           HB1      LEU  14 -11.708  -1.781   4.616
   82    HG   LEU  14           HG       LEU  14 -11.876  -1.388   1.960
   83   1HD1  LEU  14          HD13      LEU  14 -14.147  -3.263   2.679
   84   2HD1  LEU  14          HD12      LEU  14 -14.109  -2.268   1.222
   85   3HD1  LEU  14          HD11      LEU  14 -12.904  -3.533   1.458
   86   1HD2  LEU  14          HD21      LEU  14 -13.200  -0.492   4.270
   87   2HD2  LEU  14          HD23      LEU  14 -13.230   0.270   2.679
   88   3HD2  LEU  14          HD22      LEU  14 -14.487  -0.882   3.129
   89    H    GLN  15           HN       GLN  15 -10.735  -2.329   0.829
   90    HA   GLN  15           HA       GLN  15 -11.636  -4.953  -0.092
   91   1HB   GLN  15           HB2      GLN  15 -10.782  -2.511  -1.681
   92   2HB   GLN  15           HB1      GLN  15 -11.583  -3.934  -2.343
   93   1HG   GLN  15           HG2      GLN  15 -12.738  -2.106  -0.215
   94   2HG   GLN  15           HG1      GLN  15 -13.211  -2.124  -1.915
   95   1HE2  GLN  15          HE22      GLN  15 -14.170  -5.812  -0.982
   96   2HE2  GLN  15          HE21      GLN  15 -12.689  -5.279  -1.609
   97    H    ALA  16           HN       ALA  16  -8.676  -3.016  -0.282
   98    HA   ALA  16           HA       ALA  16  -7.130  -4.644  -1.920
   99   1HB   ALA  16           HB2      ALA  16  -6.403  -3.028   0.493
  100   2HB   ALA  16           HB1      ALA  16  -5.185  -3.884  -0.453
  101   3HB   ALA  16           HB3      ALA  16  -6.148  -2.610  -1.201
  102    H    SER  17           HN       SER  17  -6.487  -4.715   1.418
  103    HA   SER  17           HA       SER  17  -5.925  -7.589   1.322
  104   1HB   SER  17           HB2      SER  17  -5.368  -5.369   3.139
  105   2HB   SER  17           HB1      SER  17  -5.867  -6.823   3.999
  106    HG   SER  17           HG       SER  17  -3.648  -6.360   2.351
  107    H    ALA  18           HN       ALA  18  -8.062  -8.468   0.879
  108    HA   ALA  18           HA       ALA  18  -9.892  -8.250   3.245
  109   1HB   ALA  18           HB3      ALA  18 -10.584  -8.353   0.299
  110   2HB   ALA  18           HB2      ALA  18 -11.770  -8.601   1.581
  111   3HB   ALA  18           HB1      ALA  18 -10.937  -7.053   1.439
  112    H    THR  19           HN       THR  19 -10.529 -10.267   0.464
  113    HA   THR  19           HA       THR  19  -9.306 -12.683   1.392
  114    HB   THR  19           HB       THR  19 -10.760 -12.732   3.259
  115    HG1  THR  19           HG1      THR  19 -12.242 -14.098   1.276
  116   1HG2  THR  19          HG22      THR  19 -12.246 -10.883   2.027
  117   2HG2  THR  19          HG21      THR  19 -13.251 -12.288   1.673
  118   3HG2  THR  19          HG23      THR  19 -12.893 -11.857   3.345
  119    H    GLU  20           HN       GLU  20 -12.480 -11.714   0.007
  120    HA   GLU  20           HA       GLU  20 -12.695 -13.741  -1.925
  121   1HB   GLU  20           HB2      GLU  20 -13.883 -11.819  -3.276
  122   2HB   GLU  20           HB1      GLU  20 -14.611 -12.456  -1.809
  123   1HG   GLU  20           HG2      GLU  20 -12.665 -10.295  -1.334
  124   2HG   GLU  20           HG1      GLU  20 -14.090  -9.797  -2.248
  125    H    TYR  21           HN       TYR  21 -12.373 -10.839  -3.590
  126    HA   TYR  21           HA       TYR  21 -10.225 -11.899  -5.144
  127   1HB   TYR  21           HB2      TYR  21 -10.493  -9.652  -6.247
  128   2HB   TYR  21           HB1      TYR  21 -11.882 -10.679  -6.355
  129    HD1  TYR  21           HD2      TYR  21 -10.409  -7.695  -4.779
  130    HD2  TYR  21           HD1      TYR  21 -13.919 -10.136  -5.155
  131    HE1  TYR  21           HE2      TYR  21 -11.755  -5.914  -3.711
  132    HE2  TYR  21           HE1      TYR  21 -15.269  -8.355  -4.090
  133    HH   TYR  21           HH       TYR  21 -15.283  -6.209  -3.425
  134    H    ILE  22           HN       ILE  22 -10.433 -10.546  -2.134
  135    HA   ILE  22           HA       ILE  22  -8.987  -9.200  -0.831
  136    HB   ILE  22           HB       ILE  22  -7.755 -11.298  -0.941
  137   1HG1  ILE  22          HG12      ILE  22  -5.551  -9.423  -1.526
  138   2HG1  ILE  22          HG11      ILE  22  -6.694  -8.868  -0.314
  139   1HG2  ILE  22          HG22      ILE  22  -6.654 -10.168  -3.531
  140   2HG2  ILE  22          HG21      ILE  22  -6.019 -11.597  -2.719
  141   3HG2  ILE  22          HG23      ILE  22  -7.660 -11.605  -3.352
  142   1HD1  ILE  22          HD11      ILE  22  -5.273 -11.547  -0.280
  143   2HD1  ILE  22          HD13      ILE  22  -4.848 -10.155   0.717
  144   3HD1  ILE  22          HD12      ILE  22  -6.400 -10.961   0.943
  145    H    GLY  23           HN       GLY  23  -9.989  -7.670  -2.853
  146   1HA   GLY  23           HA2      GLY  23  -9.506  -5.875  -4.322
  147   2HA   GLY  23           HA1      GLY  23  -8.290  -5.491  -3.098
  148    H    TYR  24           HN       TYR  24  -6.178  -6.169  -3.406
  149    HA   TYR  24           HA       TYR  24  -5.285  -8.010  -5.287
  150   1HB   TYR  24           HB2      TYR  24  -6.251  -5.812  -6.644
  151   2HB   TYR  24           HB1      TYR  24  -4.511  -5.507  -6.562
  152    HD1  TYR  24           HD1      TYR  24  -6.541  -8.659  -6.746
  153    HD2  TYR  24           HD2      TYR  24  -3.505  -6.208  -8.530
  154    HE1  TYR  24           HE1      TYR  24  -6.100 -10.424  -8.425
  155    HE2  TYR  24           HE2      TYR  24  -3.065  -7.964 -10.212
  156    HH   TYR  24           HH       TYR  24  -3.389 -10.229 -10.638
  157    H    ALA  25           HN       ALA  25  -4.735  -7.138  -2.692
  158    HA   ALA  25           HA       ALA  25  -1.975  -6.046  -2.963
  159   1HB   ALA  25           HB2      ALA  25  -4.044  -5.302  -1.246
  160   2HB   ALA  25           HB1      ALA  25  -3.018  -6.328  -0.244
  161   3HB   ALA  25           HB3      ALA  25  -2.339  -4.907  -1.037
  162    H    TRP  26           HN       TRP  26  -3.951  -8.757  -2.036
  163    HA   TRP  26           HA       TRP  26  -2.512 -10.292  -0.312
  164   1HB   TRP  26           HB2      TRP  26  -3.594 -12.123  -1.194
  165   2HB   TRP  26           HB1      TRP  26  -4.498 -10.860  -2.010
  166    HD1  TRP  26           HD1      TRP  26  -2.746 -13.939  -2.726
  167    HE1  TRP  26           HE1      TRP  26  -2.138 -14.161  -5.204
  168    HE3  TRP  26           HE3      TRP  26  -3.452  -9.103  -4.276
  169    HZ2  TRP  26           HZ2      TRP  26  -1.967 -12.537  -7.536
  170    HZ3  TRP  26           HZ3      TRP  26  -3.058  -8.486  -6.639
  171    HH2  TRP  26           HH2      TRP  26  -2.312 -10.197  -8.268
  172    H    ALA  27           HN       ALA  27  -1.414  -9.438  -3.519
  173    HA   ALA  27           HA       ALA  27   1.159 -10.758  -2.867
  174   1HB   ALA  27           HB3      ALA  27  -0.313 -11.922  -4.664
  175   2HB   ALA  27           HB2      ALA  27   0.144 -10.565  -5.692
  176   3HB   ALA  27           HB1      ALA  27   1.385 -11.635  -5.041
  177    H    MET  28           HN       MET  28  -0.086  -8.687  -5.469
  178    HA   MET  28           HA       MET  28   2.115  -7.223  -6.020
  179   1HB   MET  28           HB2      MET  28  -0.721  -6.212  -5.810
  180   2HB   MET  28           HB1      MET  28   0.587  -5.349  -6.620
  181   1HG   MET  28           HG2      MET  28   0.339  -8.154  -7.461
  182   2HG   MET  28           HG1      MET  28  -1.081  -7.175  -7.835
  183   1HE   MET  28           HE2      MET  28   2.388  -8.099  -8.297
  184   2HE   MET  28           HE1      MET  28   1.609  -8.512  -9.822
  185   3HE   MET  28           HE3      MET  28   2.922  -7.326  -9.787
  186    H    VAL  29           HN       VAL  29   0.163  -6.987  -3.106
  187    HA   VAL  29           HA       VAL  29   0.975  -4.404  -2.237
  188    HB   VAL  29           HB       VAL  29  -0.750  -6.058  -1.197
  189   1HG1  VAL  29          HG12      VAL  29   0.889  -7.874  -0.758
  190   2HG1  VAL  29          HG11      VAL  29   1.756  -6.811   0.347
  191   3HG1  VAL  29          HG13      VAL  29   0.114  -7.330   0.727
  192   1HG2  VAL  29          HG21      VAL  29   1.117  -4.341   0.467
  193   2HG2  VAL  29          HG23      VAL  29  -0.385  -3.831  -0.303
  194   3HG2  VAL  29          HG22      VAL  29  -0.428  -4.964   1.048
  195    H    VAL  30           HN       VAL  30   2.511  -7.567  -1.561
  196    HA   VAL  30           HA       VAL  30   4.760  -6.309  -0.205
  197    HB   VAL  30           HB       VAL  30   4.337  -9.132  -1.227
  198   1HG1  VAL  30          HG12      VAL  30   6.732  -7.816  -0.388
  199   2HG1  VAL  30          HG11      VAL  30   6.262  -8.948   0.880
  200   3HG1  VAL  30          HG13      VAL  30   6.505  -9.523  -0.770
  201   1HG2  VAL  30          HG23      VAL  30   3.661  -7.650   1.247
  202   2HG2  VAL  30          HG22      VAL  30   2.914  -9.093   0.559
  203   3HG2  VAL  30          HG21      VAL  30   4.399  -9.233   1.500
  204    H    VAL  31           HN       VAL  31   3.977  -7.233  -3.465
  205    HA   VAL  31           HA       VAL  31   6.630  -7.376  -4.514
  206    HB   VAL  31           HB       VAL  31   3.995  -6.606  -5.793
  207   1HG1  VAL  31          HG12      VAL  31   6.683  -6.285  -6.777
  208   2HG1  VAL  31          HG11      VAL  31   5.864  -7.535  -7.712
  209   3HG1  VAL  31          HG13      VAL  31   5.161  -5.923  -7.592
  210   1HG2  VAL  31          HG21      VAL  31   5.238  -9.085  -5.019
  211   2HG2  VAL  31          HG23      VAL  31   3.670  -8.836  -5.788
  212   3HG2  VAL  31          HG22      VAL  31   5.117  -9.027  -6.778
  213    H    ILE  32           HN       ILE  32   4.323  -4.676  -5.037
  214    HA   ILE  32           HA       ILE  32   6.370  -2.837  -5.724
  215    HB   ILE  32           HB       ILE  32   4.161  -2.384  -6.335
  216   1HG1  ILE  32          HG12      ILE  32   4.507  -0.327  -4.223
  217   2HG1  ILE  32          HG11      ILE  32   5.767  -0.498  -5.446
  218   1HG2  ILE  32          HG23      ILE  32   3.377  -3.469  -3.999
  219   2HG2  ILE  32          HG22      ILE  32   3.144  -1.757  -3.657
  220   3HG2  ILE  32          HG21      ILE  32   2.313  -2.507  -5.020
  221   1HD1  ILE  32          HD12      ILE  32   2.913  -0.369  -6.343
  222   2HD1  ILE  32          HD11      ILE  32   3.713   1.125  -5.854
  223   3HD1  ILE  32          HD13      ILE  32   4.372   0.164  -7.178
  224    H    VAL  33           HN       VAL  33   4.544  -3.076  -2.623
  225    HA   VAL  33           HA       VAL  33   5.974  -1.083  -1.289
  226    HB   VAL  33           HB       VAL  33   4.980  -3.756  -0.240
  227   1HG1  VAL  33          HG12      VAL  33   6.649  -1.736   1.019
  228   2HG1  VAL  33          HG11      VAL  33   5.111  -1.913   1.865
  229   3HG1  VAL  33          HG13      VAL  33   6.155  -3.315   1.631
  230   1HG2  VAL  33          HG23      VAL  33   3.879  -0.934  -0.275
  231   2HG2  VAL  33          HG22      VAL  33   3.159  -2.383  -0.978
  232   3HG2  VAL  33          HG21      VAL  33   3.229  -2.193   0.774
  233    H    GLY  34           HN       GLY  34   7.047  -4.178  -2.412
  234   1HA   GLY  34           HA2      GLY  34   9.414  -4.347  -0.744
  235   2HA   GLY  34           HA1      GLY  34   9.191  -5.161  -2.302
  236    H    ALA  35           HN       ALA  35   8.769  -3.156  -4.030
  237    HA   ALA  35           HA       ALA  35  11.387  -2.028  -4.416
  238   1HB   ALA  35           HB1      ALA  35   9.319  -2.567  -6.076
  239   2HB   ALA  35           HB3      ALA  35   9.082  -0.833  -5.857
  240   3HB   ALA  35           HB2      ALA  35  10.612  -1.440  -6.488
  241    H    THR  36           HN       THR  36   8.199  -0.446  -3.590
  242    HA   THR  36           HA       THR  36   9.245   2.177  -3.351
  243    HB   THR  36           HB       THR  36   7.130   1.196  -1.460
  244    HG1  THR  36           HG1      THR  36   5.749   1.584  -3.436
  245   1HG2  THR  36          HG21      THR  36   7.917   3.694  -2.843
  246   2HG2  THR  36          HG23      THR  36   6.183   3.407  -2.703
  247   3HG2  THR  36          HG22      THR  36   7.187   3.468  -1.254
  248    H    ILE  37           HN       ILE  37   8.486   0.022  -0.606
  249    HA   ILE  37           HA       ILE  37  10.011   1.513   1.302
  250    HB   ILE  37           HB       ILE  37   9.197  -1.394   1.266
  251   1HG1  ILE  37          HG12      ILE  37   7.354   0.309   1.151
  252   2HG1  ILE  37          HG11      ILE  37   7.322  -0.643   2.635
  253   1HG2  ILE  37          HG22      ILE  37  10.606   0.314   3.268
  254   2HG2  ILE  37          HG21      ILE  37   9.380  -0.797   3.875
  255   3HG2  ILE  37          HG23      ILE  37  10.757  -1.416   2.965
  256   1HD1  ILE  37          HD11      ILE  37   9.026   1.654   3.001
  257   2HD1  ILE  37          HD13      ILE  37   7.448   2.175   2.411
  258   3HD1  ILE  37          HD12      ILE  37   7.566   1.213   3.884
  259    H    GLY  38           HN       GLY  38  10.990  -0.611  -1.169
  260   1HA   GLY  38           HA2      GLY  38  13.432  -1.578   0.078
  261   2HA   GLY  38           HA1      GLY  38  13.031  -1.705  -1.637
  262    H    ILE  39           HN       ILE  39  13.212   0.342  -2.907
  263    HA   ILE  39           HA       ILE  39  15.748   1.579  -2.522
  264    HB   ILE  39           HB       ILE  39  14.412   1.454  -4.695
  265   1HG1  ILE  39          HG12      ILE  39  15.051   4.318  -4.415
  266   2HG1  ILE  39          HG11      ILE  39  16.323   3.242  -3.833
  267   1HG2  ILE  39          HG21      ILE  39  12.405   2.568  -3.281
  268   2HG2  ILE  39          HG23      ILE  39  13.126   4.034  -3.947
  269   3HG2  ILE  39          HG22      ILE  39  12.552   2.764  -5.027
  270   1HD1  ILE  39          HD12      ILE  39  15.011   2.710  -6.486
  271   2HD1  ILE  39          HD11      ILE  39  16.292   3.916  -6.363
  272   3HD1  ILE  39          HD13      ILE  39  16.616   2.239  -5.927
  273    H    LYS  40           HN       LYS  40  12.711   2.066  -1.001
  274    HA   LYS  40           HA       LYS  40  13.055   4.898  -0.391
  275   1HB   LYS  40           HB2      LYS  40  10.825   3.983  -0.291
  276   2HB   LYS  40           HB1      LYS  40  11.336   2.720   0.827
  277   1HG   LYS  40           HG2      LYS  40  10.337   4.281   2.263
  278   2HG   LYS  40           HG1      LYS  40  12.039   4.720   2.366
  279   1HD   LYS  40           HD2      LYS  40  11.136   6.143   0.157
  280   2HD   LYS  40           HD1      LYS  40   9.795   6.251   1.298
  281   1HE   LYS  40           HE2      LYS  40  11.325   7.050   3.047
  282   2HE   LYS  40           HE1      LYS  40  12.685   6.911   1.934
  283   1HZ   LYS  40           HZ2      LYS  40  10.862   8.389   0.558
  284   2HZ   LYS  40           HZ1      LYS  40  10.714   8.973   2.146
  285   3HZ   LYS  40           HZ3      LYS  40  12.223   8.997   1.375
  286    H    LEU  41           HN       LEU  41  12.877   2.280   2.008
  287    HA   LEU  41           HA       LEU  41  14.338   3.580   4.016
  288   1HB   LEU  41           HB2      LEU  41  13.428   0.884   3.485
  289   2HB   LEU  41           HB1      LEU  41  15.020   0.859   4.243
  290    HG   LEU  41           HG       LEU  41  12.977   2.728   5.362
  291   1HD1  LEU  41          HD13      LEU  41  12.993  -0.275   5.790
  292   2HD1  LEU  41          HD12      LEU  41  12.123   0.870   6.811
  293   3HD1  LEU  41          HD11      LEU  41  11.677   0.685   5.114
  294   1HD2  LEU  41          HD22      LEU  41  15.445   1.294   6.192
  295   2HD2  LEU  41          HD21      LEU  41  14.876   2.903   6.636
  296   3HD2  LEU  41          HD23      LEU  41  14.208   1.480   7.437
  297    H    PHE  42           HN       PHE  42  15.534   1.846   1.200
  298    HA   PHE  42           HA       PHE  42  18.276   1.696   2.132
  299   1HB   PHE  42           HB2      PHE  42  16.853   1.225  -0.460
  300   2HB   PHE  42           HB1      PHE  42  18.601   1.448  -0.498
  301    HD1  PHE  42           HD1      PHE  42  17.240   0.095   2.582
  302    HD2  PHE  42           HD2      PHE  42  18.715  -0.953  -1.316
  303    HE1  PHE  42           HE1      PHE  42  17.559  -2.248   3.333
  304    HE2  PHE  42           HE2      PHE  42  19.032  -3.296  -0.565
  305    HZ   PHE  42           HZ       PHE  42  18.453  -3.943   1.759
  306    H    LYS  43           HN       LYS  43  16.990   3.562  -0.643
  307    HA   LYS  43           HA       LYS  43  19.206   5.458  -0.433
  308   1HB   LYS  43           HB2      LYS  43  16.862   5.097  -2.272
  309   2HB   LYS  43           HB1      LYS  43  17.737   6.629  -2.274
  310   1HG   LYS  43           HG2      LYS  43  19.394   4.159  -2.349
  311   2HG   LYS  43           HG1      LYS  43  18.478   4.538  -3.808
  312   1HD   LYS  43           HD2      LYS  43  19.990   6.107  -4.354
  313   2HD   LYS  43           HD1      LYS  43  19.641   6.963  -2.852
  314   1HE   LYS  43           HE2      LYS  43  21.684   6.410  -2.092
  315   2HE   LYS  43           HE1      LYS  43  21.220   4.709  -2.156
  316   1HZ   LYS  43           HZ3      LYS  43  21.799   4.822  -4.589
  317   2HZ   LYS  43           HZ2      LYS  43  22.523   6.325  -4.269
  318   3HZ   LYS  43           HZ1      LYS  43  23.106   4.919  -3.515
  319    H    LYS  44           HN       LYS  44  16.793   5.211   1.622
  320    HA   LYS  44           HA       LYS  44  15.558   7.835   1.521
  321   1HB   LYS  44           HB2      LYS  44  14.309   6.193   2.694
  322   2HB   LYS  44           HB1      LYS  44  15.715   5.662   3.617
  323   1HG   LYS  44           HG2      LYS  44  15.685   7.591   4.990
  324   2HG   LYS  44           HG1      LYS  44  14.645   8.474   3.871
  325   1HD   LYS  44           HD2      LYS  44  12.807   6.866   4.351
  326   2HD   LYS  44           HD1      LYS  44  13.846   6.065   5.531
  327   1HE   LYS  44           HE2      LYS  44  12.925   7.519   7.016
  328   2HE   LYS  44           HE1      LYS  44  14.046   8.686   6.315
  329   1HZ   LYS  44           HZ2      LYS  44  11.588   8.316   4.837
  330   2HZ   LYS  44           HZ1      LYS  44  11.389   8.998   6.380
  331   3HZ   LYS  44           HZ3      LYS  44  12.406   9.748   5.250
  332    H    PHE  45           HN       PHE  45  18.342   6.427   3.184
  333    HA   PHE  45           HA       PHE  45  19.683   8.947   3.422
  334   1HB   PHE  45           HB2      PHE  45  17.819   8.245   5.562
  335   2HB   PHE  45           HB1      PHE  45  19.465   8.461   6.158
  336    HD1  PHE  45           HD2      PHE  45  20.744  10.580   5.284
  337    HD2  PHE  45           HD1      PHE  45  16.474  10.124   5.187
  338    HE1  PHE  45           HE2      PHE  45  20.485  13.042   5.106
  339    HE2  PHE  45           HE1      PHE  45  16.215  12.584   5.010
  340    HZ   PHE  45           HZ       PHE  45  18.220  14.042   4.970
  341    H    THR  46           HN       THR  46  20.142   6.143   2.677
  342    HA   THR  46           HA       THR  46  22.032   4.734   2.776
  343    HB   THR  46           HB       THR  46  23.113   5.935   5.262
  344    HG1  THR  46           HG1      THR  46  23.870   7.625   3.514
  345   1HG2  THR  46          HG23      THR  46  24.219   4.259   3.663
  346   2HG2  THR  46          HG22      THR  46  24.393   5.613   2.547
  347   3HG2  THR  46          HG21      THR  46  25.180   5.663   4.124
  348    H    SER  47           HN       SER  47  19.473   4.781   4.614
  349    HA   SER  47           HA       SER  47  19.528   2.228   5.639
  350   1HB   SER  47           HB2      SER  47  21.220   4.028   7.233
  351   2HB   SER  47           HB1      SER  47  20.027   3.151   8.186
  352    HG   SER  47           HG       SER  47  21.849   1.875   7.988
  353    H    LYS  48           HN       LYS  48  19.050   4.752   8.031
  354    HA   LYS  48           HA       LYS  48  16.100   4.561   7.556
  355   1HB   LYS  48           HB2      LYS  48  16.101   5.137  10.140
  356   2HB   LYS  48           HB1      LYS  48  16.318   3.471   9.603
  357   1HG   LYS  48           HG2      LYS  48  18.727   3.650   9.818
  358   2HG   LYS  48           HG1      LYS  48  18.607   5.374  10.174
  359   1HD   LYS  48           HD2      LYS  48  17.512   4.954  12.268
  360   2HD   LYS  48           HD1      LYS  48  17.292   3.247  11.879
  361   1HE   LYS  48           HE2      LYS  48  19.165   3.223  13.298
  362   2HE   LYS  48           HE1      LYS  48  19.888   3.193  11.690
  363   1HZ   LYS  48           HZ3      LYS  48  19.365   5.851  12.613
  364   2HZ   LYS  48           HZ2      LYS  48  20.417   5.009  13.649
  365   3HZ   LYS  48           HZ1      LYS  48  20.799   5.183  12.003
  366    H    ALA  49           HN       ALA  49  18.782   6.579   8.713
  367    HA   ALA  49           HA       ALA  49  17.631   8.952   7.522
  368   1HB   ALA  49           HB2      ALA  49  16.345   8.506   9.769
  369   2HB   ALA  49           HB1      ALA  49  17.819   9.120  10.518
  370   3HB   ALA  49           HB3      ALA  49  16.906  10.138   9.404
  371    H    SER  50           HN       SER  50  20.175   7.368   7.762
  372    HA   SER  50           HA       SER  50  22.017   9.142   9.200
  373   1HB   SER  50           HB2      SER  50  22.734   6.954   7.242
  374   2HB   SER  50           HB1      SER  50  23.740   7.620   8.526
  375    HG   SER  50           HG       SER  50  21.537   5.883   8.661
   
  No H/Q in entry =         375
  Start of MODEL    2
    1   1H    ALA   1           HT2      ALA   1   1.816   5.208 -11.449
    2   2H    ALA   1           HT1      ALA   1   1.022   5.193  -9.947
    3   3H    ALA   1           HT3      ALA   1   2.021   6.498 -10.362
    4    HA   ALA   1           HA       ALA   1   3.903   5.442  -9.801
    5   1HB   ALA   1           HB2      ALA   1   2.149   5.112  -7.920
    6   2HB   ALA   1           HB1      ALA   1   2.099   3.433  -8.456
    7   3HB   ALA   1           HB3      ALA   1   3.609   4.124  -7.863
    8    H    GLU   2           HN       GLU   2   4.639   4.598 -11.830
    9    HA   GLU   2           HA       GLU   2   3.767   1.997 -12.791
   10   1HB   GLU   2           HB2      GLU   2   5.437   4.142 -13.726
   11   2HB   GLU   2           HB1      GLU   2   6.335   2.628 -13.842
   12   1HG   GLU   2           HG2      GLU   2   4.960   1.785 -15.452
   13   2HG   GLU   2           HG1      GLU   2   3.514   2.480 -14.719
   14    H    GLY   3           HN       GLY   3   4.491   0.041 -12.093
   15   1HA   GLY   3           HA2      GLY   3   7.107  -0.705 -11.476
   16   2HA   GLY   3           HA1      GLY   3   6.429  -0.134  -9.950
   17    H    ASP   4           HN       ASP   4   5.976  -2.505 -12.547
   18    HA   ASP   4           HA       ASP   4   4.207  -4.059 -10.711
   19   1HB   ASP   4           HB2      ASP   4   3.703  -5.365 -12.861
   20   2HB   ASP   4           HB1      ASP   4   3.095  -3.710 -12.790
   21    H    ASP   5           HN       ASP   5   6.070  -4.856  -9.501
   22    HA   ASP   5           HA       ASP   5   7.785  -6.765 -11.030
   23   1HB   ASP   5           HB2      ASP   5   8.173  -5.227  -8.471
   24   2HB   ASP   5           HB1      ASP   5   9.102  -6.696  -8.771
   25    HA   PRO   6           HA       PRO   6   5.757 -10.077  -8.994
   26   1HB   PRO   6           HB2      PRO   6   7.716 -11.989  -9.270
   27   2HB   PRO   6           HB1      PRO   6   6.675 -11.453 -10.602
   28   1HG   PRO   6           HG2      PRO   6   9.549 -10.808 -10.095
   29   2HG   PRO   6           HG1      PRO   6   8.660 -10.832 -11.628
   30   1HD   PRO   6           HD2      PRO   6   9.337  -8.511 -10.135
   31   2HD   PRO   6           HD1      PRO   6   8.195  -8.585 -11.494
   32    H    ALA   7           HN       ALA   7   9.160 -10.730  -8.183
   33    HA   ALA   7           HA       ALA   7   8.599 -11.395  -5.464
   34   1HB   ALA   7           HB1      ALA   7  10.774 -11.659  -7.091
   35   2HB   ALA   7           HB3      ALA   7  11.303 -10.343  -6.044
   36   3HB   ALA   7           HB2      ALA   7  10.823 -11.889  -5.344
   37    H    LYS   8           HN       LYS   8  10.051  -8.424  -6.847
   38    HA   LYS   8           HA       LYS   8  10.435  -6.942  -4.531
   39   1HB   LYS   8           HB2      LYS   8  10.665  -6.313  -7.104
   40   2HB   LYS   8           HB1      LYS   8   9.094  -5.561  -6.823
   41   1HG   LYS   8           HG2      LYS   8  10.223  -4.518  -4.721
   42   2HG   LYS   8           HG1      LYS   8  11.737  -4.933  -5.523
   43   1HD   LYS   8           HD2      LYS   8  11.487  -2.901  -6.520
   44   2HD   LYS   8           HD1      LYS   8  10.377  -3.771  -7.580
   45   1HE   LYS   8           HE2      LYS   8   8.828  -3.154  -5.344
   46   2HE   LYS   8           HE1      LYS   8   9.801  -1.706  -5.603
   47   1HZ   LYS   8           HZ3      LYS   8   8.203  -3.084  -7.692
   48   2HZ   LYS   8           HZ2      LYS   8   7.728  -1.673  -6.873
   49   3HZ   LYS   8           HZ1      LYS   8   9.089  -1.652  -7.892
   50    H    ALA   9           HN       ALA   9   7.363  -7.484  -6.243
   51    HA   ALA   9           HA       ALA   9   5.656  -5.744  -4.923
   52   1HB   ALA   9           HB3      ALA   9   5.317  -7.994  -6.501
   53   2HB   ALA   9           HB2      ALA   9   4.565  -8.465  -4.978
   54   3HB   ALA   9           HB1      ALA   9   4.014  -7.019  -5.823
   55    H    ALA  10           HN       ALA  10   6.190  -9.096  -3.764
   56    HA   ALA  10           HA       ALA  10   5.062  -8.711  -1.205
   57   1HB   ALA  10           HB1      ALA  10   7.370 -10.524  -1.971
   58   2HB   ALA  10           HB3      ALA  10   6.395 -10.669  -0.509
   59   3HB   ALA  10           HB2      ALA  10   5.659 -10.935  -2.090
   60    H    PHE  11           HN       PHE  11   8.379  -8.123  -2.352
   61    HA   PHE  11           HA       PHE  11   9.746  -7.639  -0.002
   62   1HB   PHE  11           HB2      PHE  11  10.352  -7.150  -2.560
   63   2HB   PHE  11           HB1      PHE  11   9.953  -5.501  -2.078
   64    HD1  PHE  11           HD1      PHE  11  12.129  -8.413  -1.327
   65    HD2  PHE  11           HD2      PHE  11  11.373  -4.246  -0.615
   66    HE1  PHE  11           HE1      PHE  11  14.331  -8.206  -0.206
   67    HE2  PHE  11           HE2      PHE  11  13.575  -4.038   0.507
   68    HZ   PHE  11           HZ       PHE  11  15.055  -6.019   0.711
   69    H    ASP  12           HN       ASP  12   7.599  -5.302  -1.645
   70    HA   ASP  12           HA       ASP  12   7.781  -3.326   0.440
   71   1HB   ASP  12           HB2      ASP  12   5.963  -3.831  -1.885
   72   2HB   ASP  12           HB1      ASP  12   5.427  -2.704  -0.639
   73    H    SER  13           HN       SER  13   5.602  -6.060  -0.157
   74    HA   SER  13           HA       SER  13   3.838  -5.421   2.066
   75   1HB   SER  13           HB2      SER  13   3.964  -7.385  -0.039
   76   2HB   SER  13           HB1      SER  13   3.656  -8.183   1.500
   77    HG   SER  13           HG       SER  13   2.215  -6.058   0.288
   78    H    LEU  14           HN       LEU  14   5.680  -8.474   1.749
   79    HA   LEU  14           HA       LEU  14   5.766  -9.183   4.427
   80   1HB   LEU  14           HB2      LEU  14   8.419  -9.537   3.162
   81   2HB   LEU  14           HB1      LEU  14   7.354 -10.737   3.885
   82    HG   LEU  14           HG       LEU  14   7.091  -9.529   1.128
   83   1HD1  LEU  14          HD13      LEU  14   8.230 -12.029   2.245
   84   2HD1  LEU  14          HD12      LEU  14   7.248 -12.209   0.792
   85   3HD1  LEU  14          HD11      LEU  14   8.661 -11.156   0.775
   86   1HD2  LEU  14          HD21      LEU  14   4.934 -10.100   2.463
   87   2HD2  LEU  14          HD23      LEU  14   5.105 -10.789   0.848
   88   3HD2  LEU  14          HD22      LEU  14   5.435 -11.781   2.269
   89    H    GLN  15           HN       GLN  15   8.282  -7.220   2.804
   90    HA   GLN  15           HA       GLN  15   9.755  -6.593   5.142
   91   1HB   GLN  15           HB2      GLN  15  10.220  -5.988   2.635
   92   2HB   GLN  15           HB1      GLN  15   9.323  -4.514   3.010
   93   1HG   GLN  15           HG2      GLN  15  11.551  -3.924   3.491
   94   2HG   GLN  15           HG1      GLN  15  10.896  -4.351   5.073
   95   1HE2  GLN  15          HE22      GLN  15  13.093  -7.070   5.516
   96   2HE2  GLN  15          HE21      GLN  15  11.888  -6.079   6.184
   97    H    ALA  16           HN       ALA  16   7.105  -4.720   3.637
   98    HA   ALA  16           HA       ALA  16   6.842  -2.702   5.505
   99   1HB   ALA  16           HB1      ALA  16   4.792  -4.218   3.945
  100   2HB   ALA  16           HB3      ALA  16   4.313  -2.930   5.052
  101   3HB   ALA  16           HB2      ALA  16   5.364  -2.571   3.683
  102    H    SER  17           HN       SER  17   4.429  -5.089   5.713
  103    HA   SER  17           HA       SER  17   4.363  -4.951   8.604
  104   1HB   SER  17           HB2      SER  17   2.686  -5.983   6.536
  105   2HB   SER  17           HB1      SER  17   3.018  -7.297   7.660
  106    HG   SER  17           HG       SER  17   2.341  -4.727   8.600
  107    H    ALA  18           HN       ALA  18   6.609  -5.579   9.083
  108    HA   ALA  18           HA       ALA  18   7.105  -8.503   8.652
  109   1HB   ALA  18           HB2      ALA  18   8.962  -6.146   8.958
  110   2HB   ALA  18           HB1      ALA  18   9.527  -7.794   9.230
  111   3HB   ALA  18           HB3      ALA  18   8.895  -7.329   7.651
  112    H    THR  19           HN       THR  19   8.816  -6.506  10.956
  113    HA   THR  19           HA       THR  19   7.333  -7.027  13.308
  114    HB   THR  19           HB       THR  19   7.633  -9.374  13.069
  115    HG1  THR  19           HG1      THR  19   8.987  -9.850  14.783
  116   1HG2  THR  19          HG22      THR  19   9.493  -8.931  11.282
  117   2HG2  THR  19          HG21      THR  19  10.592  -9.101  12.651
  118   3HG2  THR  19          HG23      THR  19   9.526 -10.432  12.208
  119    H    GLU  20           HN       GLU  20  10.732  -7.295  12.213
  120    HA   GLU  20           HA       GLU  20  11.916  -5.962  14.416
  121   1HB   GLU  20           HB2      GLU  20  13.693  -5.354  12.638
  122   2HB   GLU  20           HB1      GLU  20  13.416  -7.059  12.980
  123   1HG   GLU  20           HG2      GLU  20  11.557  -6.111  10.974
  124   2HG   GLU  20           HG1      GLU  20  13.220  -5.796  10.480
  125    H    TYR  21           HN       TYR  21  12.638  -4.144  11.710
  126    HA   TYR  21           HA       TYR  21  11.574  -1.776  12.857
  127   1HB   TYR  21           HB2      TYR  21  12.373  -0.878  10.629
  128   2HB   TYR  21           HB1      TYR  21  13.607  -1.544  11.644
  129    HD1  TYR  21           HD2      TYR  21  11.453  -2.140   8.690
  130    HD2  TYR  21           HD1      TYR  21  14.811  -3.512  10.985
  131    HE1  TYR  21           HE2      TYR  21  12.046  -3.716   6.873
  132    HE2  TYR  21           HE1      TYR  21  15.408  -5.089   9.167
  133    HH   TYR  21           HH       TYR  21  14.877  -5.875   7.166
  134    H    ILE  22           HN       ILE  22  10.158  -4.334  11.311
  135    HA   ILE  22           HA       ILE  22   8.213  -4.706  10.100
  136    HB   ILE  22           HB       ILE  22   7.371  -3.625  12.208
  137   1HG1  ILE  22          HG12      ILE  22   5.283  -2.642  10.603
  138   2HG1  ILE  22          HG11      ILE  22   6.041  -3.908   9.648
  139   1HG2  ILE  22          HG22      ILE  22   7.718  -1.201  10.488
  140   2HG2  ILE  22          HG21      ILE  22   6.394  -1.244  11.644
  141   3HG2  ILE  22          HG23      ILE  22   8.054  -1.413  12.206
  142   1HD1  ILE  22          HD11      ILE  22   5.984  -5.253  11.908
  143   2HD1  ILE  22          HD13      ILE  22   4.714  -4.104  12.330
  144   3HD1  ILE  22          HD12      ILE  22   4.527  -5.144  10.919
  145    H    GLY  23           HN       GLY  23  10.165  -3.612   8.472
  146   1HA   GLY  23           HA2      GLY  23  10.517  -2.207   6.572
  147   2HA   GLY  23           HA1      GLY  23   8.955  -2.901   6.133
  148    H    TYR  24           HN       TYR  24   9.361  -0.800   8.886
  149    HA   TYR  24           HA       TYR  24   8.180   1.093   9.455
  150   1HB   TYR  24           HB2      TYR  24  10.197   1.793   7.903
  151   2HB   TYR  24           HB1      TYR  24   8.892   2.237   6.792
  152    HD1  TYR  24           HD1      TYR  24   6.957   3.586   7.733
  153    HD2  TYR  24           HD2      TYR  24  10.731   3.213   9.709
  154    HE1  TYR  24           HE1      TYR  24   6.415   5.574   9.101
  155    HE2  TYR  24           HE2      TYR  24  10.207   5.205  11.086
  156    HH   TYR  24           HH       TYR  24   8.451   6.546  11.788
  157    H    ALA  25           HN       ALA  25   6.296  -0.493   8.933
  158    HA   ALA  25           HA       ALA  25   4.518   0.954   7.015
  159   1HB   ALA  25           HB3      ALA  25   5.330  -1.844   6.991
  160   2HB   ALA  25           HB2      ALA  25   3.578  -1.680   7.118
  161   3HB   ALA  25           HB1      ALA  25   4.439  -0.931   5.773
  162    H    TRP  26           HN       TRP  26   4.830  -0.984   9.942
  163    HA   TRP  26           HA       TRP  26   2.254  -1.287  10.818
  164   1HB   TRP  26           HB2      TRP  26   3.125  -1.578  12.921
  165   2HB   TRP  26           HB1      TRP  26   4.623  -1.613  12.007
  166    HD1  TRP  26           HD1      TRP  26   3.311  -0.152  14.972
  167    HE1  TRP  26           HE1      TRP  26   4.539   1.980  15.660
  168    HE3  TRP  26           HE3      TRP  26   5.754   0.940  10.596
  169    HZ2  TRP  26           HZ2      TRP  26   6.311   3.902  14.547
  170    HZ3  TRP  26           HZ3      TRP  26   7.208   2.931  10.474
  171    HH2  TRP  26           HH2      TRP  26   7.487   4.416  12.432
  172    H    ALA  27           HN       ALA  27   3.843   1.800  10.366
  173    HA   ALA  27           HA       ALA  27   1.485   3.122  11.627
  174   1HB   ALA  27           HB2      ALA  27   4.071   3.567  12.245
  175   2HB   ALA  27           HB1      ALA  27   3.896   4.711  10.914
  176   3HB   ALA  27           HB3      ALA  27   2.845   4.832  12.325
  177    H    MET  28           HN       MET  28   3.834   4.037   9.100
  178    HA   MET  28           HA       MET  28   2.129   5.658   7.660
  179   1HB   MET  28           HB2      MET  28   4.743   4.912   7.401
  180   2HB   MET  28           HB1      MET  28   4.009   4.139   5.995
  181   1HG   MET  28           HG2      MET  28   3.992   6.129   4.945
  182   2HG   MET  28           HG1      MET  28   2.889   6.742   6.176
  183   1HE   MET  28           HE2      MET  28   6.374   5.452   5.839
  184   2HE   MET  28           HE1      MET  28   6.651   6.868   4.828
  185   3HE   MET  28           HE3      MET  28   7.459   6.722   6.396
  186    H    VAL  29           HN       VAL  29   2.742   2.186   7.240
  187    HA   VAL  29           HA       VAL  29   1.256   1.679   4.941
  188    HB   VAL  29           HB       VAL  29   2.536   0.092   6.718
  189   1HG1  VAL  29          HG13      VAL  29   0.497   0.338   8.281
  190   2HG1  VAL  29          HG12      VAL  29  -0.357  -0.696   7.135
  191   3HG1  VAL  29          HG11      VAL  29   1.072  -1.301   7.972
  192   1HG2  VAL  29          HG23      VAL  29   0.560  -0.443   4.542
  193   2HG2  VAL  29          HG22      VAL  29   2.278  -0.830   4.621
  194   3HG2  VAL  29          HG21      VAL  29   1.111  -1.815   5.502
  195    H    VAL  30           HN       VAL  30   0.042   2.330   8.196
  196    HA   VAL  30           HA       VAL  30  -2.727   1.717   7.488
  197    HB   VAL  30           HB       VAL  30  -1.470   3.094   9.877
  198   1HG1  VAL  30          HG12      VAL  30  -3.818   3.882   9.345
  199   2HG1  VAL  30          HG11      VAL  30  -4.352   2.214   9.553
  200   3HG1  VAL  30          HG13      VAL  30  -3.647   3.090  10.912
  201   1HG2  VAL  30          HG23      VAL  30  -2.347   0.322   9.184
  202   2HG2  VAL  30          HG22      VAL  30  -0.980   0.853  10.163
  203   3HG2  VAL  30          HG21      VAL  30  -2.609   0.868  10.840
  204    H    VAL  31           HN       VAL  31  -0.801   4.676   7.963
  205    HA   VAL  31           HA       VAL  31  -2.838   6.585   7.654
  206    HB   VAL  31           HB       VAL  31   0.066   6.624   6.803
  207   1HG1  VAL  31          HG13      VAL  31  -1.967   8.877   6.799
  208   2HG1  VAL  31          HG12      VAL  31  -0.230   9.089   6.586
  209   3HG1  VAL  31          HG11      VAL  31  -1.163   8.198   5.384
  210   1HG2  VAL  31          HG23      VAL  31  -1.541   7.582   9.170
  211   2HG2  VAL  31          HG22      VAL  31  -0.068   6.612   9.157
  212   3HG2  VAL  31          HG21      VAL  31   0.006   8.333   8.777
  213    H    ILE  32           HN       ILE  32  -0.695   5.388   5.028
  214    HA   ILE  32           HA       ILE  32  -2.212   6.595   2.956
  215    HB   ILE  32           HB       ILE  32  -0.017   5.802   2.559
  216   1HG1  ILE  32          HG12      ILE  32  -1.983   4.159   0.981
  217   2HG1  ILE  32          HG11      ILE  32  -1.607   5.853   0.664
  218   1HG2  ILE  32          HG23      ILE  32  -0.416   3.762   4.139
  219   2HG2  ILE  32          HG22      ILE  32  -0.904   2.959   2.646
  220   3HG2  ILE  32          HG21      ILE  32   0.728   3.611   2.805
  221   1HD1  ILE  32          HD11      ILE  32   0.850   4.379   0.845
  222   2HD1  ILE  32          HD13      ILE  32  -0.224   3.561  -0.290
  223   3HD1  ILE  32          HD12      ILE  32   0.196   5.256  -0.538
  224    H    VAL  33           HN       VAL  33  -2.289   3.222   4.163
  225    HA   VAL  33           HA       VAL  33  -4.267   2.284   2.427
  226    HB   VAL  33           HB       VAL  33  -3.880   1.742   5.389
  227   1HG1  VAL  33          HG13      VAL  33  -5.838   0.617   3.399
  228   2HG1  VAL  33          HG12      VAL  33  -5.239  -0.386   4.720
  229   3HG1  VAL  33          HG11      VAL  33  -6.115   1.103   5.071
  230   1HG2  VAL  33          HG22      VAL  33  -2.172   1.101   3.506
  231   2HG2  VAL  33          HG21      VAL  33  -2.619  -0.113   4.704
  232   3HG2  VAL  33          HG23      VAL  33  -3.354  -0.142   3.102
  233    H    GLY  34           HN       GLY  34  -4.498   4.669   4.915
  234   1HA   GLY  34           HA2      GLY  34  -7.403   4.595   5.116
  235   2HA   GLY  34           HA1      GLY  34  -6.364   5.949   5.600
  236    H    ALA  35           HN       ALA  35  -5.013   6.565   3.381
  237    HA   ALA  35           HA       ALA  35  -6.870   8.038   1.789
  238   1HB   ALA  35           HB2      ALA  35  -3.951   7.489   1.750
  239   2HB   ALA  35           HB1      ALA  35  -4.667   7.992   0.219
  240   3HB   ALA  35           HB3      ALA  35  -4.809   9.026   1.641
  241    H    THR  36           HN       THR  36  -4.908   5.087   0.882
  242    HA   THR  36           HA       THR  36  -6.049   4.795  -1.701
  243    HB   THR  36           HB       THR  36  -5.318   2.431   0.020
  244    HG1  THR  36           HG1      THR  36  -3.640   4.402  -1.117
  245   1HG2  THR  36          HG22      THR  36  -5.558   3.074  -2.851
  246   2HG2  THR  36          HG21      THR  36  -4.120   2.151  -2.416
  247   3HG2  THR  36          HG23      THR  36  -5.721   1.524  -2.026
  248    H    ILE  37           HN       ILE  37  -6.983   2.988   1.252
  249    HA   ILE  37           HA       ILE  37  -9.290   1.742   0.168
  250    HB   ILE  37           HB       ILE  37  -8.814   2.652   3.013
  251   1HG1  ILE  37          HG12      ILE  37  -7.045   1.176   1.937
  252   2HG1  ILE  37          HG11      ILE  37  -7.820   0.486   3.364
  253   1HG2  ILE  37          HG22      ILE  37 -10.750   0.706   1.744
  254   2HG2  ILE  37          HG21      ILE  37 -10.327   0.625   3.455
  255   3HG2  ILE  37          HG23      ILE  37 -11.114   2.064   2.807
  256   1HD1  ILE  37          HD13      ILE  37  -8.937  -0.064   0.625
  257   2HD1  ILE  37          HD12      ILE  37  -7.572  -1.002   1.231
  258   3HD1  ILE  37          HD11      ILE  37  -9.106  -1.014   2.101
  259    H    GLY  38           HN       GLY  38  -8.837   5.036   1.067
  260   1HA   GLY  38           HA2      GLY  38 -11.669   5.619   1.504
  261   2HA   GLY  38           HA1      GLY  38 -10.376   6.817   1.374
  262    H    ILE  39           HN       ILE  39  -9.325   6.682  -0.944
  263    HA   ILE  39           HA       ILE  39 -11.310   7.518  -2.825
  264    HB   ILE  39           HB       ILE  39  -8.765   8.077  -2.716
  265   1HG1  ILE  39          HG12      ILE  39  -9.449   7.334  -5.509
  266   2HG1  ILE  39          HG11      ILE  39 -10.604   8.371  -4.669
  267   1HG2  ILE  39          HG21      ILE  39  -8.229   5.547  -2.794
  268   2HG2  ILE  39          HG23      ILE  39  -8.548   5.671  -4.524
  269   3HG2  ILE  39          HG22      ILE  39  -7.252   6.620  -3.796
  270   1HD1  ILE  39          HD13      ILE  39  -7.921   9.273  -4.124
  271   2HD1  ILE  39          HD12      ILE  39  -8.160   9.145  -5.866
  272   3HD1  ILE  39          HD11      ILE  39  -9.243  10.147  -4.898
  273    H    LYS  40           HN       LYS  40 -10.306   4.448  -1.732
  274    HA   LYS  40           HA       LYS  40 -10.768   2.998  -4.228
  275   1HB   LYS  40           HB2      LYS  40  -9.881   2.396  -1.549
  276   2HB   LYS  40           HB1      LYS  40 -11.151   1.267  -2.022
  277   1HG   LYS  40           HG2      LYS  40  -9.122   1.840  -4.104
  278   2HG   LYS  40           HG1      LYS  40  -8.540   0.944  -2.700
  279   1HD   LYS  40           HD2      LYS  40 -11.062   0.169  -4.174
  280   2HD   LYS  40           HD1      LYS  40  -9.477  -0.465  -4.619
  281   1HE   LYS  40           HE2      LYS  40 -10.503  -0.617  -1.785
  282   2HE   LYS  40           HE1      LYS  40 -10.868  -1.870  -2.971
  283   1HZ   LYS  40           HZ1      LYS  40  -8.114  -1.196  -3.017
  284   2HZ   LYS  40           HZ3      LYS  40  -8.586  -1.644  -1.453
  285   3HZ   LYS  40           HZ2      LYS  40  -8.845  -2.706  -2.752
  286    H    LEU  41           HN       LEU  41 -12.572   2.858  -1.131
  287    HA   LEU  41           HA       LEU  41 -14.927   1.734  -2.264
  288   1HB   LEU  41           HB2      LEU  41 -14.328   1.899   0.208
  289   2HB   LEU  41           HB1      LEU  41 -14.860   3.579   0.136
  290    HG   LEU  41           HG       LEU  41 -16.824   1.857  -1.107
  291   1HD1  LEU  41          HD12      LEU  41 -15.829   0.183   0.472
  292   2HD1  LEU  41          HD11      LEU  41 -16.208   1.273   1.804
  293   3HD1  LEU  41          HD13      LEU  41 -17.508   0.572   0.840
  294   1HD2  LEU  41          HD22      LEU  41 -16.608   4.047   0.842
  295   2HD2  LEU  41          HD21      LEU  41 -17.857   3.739  -0.364
  296   3HD2  LEU  41          HD23      LEU  41 -17.920   2.923   1.198
  297    H    PHE  42           HN       PHE  42 -14.016   5.120  -1.685
  298    HA   PHE  42           HA       PHE  42 -16.471   6.300  -2.502
  299   1HB   PHE  42           HB2      PHE  42 -13.632   7.219  -2.297
  300   2HB   PHE  42           HB1      PHE  42 -14.766   8.224  -3.199
  301    HD1  PHE  42           HD2      PHE  42 -16.024   6.108  -0.493
  302    HD2  PHE  42           HD1      PHE  42 -14.564  10.023  -1.494
  303    HE1  PHE  42           HE2      PHE  42 -16.939   6.993   1.635
  304    HE2  PHE  42           HE1      PHE  42 -15.479  10.907   0.634
  305    HZ   PHE  42           HZ       PHE  42 -16.667   9.392   2.198
  306    H    LYS  43           HN       LYS  43 -13.443   5.939  -4.419
  307    HA   LYS  43           HA       LYS  43 -14.814   6.589  -6.903
  308   1HB   LYS  43           HB2      LYS  43 -12.146   5.207  -6.496
  309   2HB   LYS  43           HB1      LYS  43 -12.714   5.955  -7.988
  310   1HG   LYS  43           HG2      LYS  43 -12.831   7.711  -5.626
  311   2HG   LYS  43           HG1      LYS  43 -11.210   7.231  -6.109
  312   1HD   LYS  43           HD2      LYS  43 -11.404   8.997  -7.543
  313   2HD   LYS  43           HD1      LYS  43 -12.255   7.812  -8.536
  314   1HE   LYS  43           HE2      LYS  43 -13.579   9.878  -8.324
  315   2HE   LYS  43           HE1      LYS  43 -14.402   8.525  -7.547
  316   1HZ   LYS  43           HZ1      LYS  43 -12.630   9.826  -5.745
  317   2HZ   LYS  43           HZ3      LYS  43 -13.740  10.932  -6.396
  318   3HZ   LYS  43           HZ2      LYS  43 -14.299   9.541  -5.595
  319    H    LYS  44           HN       LYS  44 -15.129   3.891  -5.034
  320    HA   LYS  44           HA       LYS  44 -14.879   1.778  -6.970
  321   1HB   LYS  44           HB2      LYS  44 -15.617   2.013  -4.226
  322   2HB   LYS  44           HB1      LYS  44 -16.923   1.165  -5.055
  323   1HG   LYS  44           HG2      LYS  44 -15.285  -0.410  -6.026
  324   2HG   LYS  44           HG1      LYS  44 -13.983   0.431  -5.185
  325   1HD   LYS  44           HD2      LYS  44 -14.546  -1.454  -3.820
  326   2HD   LYS  44           HD1      LYS  44 -15.240  -0.043  -3.021
  327   1HE   LYS  44           HE2      LYS  44 -17.216  -0.876  -4.820
  328   2HE   LYS  44           HE1      LYS  44 -16.586  -2.369  -4.126
  329   1HZ   LYS  44           HZ1      LYS  44 -17.445  -0.012  -2.540
  330   2HZ   LYS  44           HZ3      LYS  44 -18.405  -1.382  -2.819
  331   3HZ   LYS  44           HZ2      LYS  44 -16.963  -1.524  -1.932
  332    H    PHE  45           HN       PHE  45 -17.160   4.289  -6.536
  333    HA   PHE  45           HA       PHE  45 -19.063   2.862  -8.362
  334   1HB   PHE  45           HB2      PHE  45 -20.891   3.974  -7.338
  335   2HB   PHE  45           HB1      PHE  45 -19.870   3.495  -5.985
  336    HD1  PHE  45           HD2      PHE  45 -20.973   6.327  -8.093
  337    HD2  PHE  45           HD1      PHE  45 -18.641   5.140  -4.685
  338    HE1  PHE  45           HE2      PHE  45 -20.783   8.701  -7.396
  339    HE2  PHE  45           HE1      PHE  45 -18.452   7.514  -3.988
  340    HZ   PHE  45           HZ       PHE  45 -19.523   9.293  -5.344
  341    H    THR  46           HN       THR  46 -17.525   5.958  -7.606
  342    HA   THR  46           HA       THR  46 -18.630   7.386  -9.746
  343    HB   THR  46           HB       THR  46 -16.136   7.806  -8.116
  344    HG1  THR  46           HG1      THR  46 -17.394   9.298  -7.092
  345   1HG2  THR  46          HG22      THR  46 -15.864   8.812 -10.358
  346   2HG2  THR  46          HG21      THR  46 -17.395   9.663 -10.153
  347   3HG2  THR  46          HG23      THR  46 -16.026  10.049  -9.111
  348    H    SER  47           HN       SER  47 -16.045   5.124  -9.484
  349    HA   SER  47           HA       SER  47 -15.005   5.865 -12.172
  350   1HB   SER  47           HB2      SER  47 -13.953   3.681 -10.377
  351   2HB   SER  47           HB1      SER  47 -13.109   4.521 -11.675
  352    HG   SER  47           HG       SER  47 -12.997   6.326 -10.427
  353    H    LYS  48           HN       LYS  48 -14.098   3.139 -12.736
  354    HA   LYS  48           HA       LYS  48 -16.637   2.114 -13.841
  355   1HB   LYS  48           HB2      LYS  48 -15.145   0.522 -15.059
  356   2HB   LYS  48           HB1      LYS  48 -14.712   2.208 -15.340
  357   1HG   LYS  48           HG2      LYS  48 -12.864   2.087 -13.833
  358   2HG   LYS  48           HG1      LYS  48 -13.408   0.542 -13.182
  359   1HD   LYS  48           HD2      LYS  48 -12.861   0.716 -16.117
  360   2HD   LYS  48           HD1      LYS  48 -11.485   0.648 -15.015
  361   1HE   LYS  48           HE2      LYS  48 -12.452  -1.393 -13.972
  362   2HE   LYS  48           HE1      LYS  48 -13.768  -1.343 -15.145
  363   1HZ   LYS  48           HZ3      LYS  48 -11.619  -1.173 -16.732
  364   2HZ   LYS  48           HZ2      LYS  48 -11.015  -2.161 -15.488
  365   3HZ   LYS  48           HZ1      LYS  48 -12.405  -2.626 -16.349
  366    H    ALA  49           HN       ALA  49 -14.445   1.442 -11.249
  367    HA   ALA  49           HA       ALA  49 -14.702  -1.287 -10.800
  368   1HB   ALA  49           HB1      ALA  49 -13.975   0.968  -9.258
  369   2HB   ALA  49           HB3      ALA  49 -15.184   0.098  -8.314
  370   3HB   ALA  49           HB2      ALA  49 -13.723  -0.729  -8.851
  371    H    SER  50           HN       SER  50 -17.147   1.218 -10.336
  372    HA   SER  50           HA       SER  50 -19.068  -0.078  -8.798
  373   1HB   SER  50           HB2      SER  50 -20.567   1.460  -9.630
  374   2HB   SER  50           HB1      SER  50 -19.082   2.212 -10.203
  375    HG   SER  50           HG       SER  50 -20.922   0.579 -11.605
   
  No H/Q in entry =         375
  Start of MODEL    3
    1   1H    ALA   1           HT3      ALA   1  -0.680  18.362  -1.861
    2   2H    ALA   1           HT2      ALA   1  -0.813  17.642  -0.327
    3   3H    ALA   1           HT1      ALA   1  -0.085  16.795  -1.608
    4    HA   ALA   1           HA       ALA   1  -2.277  15.926  -1.290
    5   1HB   ALA   1           HB3      ALA   1  -2.891  18.436  -0.420
    6   2HB   ALA   1           HB2      ALA   1  -3.600  18.467  -2.035
    7   3HB   ALA   1           HB1      ALA   1  -4.099  17.236  -0.875
    8    H    GLU   2           HN       GLU   2  -1.010  15.237  -3.290
    9    HA   GLU   2           HA       GLU   2  -1.912  16.612  -5.765
   10   1HB   GLU   2           HB2      GLU   2   0.538  15.719  -5.176
   11   2HB   GLU   2           HB1      GLU   2  -0.121  14.223  -5.841
   12   1HG   GLU   2           HG2      GLU   2  -0.546  15.202  -7.947
   13   2HG   GLU   2           HG1      GLU   2  -0.434  16.841  -7.302
   14    H    GLY   3           HN       GLY   3  -4.156  15.779  -5.345
   15   1HA   GLY   3           HA2      GLY   3  -5.729  14.330  -6.470
   16   2HA   GLY   3           HA1      GLY   3  -4.460  13.111  -6.613
   17    H    ASP   4           HN       ASP   4  -6.684  14.645  -4.324
   18    HA   ASP   4           HA       ASP   4  -7.010  12.119  -2.908
   19   1HB   ASP   4           HB2      ASP   4  -4.844  13.291  -2.017
   20   2HB   ASP   4           HB1      ASP   4  -5.976  14.377  -1.210
   21    H    ASP   5           HN       ASP   5  -8.865  12.172  -1.549
   22    HA   ASP   5           HA       ASP   5 -10.354  14.763  -1.522
   23   1HB   ASP   5           HB2      ASP   5 -11.204  12.081  -2.529
   24   2HB   ASP   5           HB1      ASP   5 -12.407  13.055  -1.682
   25    HA   PRO   6           HA       PRO   6 -11.049  13.825   2.710
   26   1HB   PRO   6           HB2      PRO   6 -13.365  15.243   3.122
   27   2HB   PRO   6           HB1      PRO   6 -11.773  16.001   2.937
   28   1HG   PRO   6           HG2      PRO   6 -14.032  15.899   0.986
   29   2HG   PRO   6           HG1      PRO   6 -12.713  17.076   1.112
   30   1HD   PRO   6           HD2      PRO   6 -12.874  14.925  -0.751
   31   2HD   PRO   6           HD1      PRO   6 -11.454  15.946  -0.440
   32    H    ALA   7           HN       ALA   7 -12.032  11.724   0.963
   33    HA   ALA   7           HA       ALA   7 -14.162  10.663   2.688
   34   1HB   ALA   7           HB2      ALA   7 -14.931  11.964   0.379
   35   2HB   ALA   7           HB1      ALA   7 -14.822  10.286  -0.151
   36   3HB   ALA   7           HB3      ALA   7 -15.874  10.718   1.197
   37    H    LYS   8           HN       LYS   8 -12.917   9.876  -0.569
   38    HA   LYS   8           HA       LYS   8 -12.755   7.105  -0.247
   39   1HB   LYS   8           HB2      LYS   8 -10.808   7.274  -1.911
   40   2HB   LYS   8           HB1      LYS   8 -12.337   7.998  -2.415
   41   1HG   LYS   8           HG2      LYS   8 -11.457  10.080  -2.453
   42   2HG   LYS   8           HG1      LYS   8 -10.669   9.855  -0.890
   43   1HD   LYS   8           HD2      LYS   8  -9.529   8.365  -3.205
   44   2HD   LYS   8           HD1      LYS   8  -9.267  10.109  -3.164
   45   1HE   LYS   8           HE2      LYS   8  -8.514   9.770  -0.728
   46   2HE   LYS   8           HE1      LYS   8  -8.439   8.051  -1.115
   47   1HZ   LYS   8           HZ2      LYS   8  -7.102  10.068  -2.807
   48   2HZ   LYS   8           HZ1      LYS   8  -6.339   9.430  -1.430
   49   3HZ   LYS   8           HZ3      LYS   8  -6.794   8.401  -2.698
   50    H    ALA   9           HN       ALA   9 -10.753   9.574   1.161
   51    HA   ALA   9           HA       ALA   9  -8.381   8.144   1.699
   52   1HB   ALA   9           HB3      ALA   9  -9.831  10.205   3.385
   53   2HB   ALA   9           HB2      ALA   9  -8.196   9.635   3.718
   54   3HB   ALA   9           HB1      ALA   9  -8.538  10.506   2.224
   55    H    ALA  10           HN       ALA  10 -10.662   8.755   4.356
   56    HA   ALA  10           HA       ALA  10  -9.887   6.520   5.881
   57   1HB   ALA  10           HB1      ALA  10 -12.081   8.441   5.913
   58   2HB   ALA  10           HB3      ALA  10 -12.584   6.850   6.482
   59   3HB   ALA  10           HB2      ALA  10 -11.238   7.681   7.262
   60    H    PHE  11           HN       PHE  11 -12.008   6.677   3.108
   61    HA   PHE  11           HA       PHE  11 -13.532   4.350   3.485
   62   1HB   PHE  11           HB2      PHE  11 -12.847   6.035   1.284
   63   2HB   PHE  11           HB1      PHE  11 -12.625   4.358   0.775
   64    HD1  PHE  11           HD1      PHE  11 -14.590   2.887   2.307
   65    HD2  PHE  11           HD2      PHE  11 -14.932   6.748   0.461
   66    HE1  PHE  11           HE1      PHE  11 -17.046   2.601   2.176
   67    HE2  PHE  11           HE2      PHE  11 -17.391   6.462   0.326
   68    HZ   PHE  11           HZ       PHE  11 -18.450   4.389   1.182
   69    H    ASP  12           HN       ASP  12 -10.298   4.575   1.961
   70    HA   ASP  12           HA       ASP  12  -9.968   1.706   1.836
   71   1HB   ASP  12           HB2      ASP  12  -8.719   3.593   0.523
   72   2HB   ASP  12           HB1      ASP  12  -7.663   3.640   1.935
   73    H    SER  13           HN       SER  13  -9.147   4.196   4.209
   74    HA   SER  13           HA       SER  13  -7.481   2.498   5.851
   75   1HB   SER  13           HB2      SER  13  -9.089   4.914   6.717
   76   2HB   SER  13           HB1      SER  13  -7.680   4.238   7.530
   77    HG   SER  13           HG       SER  13  -7.582   5.069   4.831
   78    H    LEU  14           HN       LEU  14 -10.606   3.866   6.920
   79    HA   LEU  14           HA       LEU  14 -11.256   2.076   8.892
   80   1HB   LEU  14           HB2      LEU  14 -13.579   2.602   8.518
   81   2HB   LEU  14           HB1      LEU  14 -12.654   4.042   8.091
   82    HG   LEU  14           HG       LEU  14 -12.634   2.911   5.698
   83   1HD1  LEU  14          HD12      LEU  14 -14.510   1.304   7.239
   84   2HD1  LEU  14          HD11      LEU  14 -15.298   2.051   5.849
   85   3HD1  LEU  14          HD13      LEU  14 -13.880   1.029   5.615
   86   1HD2  LEU  14          HD23      LEU  14 -14.588   4.657   7.096
   87   2HD2  LEU  14          HD22      LEU  14 -13.640   4.969   5.641
   88   3HD2  LEU  14          HD21      LEU  14 -15.114   4.006   5.544
   89    H    GLN  15           HN       GLN  15 -11.417   1.501   5.405
   90    HA   GLN  15           HA       GLN  15 -12.895  -0.949   5.507
   91   1HB   GLN  15           HB2      GLN  15 -11.159   0.439   3.544
   92   2HB   GLN  15           HB1      GLN  15 -11.294  -1.309   3.344
   93   1HG   GLN  15           HG2      GLN  15 -13.766   0.346   3.790
   94   2HG   GLN  15           HG1      GLN  15 -13.056   0.235   2.179
   95   1HE2  GLN  15          HE22      GLN  15 -15.392  -2.746   3.364
   96   2HE2  GLN  15          HE21      GLN  15 -15.415  -1.175   4.011
   97    H    ALA  16           HN       ALA  16  -9.357  -0.374   5.388
   98    HA   ALA  16           HA       ALA  16  -8.791  -3.170   5.836
   99   1HB   ALA  16           HB3      ALA  16  -7.202  -1.736   4.618
  100   2HB   ALA  16           HB2      ALA  16  -6.974  -0.772   6.077
  101   3HB   ALA  16           HB1      ALA  16  -6.443  -2.453   6.039
  102    H    SER  17           HN       SER  17  -9.998  -0.920   7.823
  103    HA   SER  17           HA       SER  17  -8.481  -1.579  10.243
  104   1HB   SER  17           HB2      SER  17 -10.504   0.371   9.466
  105   2HB   SER  17           HB1      SER  17 -10.862  -0.353  11.030
  106    HG   SER  17           HG       SER  17  -9.385   1.555  10.931
  107    H    ALA  18           HN       ALA  18  -9.474  -3.934   9.065
  108    HA   ALA  18           HA       ALA  18 -11.032  -5.732   9.426
  109   1HB   ALA  18           HB1      ALA  18  -9.381  -5.765  11.319
  110   2HB   ALA  18           HB3      ALA  18 -10.606  -4.951  12.287
  111   3HB   ALA  18           HB2      ALA  18 -10.923  -6.559  11.639
  112    H    THR  19           HN       THR  19 -12.404  -3.202   9.023
  113    HA   THR  19           HA       THR  19 -14.602  -3.254  10.994
  114    HB   THR  19           HB       THR  19 -13.794  -1.089  10.038
  115    HG1  THR  19           HG1      THR  19 -16.174  -1.807  10.505
  116   1HG2  THR  19          HG22      THR  19 -13.308  -2.067   7.765
  117   2HG2  THR  19          HG21      THR  19 -15.046  -2.071   7.465
  118   3HG2  THR  19          HG23      THR  19 -14.200  -0.546   7.726
  119    H    GLU  20           HN       GLU  20 -13.845  -5.394   8.838
  120    HA   GLU  20           HA       GLU  20 -16.455  -6.360   8.353
  121   1HB   GLU  20           HB2      GLU  20 -16.251  -4.344   6.749
  122   2HB   GLU  20           HB1      GLU  20 -15.168  -5.401   5.841
  123   1HG   GLU  20           HG2      GLU  20 -17.390  -5.664   4.930
  124   2HG   GLU  20           HG1      GLU  20 -16.994  -7.131   5.824
  125    H    TYR  21           HN       TYR  21 -13.593  -6.215   6.493
  126    HA   TYR  21           HA       TYR  21 -13.052  -9.069   6.968
  127   1HB   TYR  21           HB2      TYR  21 -12.141  -8.398   4.407
  128   2HB   TYR  21           HB1      TYR  21 -13.428  -9.524   4.784
  129    HD1  TYR  21           HD2      TYR  21 -12.623  -5.969   4.071
  130    HD2  TYR  21           HD1      TYR  21 -15.700  -8.953   4.307
  131    HE1  TYR  21           HE2      TYR  21 -14.215  -4.403   3.010
  132    HE2  TYR  21           HE1      TYR  21 -17.295  -7.385   3.242
  133    HH   TYR  21           HH       TYR  21 -17.520  -4.849   3.032
  134    H    ILE  22           HN       ILE  22 -12.062  -6.088   7.542
  135    HA   ILE  22           HA       ILE  22 -10.018  -5.220   8.122
  136    HB   ILE  22           HB       ILE  22  -8.273  -6.597   8.670
  137   1HG1  ILE  22          HG12      ILE  22  -8.609  -7.553   5.893
  138   2HG1  ILE  22          HG11      ILE  22  -7.141  -7.346   6.825
  139   1HG2  ILE  22          HG23      ILE  22 -10.615  -7.664   9.235
  140   2HG2  ILE  22          HG22      ILE  22 -10.106  -8.904   8.091
  141   3HG2  ILE  22          HG21      ILE  22  -9.135  -8.577   9.527
  142   1HD1  ILE  22          HD13      ILE  22  -9.051  -9.683   7.150
  143   2HD1  ILE  22          HD12      ILE  22  -7.582  -9.733   6.178
  144   3HD1  ILE  22          HD11      ILE  22  -7.477  -9.495   7.921
  145    H    GLY  23           HN       GLY  23 -11.263  -5.311   5.324
  146   1HA   GLY  23           HA2      GLY  23 -10.617  -4.637   3.133
  147   2HA   GLY  23           HA1      GLY  23  -9.596  -3.496   4.020
  148    H    TYR  24           HN       TYR  24  -9.287  -6.904   4.356
  149    HA   TYR  24           HA       TYR  24  -7.301  -8.142   4.311
  150   1HB   TYR  24           HB2      TYR  24  -8.637  -8.005   1.884
  151   2HB   TYR  24           HB1      TYR  24  -6.931  -7.783   1.465
  152    HD1  TYR  24           HD1      TYR  24  -9.244  -9.905   3.486
  153    HD2  TYR  24           HD2      TYR  24  -5.430  -9.566   1.554
  154    HE1  TYR  24           HE1      TYR  24  -8.763 -12.276   4.008
  155    HE2  TYR  24           HE2      TYR  24  -4.948 -11.936   2.064
  156    HH   TYR  24           HH       TYR  24  -5.779 -13.622   3.906
  157    H    ALA  25           HN       ALA  25  -6.668  -5.527   5.017
  158    HA   ALA  25           HA       ALA  25  -4.016  -5.228   3.704
  159   1HB   ALA  25           HB3      ALA  25  -6.124  -3.252   4.204
  160   2HB   ALA  25           HB2      ALA  25  -4.574  -2.778   4.902
  161   3HB   ALA  25           HB1      ALA  25  -4.695  -3.126   3.177
  162    H    TRP  26           HN       TRP  26  -5.676  -6.154   6.425
  163    HA   TRP  26           HA       TRP  26  -4.174  -4.974   8.526
  164   1HB   TRP  26           HB2      TRP  26  -5.393  -6.373   9.902
  165   2HB   TRP  26           HB1      TRP  26  -6.395  -6.463   8.457
  166    HD1  TRP  26           HD1      TRP  26  -4.854  -8.615  10.896
  167    HE1  TRP  26           HE1      TRP  26  -4.616 -11.021  10.071
  168    HE3  TRP  26           HE3      TRP  26  -5.578  -7.943   5.853
  169    HZ2  TRP  26           HZ2      TRP  26  -4.695 -12.488   7.637
  170    HZ3  TRP  26           HZ3      TRP  26  -5.481  -9.882   4.324
  171    HH2  TRP  26           HH2      TRP  26  -5.038 -12.151   5.211
  172    H    ALA  27           HN       ALA  27  -3.490  -7.644   6.387
  173    HA   ALA  27           HA       ALA  27  -0.893  -7.961   7.781
  174   1HB   ALA  27           HB1      ALA  27  -2.433  -9.840   8.358
  175   2HB   ALA  27           HB3      ALA  27  -2.539 -10.230   6.641
  176   3HB   ALA  27           HB2      ALA  27  -0.997 -10.374   7.484
  177    H    MET  28           HN       MET  28  -2.517  -9.216   4.864
  178    HA   MET  28           HA       MET  28  -0.347  -9.519   3.252
  179   1HB   MET  28           HB2      MET  28  -3.184  -9.245   2.873
  180   2HB   MET  28           HB1      MET  28  -2.320  -8.424   1.572
  181   1HG   MET  28           HG2      MET  28  -1.037 -10.943   2.148
  182   2HG   MET  28           HG1      MET  28  -2.755 -11.205   1.846
  183   1HE   MET  28           HE1      MET  28  -0.101 -12.107   0.229
  184   2HE   MET  28           HE3      MET  28  -1.708 -12.694  -0.224
  185   3HE   MET  28           HE2      MET  28  -0.645 -11.996  -1.443
  186    H    VAL  29           HN       VAL  29  -1.711  -6.510   4.358
  187    HA   VAL  29           HA       VAL  29  -0.684  -4.819   2.267
  188    HB   VAL  29           HB       VAL  29  -2.391  -4.345   4.230
  189   1HG1  VAL  29          HG11      VAL  29  -0.724  -4.695   6.040
  190   2HG1  VAL  29          HG13      VAL  29   0.239  -3.361   5.403
  191   3HG1  VAL  29          HG12      VAL  29  -1.367  -3.053   6.066
  192   1HG2  VAL  29          HG21      VAL  29  -0.863  -2.753   2.430
  193   2HG2  VAL  29          HG23      VAL  29  -2.425  -2.368   3.153
  194   3HG2  VAL  29          HG22      VAL  29  -0.935  -1.879   3.960
  195    H    VAL  30           HN       VAL  30   0.700  -5.800   5.411
  196    HA   VAL  30           HA       VAL  30   3.138  -4.274   4.996
  197    HB   VAL  30           HB       VAL  30   3.000  -6.631   6.849
  198   1HG1  VAL  30          HG12      VAL  30   4.597  -4.245   6.466
  199   2HG1  VAL  30          HG11      VAL  30   3.921  -4.277   8.094
  200   3HG1  VAL  30          HG13      VAL  30   4.902  -5.626   7.521
  201   1HG2  VAL  30          HG21      VAL  30   1.167  -4.328   6.813
  202   2HG2  VAL  30          HG23      VAL  30   1.038  -5.853   7.690
  203   3HG2  VAL  30          HG22      VAL  30   2.009  -4.536   8.349
  204    H    VAL  31           HN       VAL  31   2.260  -7.722   4.713
  205    HA   VAL  31           HA       VAL  31   4.744  -8.823   4.087
  206    HB   VAL  31           HB       VAL  31   1.978  -9.428   3.025
  207   1HG1  VAL  31          HG12      VAL  31   4.580 -10.364   2.029
  208   2HG1  VAL  31          HG11      VAL  31   3.502 -11.674   2.508
  209   3HG1  VAL  31          HG13      VAL  31   2.982 -10.503   1.297
  210   1HG2  VAL  31          HG23      VAL  31   3.825 -10.488   5.139
  211   2HG2  VAL  31          HG22      VAL  31   2.095 -10.161   5.231
  212   3HG2  VAL  31          HG21      VAL  31   2.677 -11.593   4.383
  213    H    ILE  32           HN       ILE  32   2.434  -7.418   1.720
  214    HA   ILE  32           HA       ILE  32   4.192  -7.628  -0.493
  215    HB   ILE  32           HB       ILE  32   1.902  -7.177  -0.824
  216   1HG1  ILE  32          HG12      ILE  32   2.588  -4.594  -1.816
  217   2HG1  ILE  32          HG11      ILE  32   3.984  -5.659  -1.979
  218   1HG2  ILE  32          HG22      ILE  32   1.899  -5.681   1.354
  219   2HG2  ILE  32          HG21      ILE  32   2.083  -4.393   0.168
  220   3HG2  ILE  32          HG23      ILE  32   0.681  -5.460   0.101
  221   1HD1  ILE  32          HD11      ILE  32   1.392  -6.860  -2.749
  222   2HD1  ILE  32          HD13      ILE  32   1.953  -5.552  -3.789
  223   3HD1  ILE  32          HD12      ILE  32   2.965  -6.974  -3.538
  224    H    VAL  33           HN       VAL  33   3.559  -4.805   1.641
  225    HA   VAL  33           HA       VAL  33   5.344  -3.028   0.451
  226    HB   VAL  33           HB       VAL  33   5.008  -3.498   3.440
  227   1HG1  VAL  33          HG12      VAL  33   6.516  -1.542   1.837
  228   2HG1  VAL  33          HG11      VAL  33   5.460  -0.816   3.048
  229   3HG1  VAL  33          HG13      VAL  33   6.692  -1.979   3.536
  230   1HG2  VAL  33          HG23      VAL  33   3.089  -2.765   1.575
  231   2HG2  VAL  33          HG22      VAL  33   3.013  -2.431   3.304
  232   3HG2  VAL  33          HG21      VAL  33   3.651  -1.214   2.199
  233    H    GLY  34           HN       GLY  34   6.031  -5.991   2.101
  234   1HA   GLY  34           HA2      GLY  34   8.852  -5.435   2.536
  235   2HA   GLY  34           HA1      GLY  34   8.110  -7.045   2.482
  236    H    ALA  35           HN       ALA  35   6.977  -7.233   0.103
  237    HA   ALA  35           HA       ALA  35   9.132  -7.659  -1.723
  238   1HB   ALA  35           HB2      ALA  35   6.140  -7.475  -2.151
  239   2HB   ALA  35           HB1      ALA  35   7.276  -7.948  -3.416
  240   3HB   ALA  35           HB3      ALA  35   7.107  -8.938  -1.966
  241    H    THR  36           HN       THR  36   6.558  -5.061  -1.784
  242    HA   THR  36           HA       THR  36   7.549  -3.706  -4.055
  243    HB   THR  36           HB       THR  36   6.509  -2.097  -1.760
  244    HG1  THR  36           HG1      THR  36   4.662  -3.120  -1.704
  245   1HG2  THR  36          HG21      THR  36   6.484  -2.093  -4.710
  246   2HG2  THR  36          HG23      THR  36   4.956  -1.629  -3.960
  247   3HG2  THR  36          HG22      THR  36   6.432  -0.739  -3.580
  248    H    ILE  37           HN       ILE  37   8.155  -2.754  -0.655
  249    HA   ILE  37           HA       ILE  37  10.173  -0.852  -1.167
  250    HB   ILE  37           HB       ILE  37   9.888  -2.744   1.176
  251   1HG1  ILE  37          HG12      ILE  37   9.077   0.165   0.869
  252   2HG1  ILE  37          HG11      ILE  37   7.966  -1.192   0.679
  253   1HG2  ILE  37          HG22      ILE  37  12.177  -1.737   0.938
  254   2HG2  ILE  37          HG21      ILE  37  11.434  -0.139   0.997
  255   3HG2  ILE  37          HG23      ILE  37  11.333  -1.211   2.394
  256   1HD1  ILE  37          HD11      ILE  37   8.476  -1.928   2.985
  257   2HD1  ILE  37          HD13      ILE  37   9.565  -0.554   3.176
  258   3HD1  ILE  37          HD12      ILE  37   7.835  -0.285   2.964
  259    H    GLY  38           HN       GLY  38  10.326  -4.270  -1.458
  260   1HA   GLY  38           HA2      GLY  38  13.205  -4.538  -1.158
  261   2HA   GLY  38           HA1      GLY  38  12.120  -5.759  -1.835
  262    H    ILE  39           HN       ILE  39  11.026  -4.775  -3.968
  263    HA   ILE  39           HA       ILE  39  13.183  -4.467  -5.854
  264    HB   ILE  39           HB       ILE  39  10.854  -5.543  -6.239
  265   1HG1  ILE  39          HG12      ILE  39  10.824  -4.721  -8.622
  266   2HG1  ILE  39          HG11      ILE  39  12.045  -3.532  -8.168
  267   1HG2  ILE  39          HG23      ILE  39   9.925  -3.104  -5.442
  268   2HG2  ILE  39          HG22      ILE  39   9.896  -2.911  -7.195
  269   3HG2  ILE  39          HG21      ILE  39   9.001  -4.229  -6.438
  270   1HD1  ILE  39          HD13      ILE  39  12.351  -6.528  -7.818
  271   2HD1  ILE  39          HD12      ILE  39  13.041  -5.601  -9.149
  272   3HD1  ILE  39          HD11      ILE  39  13.581  -5.305  -7.496
  273    H    LYS  40           HN       LYS  40  11.672  -2.351  -3.704
  274    HA   LYS  40           HA       LYS  40  11.683   0.017  -5.442
  275   1HB   LYS  40           HB2      LYS  40  10.393  -0.548  -3.133
  276   2HB   LYS  40           HB1      LYS  40  11.777   0.335  -2.486
  277   1HG   LYS  40           HG2      LYS  40  10.315   1.463  -4.850
  278   2HG   LYS  40           HG1      LYS  40   9.611   1.644  -3.243
  279   1HD   LYS  40           HD2      LYS  40  12.139   2.369  -2.676
  280   2HD   LYS  40           HD1      LYS  40  12.085   2.850  -4.373
  281   1HE   LYS  40           HE2      LYS  40   9.988   3.646  -2.339
  282   2HE   LYS  40           HE1      LYS  40  11.367   4.658  -2.769
  283   1HZ   LYS  40           HZ2      LYS  40  10.589   4.385  -5.140
  284   2HZ   LYS  40           HZ1      LYS  40   9.139   3.772  -4.501
  285   3HZ   LYS  40           HZ3      LYS  40   9.620   5.357  -4.138
  286    H    LEU  41           HN       LEU  41  13.482  -0.542  -2.402
  287    HA   LEU  41           HA       LEU  41  15.561   1.317  -3.105
  288   1HB   LEU  41           HB2      LEU  41  14.908   0.490  -0.765
  289   2HB   LEU  41           HB1      LEU  41  15.838  -0.962  -1.137
  290    HG   LEU  41           HG       LEU  41  17.768   0.627  -1.740
  291   1HD1  LEU  41          HD12      LEU  41  15.710   2.516  -1.143
  292   2HD1  LEU  41          HD11      LEU  41  16.967   2.681   0.083
  293   3HD1  LEU  41          HD13      LEU  41  17.376   2.839  -1.625
  294   1HD2  LEU  41          HD21      LEU  41  16.721   0.413   1.101
  295   2HD2  LEU  41          HD23      LEU  41  17.823  -0.703   0.294
  296   3HD2  LEU  41          HD22      LEU  41  18.356   0.931   0.691
  297    H    PHE  42           HN       PHE  42  15.031  -2.044  -3.813
  298    HA   PHE  42           HA       PHE  42  17.824  -2.603  -4.475
  299   1HB   PHE  42           HB2      PHE  42  16.237  -4.372  -3.705
  300   2HB   PHE  42           HB1      PHE  42  15.328  -4.163  -5.202
  301    HD1  PHE  42           HD1      PHE  42  18.848  -4.737  -4.033
  302    HD2  PHE  42           HD2      PHE  42  15.871  -5.501  -7.032
  303    HE1  PHE  42           HE1      PHE  42  20.415  -6.264  -5.200
  304    HE2  PHE  42           HE2      PHE  42  17.438  -7.028  -8.199
  305    HZ   PHE  42           HZ       PHE  42  19.710  -7.410  -7.283
  306    H    LYS  43           HN       LYS  43  14.818  -2.176  -6.384
  307    HA   LYS  43           HA       LYS  43  16.237  -2.245  -8.911
  308   1HB   LYS  43           HB2      LYS  43  13.671  -2.628  -8.304
  309   2HB   LYS  43           HB1      LYS  43  13.577  -0.907  -8.678
  310   1HG   LYS  43           HG2      LYS  43  13.470  -1.494 -10.854
  311   2HG   LYS  43           HG1      LYS  43  15.161  -1.978 -10.718
  312   1HD   LYS  43           HD2      LYS  43  14.121  -4.190  -9.710
  313   2HD   LYS  43           HD1      LYS  43  12.693  -3.674 -10.608
  314   1HE   LYS  43           HE2      LYS  43  13.832  -3.745 -12.682
  315   2HE   LYS  43           HE1      LYS  43  15.415  -3.779 -11.904
  316   1HZ   LYS  43           HZ1      LYS  43  13.446  -5.937 -11.475
  317   2HZ   LYS  43           HZ3      LYS  43  14.490  -5.956 -12.811
  318   3HZ   LYS  43           HZ2      LYS  43  15.128  -5.971 -11.235
  319    H    LYS  44           HN       LYS  44  15.968   0.140  -6.514
  320    HA   LYS  44           HA       LYS  44  15.871   2.491  -8.183
  321   1HB   LYS  44           HB2      LYS  44  15.400   2.629  -5.778
  322   2HB   LYS  44           HB1      LYS  44  17.042   2.100  -5.411
  323   1HG   LYS  44           HG2      LYS  44  17.975   4.125  -5.986
  324   2HG   LYS  44           HG1      LYS  44  16.746   4.462  -7.206
  325   1HD   LYS  44           HD2      LYS  44  15.352   4.378  -4.767
  326   2HD   LYS  44           HD1      LYS  44  16.828   5.284  -4.427
  327   1HE   LYS  44           HE2      LYS  44  16.364   6.881  -6.129
  328   2HE   LYS  44           HE1      LYS  44  15.117   5.864  -6.850
  329   1HZ   LYS  44           HZ2      LYS  44  14.131   6.107  -4.420
  330   2HZ   LYS  44           HZ1      LYS  44  14.990   7.571  -4.491
  331   3HZ   LYS  44           HZ3      LYS  44  13.801   7.232  -5.649
  332    H    PHE  45           HN       PHE  45  18.364   0.241  -7.303
  333    HA   PHE  45           HA       PHE  45  20.506   2.040  -8.278
  334   1HB   PHE  45           HB2      PHE  45  20.523   0.196  -6.294
  335   2HB   PHE  45           HB1      PHE  45  21.090  -0.803  -7.633
  336    HD1  PHE  45           HD2      PHE  45  22.687   0.911  -9.281
  337    HD2  PHE  45           HD1      PHE  45  22.337   0.881  -4.999
  338    HE1  PHE  45           HE2      PHE  45  24.939   1.932  -9.088
  339    HE2  PHE  45           HE1      PHE  45  24.589   1.901  -4.808
  340    HZ   PHE  45           HZ       PHE  45  25.890   2.427  -6.852
  341    H    THR  46           HN       THR  46  19.069  -1.108  -9.105
  342    HA   THR  46           HA       THR  46  20.591  -1.503 -11.422
  343    HB   THR  46           HB       THR  46  17.846  -2.634 -11.185
  344    HG1  THR  46           HG1      THR  46  18.275  -3.530  -9.353
  345   1HG2  THR  46          HG22      THR  46  20.051  -3.120 -12.790
  346   2HG2  THR  46          HG21      THR  46  20.139  -4.405 -11.584
  347   3HG2  THR  46          HG23      THR  46  18.685  -4.213 -12.565
  348    H    SER  47           HN       SER  47  17.947   0.513 -10.697
  349    HA   SER  47           HA       SER  47  17.366   0.889 -13.608
  350   1HB   SER  47           HB2      SER  47  15.687   1.875 -11.301
  351   2HB   SER  47           HB1      SER  47  15.215   1.719 -12.990
  352    HG   SER  47           HG       SER  47  15.789  -0.618 -12.589
  353    H    LYS  48           HN       LYS  48  17.415   2.891 -10.625
  354    HA   LYS  48           HA       LYS  48  18.002   5.286 -12.191
  355   1HB   LYS  48           HB2      LYS  48  17.293   4.644  -9.422
  356   2HB   LYS  48           HB1      LYS  48  18.504   5.922  -9.541
  357   1HG   LYS  48           HG2      LYS  48  16.016   5.950 -11.249
  358   2HG   LYS  48           HG1      LYS  48  16.027   6.641  -9.625
  359   1HD   LYS  48           HD2      LYS  48  16.979   8.512 -10.428
  360   2HD   LYS  48           HD1      LYS  48  18.363   7.567 -10.977
  361   1HE   LYS  48           HE2      LYS  48  17.685   8.305 -13.034
  362   2HE   LYS  48           HE1      LYS  48  16.583   6.933 -12.914
  363   1HZ   LYS  48           HZ3      LYS  48  15.548   9.223 -11.580
  364   2HZ   LYS  48           HZ2      LYS  48  15.890   9.572 -13.207
  365   3HZ   LYS  48           HZ1      LYS  48  14.849   8.290 -12.809
  366    H    ALA  49           HN       ALA  49  19.884   2.742 -11.030
  367    HA   ALA  49           HA       ALA  49  22.199   2.519 -10.618
  368   1HB   ALA  49           HB1      ALA  49  21.882   3.279 -13.119
  369   2HB   ALA  49           HB3      ALA  49  22.600   4.786 -12.550
  370   3HB   ALA  49           HB2      ALA  49  23.496   3.273 -12.409
  371    H    SER  50           HN       SER  50  20.975   4.159  -8.702
  372    HA   SER  50           HA       SER  50  22.987   6.344  -8.341
  373   1HB   SER  50           HB2      SER  50  20.111   6.075  -7.503
  374   2HB   SER  50           HB1      SER  50  21.194   7.143  -6.616
  375    HG   SER  50           HG       SER  50  20.780   7.185  -9.431
   
  No H/Q in entry =         375
  Start of MODEL    4
    1   1H    ALA   1           HT2      ALA   1  -2.973  -1.037  -9.393
    2   2H    ALA   1           HT1      ALA   1  -3.319  -0.135  -7.995
    3   3H    ALA   1           HT3      ALA   1  -1.992   0.282  -8.964
    4    HA   ALA   1           HA       ALA   1  -1.050  -0.826  -7.157
    5   1HB   ALA   1           HB2      ALA   1  -3.543  -2.417  -7.389
    6   2HB   ALA   1           HB1      ALA   1  -2.109  -3.310  -6.882
    7   3HB   ALA   1           HB3      ALA   1  -2.657  -1.917  -5.949
    8    H    GLU   2           HN       GLU   2   0.848  -1.489  -8.017
    9    HA   GLU   2           HA       GLU   2   2.381  -2.631  -9.375
   10   1HB   GLU   2           HB2      GLU   2   0.653  -4.521  -8.312
   11   2HB   GLU   2           HB1      GLU   2   0.604  -4.863 -10.044
   12   1HG   GLU   2           HG2      GLU   2   3.319  -4.327  -9.302
   13   2HG   GLU   2           HG1      GLU   2   2.661  -5.528  -8.191
   14    H    GLY   3           HN       GLY   3   2.387  -3.891 -11.669
   15   1HA   GLY   3           HA2      GLY   3   0.968  -3.957 -13.797
   16   2HA   GLY   3           HA1      GLY   3   0.643  -2.255 -13.466
   17    H    ASP   4           HN       ASP   4   3.463  -1.902 -12.461
   18    HA   ASP   4           HA       ASP   4   5.221  -2.477 -14.699
   19   1HB   ASP   4           HB2      ASP   4   3.614  -0.048 -14.758
   20   2HB   ASP   4           HB1      ASP   4   5.339   0.320 -14.755
   21    H    ASP   5           HN       ASP   5   6.435  -3.223 -12.813
   22    HA   ASP   5           HA       ASP   5   8.248  -1.201 -11.797
   23   1HB   ASP   5           HB2      ASP   5   5.873  -1.756 -10.275
   24   2HB   ASP   5           HB1      ASP   5   7.276  -2.350  -9.387
   25    HA   PRO   6           HA       PRO   6  10.733  -4.748 -11.117
   26   1HB   PRO   6           HB2      PRO   6  12.208  -4.022  -8.913
   27   2HB   PRO   6           HB1      PRO   6  12.461  -3.338 -10.530
   28   1HG   PRO   6           HG2      PRO   6  11.162  -2.082  -8.147
   29   2HG   PRO   6           HG1      PRO   6  11.978  -1.307  -9.517
   30   1HD   PRO   6           HD2      PRO   6   9.169  -1.534  -9.168
   31   2HD   PRO   6           HD1      PRO   6  10.003  -1.053 -10.660
   32    H    ALA   7           HN       ALA   7   8.582  -5.859 -10.380
   33    HA   ALA   7           HA       ALA   7   7.455  -7.259  -8.869
   34   1HB   ALA   7           HB3      ALA   7  10.022  -8.046  -8.892
   35   2HB   ALA   7           HB2      ALA   7   9.916  -7.537  -7.206
   36   3HB   ALA   7           HB1      ALA   7   8.829  -8.782  -7.823
   37    H    LYS   8           HN       LYS   8   7.043  -4.600  -8.311
   38    HA   LYS   8           HA       LYS   8   7.737  -3.721  -5.695
   39   1HB   LYS   8           HB2      LYS   8   6.318  -2.657  -7.779
   40   2HB   LYS   8           HB1      LYS   8   5.025  -3.014  -6.635
   41   1HG   LYS   8           HG2      LYS   8   6.307  -1.804  -4.867
   42   2HG   LYS   8           HG1      LYS   8   7.507  -1.365  -6.083
   43   1HD   LYS   8           HD2      LYS   8   6.137   0.508  -6.154
   44   2HD   LYS   8           HD1      LYS   8   5.385  -0.490  -7.399
   45   1HE   LYS   8           HE2      LYS   8   4.221  -1.336  -4.987
   46   2HE   LYS   8           HE1      LYS   8   4.277   0.424  -4.879
   47   1HZ   LYS   8           HZ1      LYS   8   3.474   0.056  -7.408
   48   2HZ   LYS   8           HZ3      LYS   8   2.737  -1.268  -6.645
   49   3HZ   LYS   8           HZ2      LYS   8   2.421   0.310  -6.098
   50    H    ALA   9           HN       ALA   9   5.689  -6.256  -6.713
   51    HA   ALA   9           HA       ALA   9   3.742  -6.266  -4.632
   52   1HB   ALA   9           HB2      ALA   9   4.777  -8.184  -6.627
   53   2HB   ALA   9           HB1      ALA   9   4.097  -8.922  -5.177
   54   3HB   ALA   9           HB3      ALA   9   3.113  -7.835  -6.158
   55    H    ALA  10           HN       ALA  10   6.555  -8.499  -4.839
   56    HA   ALA  10           HA       ALA  10   6.403  -9.135  -2.035
   57   1HB   ALA  10           HB3      ALA  10   7.507 -10.525  -3.872
   58   2HB   ALA  10           HB2      ALA  10   8.879  -9.427  -3.732
   59   3HB   ALA  10           HB1      ALA  10   8.384 -10.401  -2.347
   60    H    PHE  11           HN       PHE  11   8.531  -6.909  -3.870
   61    HA   PHE  11           HA       PHE  11  10.282  -6.144  -1.855
   62   1HB   PHE  11           HB2      PHE  11   9.755  -5.143  -4.315
   63   2HB   PHE  11           HB1      PHE  11   9.055  -3.868  -3.314
   64    HD1  PHE  11           HD2      PHE  11  12.142  -5.926  -3.754
   65    HD2  PHE  11           HD1      PHE  11  10.438  -2.289  -2.234
   66    HE1  PHE  11           HE2      PHE  11  14.412  -5.086  -3.226
   67    HE2  PHE  11           HE1      PHE  11  12.709  -1.448  -1.702
   68    HZ   PHE  11           HZ       PHE  11  14.698  -2.845  -2.199
   69    H    ASP  12           HN       ASP  12   6.922  -5.046  -2.289
   70    HA   ASP  12           HA       ASP  12   6.951  -3.312   0.026
   71   1HB   ASP  12           HB2      ASP  12   5.256  -3.399  -1.966
   72   2HB   ASP  12           HB1      ASP  12   4.466  -4.662  -1.019
   73    H    SER  13           HN       SER  13   6.113  -6.700  -0.553
   74    HA   SER  13           HA       SER  13   5.149  -7.161   2.155
   75   1HB   SER  13           HB2      SER  13   5.091  -8.558  -0.273
   76   2HB   SER  13           HB1      SER  13   6.079  -9.552   0.792
   77    HG   SER  13           HG       SER  13   3.618  -8.423   1.618
   78    H    LEU  14           HN       LEU  14   7.859  -8.926   0.585
   79    HA   LEU  14           HA       LEU  14   9.170  -9.744   2.884
   80   1HB   LEU  14           HB2      LEU  14  11.280  -9.771   1.586
   81   2HB   LEU  14           HB1      LEU  14   9.933 -10.405   0.643
   82    HG   LEU  14           HG       LEU  14   9.797  -7.768   0.001
   83   1HD1  LEU  14          HD13      LEU  14  12.110  -7.785   1.393
   84   2HD1  LEU  14          HD12      LEU  14  12.726  -8.204  -0.206
   85   3HD1  LEU  14          HD11      LEU  14  11.826  -6.705   0.029
   86   1HD2  LEU  14          HD21      LEU  14  10.763 -10.237  -1.195
   87   2HD2  LEU  14          HD23      LEU  14   9.867  -8.916  -1.946
   88   3HD2  LEU  14          HD22      LEU  14  11.626  -8.839  -1.836
   89    H    GLN  15           HN       GLN  15   9.499  -6.526   1.360
   90    HA   GLN  15           HA       GLN  15  11.466  -5.654   3.317
   91   1HB   GLN  15           HB2      GLN  15  11.070  -4.663   0.968
   92   2HB   GLN  15           HB1      GLN  15   9.701  -3.817   1.695
   93   1HG   GLN  15           HG2      GLN  15  11.208  -2.228   2.286
   94   2HG   GLN  15           HG1      GLN  15  11.726  -3.372   3.525
   95   1HE2  GLN  15          HE22      GLN  15  14.948  -3.295   2.079
   96   2HE2  GLN  15          HE21      GLN  15  14.008  -3.054   3.474
   97    H    ALA  16           HN       ALA  16   7.959  -5.332   2.928
   98    HA   ALA  16           HA       ALA  16   7.362  -3.577   4.991
   99   1HB   ALA  16           HB1      ALA  16   5.955  -5.876   3.784
  100   2HB   ALA  16           HB3      ALA  16   5.345  -5.289   5.332
  101   3HB   ALA  16           HB2      ALA  16   5.421  -4.203   3.944
  102    H    SER  17           HN       SER  17   6.775  -6.880   5.548
  103    HA   SER  17           HA       SER  17   7.588  -6.610   8.353
  104   1HB   SER  17           HB2      SER  17   5.734  -8.181   7.132
  105   2HB   SER  17           HB1      SER  17   7.077  -9.315   7.238
  106    HG   SER  17           HG       SER  17   6.999  -9.221   9.387
  107    H    ALA  18           HN       ALA  18   9.885  -6.017   7.681
  108    HA   ALA  18           HA       ALA  18  11.420  -8.459   6.852
  109   1HB   ALA  18           HB2      ALA  18  11.711  -5.573   6.352
  110   2HB   ALA  18           HB1      ALA  18  13.218  -6.391   6.765
  111   3HB   ALA  18           HB3      ALA  18  12.262  -6.945   5.392
  112    H    THR  19           HN       THR  19  12.853  -5.724   8.480
  113    HA   THR  19           HA       THR  19  12.869  -6.634  11.158
  114    HB   THR  19           HB       THR  19  13.997  -8.637  10.537
  115    HG1  THR  19           HG1      THR  19  15.539  -8.348  11.916
  116   1HG2  THR  19          HG21      THR  19  14.637  -7.452   8.237
  117   2HG2  THR  19          HG23      THR  19  16.176  -7.221   9.064
  118   3HG2  THR  19          HG22      THR  19  15.537  -8.848   8.829
  119    H    GLU  20           HN       GLU  20  15.226  -5.471   8.711
  120    HA   GLU  20           HA       GLU  20  16.676  -3.673  10.289
  121   1HB   GLU  20           HB2      GLU  20  17.304  -4.119   7.985
  122   2HB   GLU  20           HB1      GLU  20  15.797  -3.398   7.421
  123   1HG   GLU  20           HG2      GLU  20  17.149  -1.570   7.162
  124   2HG   GLU  20           HG1      GLU  20  16.734  -1.333   8.865
  125    H    TYR  21           HN       TYR  21  14.828  -1.906   8.088
  126    HA   TYR  21           HA       TYR  21  13.684  -0.360  10.267
  127   1HB   TYR  21           HB2      TYR  21  12.849   0.914   8.131
  128   2HB   TYR  21           HB1      TYR  21  14.473   1.158   8.691
  129    HD1  TYR  21           HD2      TYR  21  12.352  -0.727   6.290
  130    HD2  TYR  21           HD1      TYR  21  16.320   0.553   7.314
  131    HE1  TYR  21           HE2      TYR  21  13.171  -1.517   4.090
  132    HE2  TYR  21           HE1      TYR  21  17.142  -0.238   5.111
  133    HH   TYR  21           HH       TYR  21  15.632  -0.633   2.619
  134    H    ILE  22           HN       ILE  22  12.933  -3.160   9.029
  135    HA   ILE  22           HA       ILE  22  11.050  -4.390   8.506
  136    HB   ILE  22           HB       ILE  22  10.616  -3.662  10.876
  137   1HG1  ILE  22          HG12      ILE  22   7.943  -3.742   9.589
  138   2HG1  ILE  22          HG11      ILE  22   9.051  -5.040   9.149
  139   1HG2  ILE  22          HG21      ILE  22   9.259  -1.442   9.393
  140   2HG2  ILE  22          HG23      ILE  22   8.597  -1.988  10.933
  141   3HG2  ILE  22          HG22      ILE  22  10.248  -1.370  10.851
  142   1HD1  ILE  22          HD11      ILE  22   8.507  -4.250  12.021
  143   2HD1  ILE  22          HD13      ILE  22   7.603  -5.512  11.185
  144   3HD1  ILE  22          HD12      ILE  22   9.339  -5.693  11.442
  145    H    GLY  23           HN       GLY  23  11.734  -2.507   6.529
  146   1HA   GLY  23           HA2      GLY  23  10.803  -1.174   4.787
  147   2HA   GLY  23           HA1      GLY  23   9.683  -2.534   4.725
  148    H    TYR  24           HN       TYR  24   9.872  -0.420   7.477
  149    HA   TYR  24           HA       TYR  24   8.156   0.656   8.586
  150   1HB   TYR  24           HB2      TYR  24   9.314   2.208   6.804
  151   2HB   TYR  24           HB1      TYR  24   7.719   2.139   6.040
  152    HD1  TYR  24           HD1      TYR  24   5.758   2.824   7.228
  153    HD2  TYR  24           HD2      TYR  24   9.633   3.296   8.937
  154    HE1  TYR  24           HE1      TYR  24   4.803   4.366   8.917
  155    HE2  TYR  24           HE2      TYR  24   8.706   4.838  10.639
  156    HH   TYR  24           HH       TYR  24   5.243   5.346  10.965
  157    H    ALA  25           HN       ALA  25   7.129  -1.689   7.851
  158    HA   ALA  25           HA       ALA  25   4.452  -0.982   6.734
  159   1HB   ALA  25           HB2      ALA  25   5.967  -3.604   6.520
  160   2HB   ALA  25           HB1      ALA  25   4.334  -3.326   5.919
  161   3HB   ALA  25           HB3      ALA  25   5.694  -2.462   5.206
  162    H    TRP  26           HN       TRP  26   6.328  -2.731   9.128
  163    HA   TRP  26           HA       TRP  26   4.593  -4.358  10.443
  164   1HB   TRP  26           HB2      TRP  26   5.975  -4.146  12.265
  165   2HB   TRP  26           HB1      TRP  26   6.968  -3.310  11.086
  166    HD1  TRP  26           HD1      TRP  26   5.684  -2.892  14.413
  167    HE1  TRP  26           HE1      TRP  26   5.747  -0.454  15.167
  168    HE3  TRP  26           HE3      TRP  26   6.352  -0.545   9.904
  169    HZ2  TRP  26           HZ2      TRP  26   6.025   2.147  14.060
  170    HZ3  TRP  26           HZ3      TRP  26   6.513   1.913   9.814
  171    HH2  TRP  26           HH2      TRP  26   6.345   3.267  11.877
  172    H    ALA  27           HN       ALA  27   4.231  -0.873  10.243
  173    HA   ALA  27           HA       ALA  27   1.700  -1.171  11.777
  174   1HB   ALA  27           HB2      ALA  27   3.630   0.060  12.976
  175   2HB   ALA  27           HB1      ALA  27   3.335   1.358  11.819
  176   3HB   ALA  27           HB3      ALA  27   2.058   0.859  12.927
  177    H    MET  28           HN       MET  28   3.313   1.353   9.850
  178    HA   MET  28           HA       MET  28   1.071   2.530   8.799
  179   1HB   MET  28           HB2      MET  28   3.755   2.902   8.535
  180   2HB   MET  28           HB1      MET  28   3.306   2.370   6.916
  181   1HG   MET  28           HG2      MET  28   1.288   4.157   7.599
  182   2HG   MET  28           HG1      MET  28   2.746   4.906   8.248
  183   1HE   MET  28           HE3      MET  28   3.749   6.305   7.394
  184   2HE   MET  28           HE2      MET  28   4.632   6.295   5.871
  185   3HE   MET  28           HE1      MET  28   3.059   7.082   5.961
  186    H    VAL  29           HN       VAL  29   2.281  -0.599   8.045
  187    HA   VAL  29           HA       VAL  29   1.386  -0.756   5.320
  188    HB   VAL  29           HB       VAL  29   2.928  -2.373   6.620
  189   1HG1  VAL  29          HG12      VAL  29   1.298  -2.825   8.453
  190   2HG1  VAL  29          HG11      VAL  29   0.226  -3.591   7.283
  191   3HG1  VAL  29          HG13      VAL  29   1.802  -4.301   7.633
  192   1HG2  VAL  29          HG21      VAL  29   1.441  -2.604   4.303
  193   2HG2  VAL  29          HG23      VAL  29   2.703  -3.725   4.811
  194   3HG2  VAL  29          HG22      VAL  29   1.014  -4.075   5.177
  195    H    VAL  30           HN       VAL  30  -0.196  -1.714   8.385
  196    HA   VAL  30           HA       VAL  30  -2.666  -2.430   7.013
  197    HB   VAL  30           HB       VAL  30  -1.865  -3.392   9.229
  198   1HG1  VAL  30          HG11      VAL  30  -1.215  -1.232  10.248
  199   2HG1  VAL  30          HG13      VAL  30  -2.904  -0.724  10.233
  200   3HG1  VAL  30          HG12      VAL  30  -2.400  -2.079  11.243
  201   1HG2  VAL  30          HG23      VAL  30  -4.449  -2.834   8.255
  202   2HG2  VAL  30          HG22      VAL  30  -4.012  -4.050   9.455
  203   3HG2  VAL  30          HG21      VAL  30  -4.501  -2.437   9.972
  204    H    VAL  31           HN       VAL  31  -1.543   0.349   8.940
  205    HA   VAL  31           HA       VAL  31  -3.973   1.787   9.051
  206    HB   VAL  31           HB       VAL  31  -1.130   2.809   8.784
  207   1HG1  VAL  31          HG11      VAL  31  -3.692   4.194   8.769
  208   2HG1  VAL  31          HG13      VAL  31  -2.698   4.688  10.139
  209   3HG1  VAL  31          HG12      VAL  31  -2.074   4.839   8.496
  210   1HG2  VAL  31          HG22      VAL  31  -2.975   2.241  11.117
  211   2HG2  VAL  31          HG21      VAL  31  -1.396   1.525  10.793
  212   3HG2  VAL  31          HG23      VAL  31  -1.515   3.218  11.270
  213    H    ILE  32           HN       ILE  32  -1.435   1.922   6.525
  214    HA   ILE  32           HA       ILE  32  -2.830   3.784   4.892
  215    HB   ILE  32           HB       ILE  32  -0.516   3.365   4.575
  216   1HG1  ILE  32          HG12      ILE  32  -0.587   2.757   2.051
  217   2HG1  ILE  32          HG11      ILE  32  -2.333   2.703   2.298
  218   1HG2  ILE  32          HG21      ILE  32  -0.890   0.816   5.093
  219   2HG2  ILE  32          HG23      ILE  32  -1.004   0.712   3.336
  220   3HG2  ILE  32          HG22      ILE  32   0.465   1.332   4.090
  221   1HD1  ILE  32          HD13      ILE  32  -1.905   5.039   3.476
  222   2HD1  ILE  32          HD12      ILE  32  -0.468   5.040   2.453
  223   3HD1  ILE  32          HD11      ILE  32  -2.070   4.934   1.724
  224    H    VAL  33           HN       VAL  33  -2.593   0.205   4.540
  225    HA   VAL  33           HA       VAL  33  -4.295   0.009   2.339
  226    HB   VAL  33           HB       VAL  33  -4.106  -1.798   4.773
  227   1HG1  VAL  33          HG13      VAL  33  -5.470  -2.279   2.105
  228   2HG1  VAL  33          HG12      VAL  33  -5.214  -3.504   3.347
  229   3HG1  VAL  33          HG11      VAL  33  -6.274  -2.132   3.668
  230   1HG2  VAL  33          HG21      VAL  33  -2.940  -1.929   1.971
  231   2HG2  VAL  33          HG23      VAL  33  -2.046  -1.637   3.464
  232   3HG2  VAL  33          HG22      VAL  33  -2.792  -3.209   3.176
  233    H    GLY  34           HN       GLY  34  -5.016   0.978   5.580
  234   1HA   GLY  34           HA2      GLY  34  -7.888   0.578   5.406
  235   2HA   GLY  34           HA1      GLY  34  -7.068   1.700   6.506
  236    H    ALA  35           HN       ALA  35  -5.714   3.348   4.912
  237    HA   ALA  35           HA       ALA  35  -7.725   5.084   3.817
  238   1HB   ALA  35           HB2      ALA  35  -4.901   5.189   4.374
  239   2HB   ALA  35           HB1      ALA  35  -5.203   5.809   2.751
  240   3HB   ALA  35           HB3      ALA  35  -6.028   6.525   4.136
  241    H    THR  36           HN       THR  36  -5.105   3.175   2.129
  242    HA   THR  36           HA       THR  36  -5.823   3.852  -0.488
  243    HB   THR  36           HB       THR  36  -4.919   1.124   0.480
  244    HG1  THR  36           HG1      THR  36  -3.223   3.062  -0.597
  245   1HG2  THR  36          HG23      THR  36  -5.488   2.254  -2.137
  246   2HG2  THR  36          HG22      THR  36  -3.809   1.728  -2.011
  247   3HG2  THR  36          HG21      THR  36  -5.117   0.587  -1.697
  248    H    ILE  37           HN       ILE  37  -6.896   0.892   1.199
  249    HA   ILE  37           HA       ILE  37  -8.892   0.181  -0.705
  250    HB   ILE  37           HB       ILE  37  -8.697  -0.379   2.258
  251   1HG1  ILE  37          HG12      ILE  37  -7.909  -1.916  -0.238
  252   2HG1  ILE  37          HG11      ILE  37  -6.834  -1.307   1.021
  253   1HG2  ILE  37          HG22      ILE  37 -10.488  -1.598   0.132
  254   2HG2  ILE  37          HG21      ILE  37 -10.281  -2.250   1.758
  255   3HG2  ILE  37          HG23      ILE  37 -11.011  -0.660   1.531
  256   1HD1  ILE  37          HD13      ILE  37  -9.020  -3.345   1.516
  257   2HD1  ILE  37          HD12      ILE  37  -7.335  -3.767   1.213
  258   3HD1  ILE  37          HD11      ILE  37  -7.766  -2.836   2.646
  259    H    GLY  38           HN       GLY  38  -8.899   2.641   1.700
  260   1HA   GLY  38           HA2      GLY  38 -11.787   2.814   2.016
  261   2HA   GLY  38           HA1      GLY  38 -10.615   4.014   2.565
  262    H    ILE  39           HN       ILE  39  -9.573   5.301   0.764
  263    HA   ILE  39           HA       ILE  39 -11.599   6.511  -0.846
  264    HB   ILE  39           HB       ILE  39  -8.587   6.682  -1.135
  265   1HG1  ILE  39          HG12      ILE  39  -9.721   8.956   0.159
  266   2HG1  ILE  39          HG11      ILE  39 -10.318   7.520   0.993
  267   1HG2  ILE  39          HG23      ILE  39 -10.828   7.885  -2.533
  268   2HG2  ILE  39          HG22      ILE  39  -9.842   9.121  -1.750
  269   3HG2  ILE  39          HG21      ILE  39  -9.105   7.998  -2.893
  270   1HD1  ILE  39          HD11      ILE  39  -7.560   7.087   0.431
  271   2HD1  ILE  39          HD13      ILE  39  -7.708   8.697   1.135
  272   3HD1  ILE  39          HD12      ILE  39  -8.324   7.293   2.007
  273    H    LYS  40           HN       LYS  40  -9.896   3.595  -1.194
  274    HA   LYS  40           HA       LYS  40  -9.630   3.645  -4.108
  275   1HB   LYS  40           HB2      LYS  40  -8.194   2.132  -2.901
  276   2HB   LYS  40           HB1      LYS  40  -9.569   1.387  -2.085
  277   1HG   LYS  40           HG2      LYS  40 -10.401   0.762  -4.447
  278   2HG   LYS  40           HG1      LYS  40  -8.775   1.172  -4.991
  279   1HD   LYS  40           HD2      LYS  40  -8.013  -0.402  -3.037
  280   2HD   LYS  40           HD1      LYS  40  -9.652  -1.042  -3.161
  281   1HE   LYS  40           HE2      LYS  40  -8.882  -0.930  -5.801
  282   2HE   LYS  40           HE1      LYS  40  -7.374  -1.361  -4.995
  283   1HZ   LYS  40           HZ3      LYS  40  -9.377  -2.867  -3.812
  284   2HZ   LYS  40           HZ2      LYS  40  -9.637  -2.973  -5.487
  285   3HZ   LYS  40           HZ1      LYS  40  -8.136  -3.418  -4.826
  286    H    LEU  41           HN       LEU  41 -11.810   1.793  -1.931
  287    HA   LEU  41           HA       LEU  41 -13.569   1.070  -4.117
  288   1HB   LEU  41           HB2      LEU  41 -13.528   0.725  -1.169
  289   2HB   LEU  41           HB1      LEU  41 -15.125   0.721  -1.920
  290    HG   LEU  41           HG       LEU  41 -13.052  -0.871  -3.317
  291   1HD1  LEU  41          HD13      LEU  41 -12.813  -1.181  -0.721
  292   2HD1  LEU  41          HD12      LEU  41 -14.324  -2.076  -0.874
  293   3HD1  LEU  41          HD11      LEU  41 -12.893  -2.606  -1.757
  294   1HD2  LEU  41          HD22      LEU  41 -15.940  -0.713  -3.011
  295   2HD2  LEU  41          HD21      LEU  41 -14.998  -1.516  -4.267
  296   3HD2  LEU  41          HD23      LEU  41 -15.369  -2.365  -2.765
  297    H    PHE  42           HN       PHE  42 -13.570   3.641  -1.676
  298    HA   PHE  42           HA       PHE  42 -16.212   4.619  -2.284
  299   1HB   PHE  42           HB2      PHE  42 -14.226   5.231  -0.416
  300   2HB   PHE  42           HB1      PHE  42 -14.355   6.688  -1.404
  301    HD1  PHE  42           HD2      PHE  42 -17.117   6.848  -2.183
  302    HD2  PHE  42           HD1      PHE  42 -15.452   5.528   1.553
  303    HE1  PHE  42           HE2      PHE  42 -19.233   7.443  -1.031
  304    HE2  PHE  42           HE1      PHE  42 -17.568   6.123   2.705
  305    HZ   PHE  42           HZ       PHE  42 -19.459   7.080   1.413
  306    H    LYS  43           HN       LYS  43 -12.961   5.624  -3.371
  307    HA   LYS  43           HA       LYS  43 -13.722   7.768  -5.031
  308   1HB   LYS  43           HB2      LYS  43 -11.372   7.238  -4.598
  309   2HB   LYS  43           HB1      LYS  43 -11.532   5.716  -5.476
  310   1HG   LYS  43           HG2      LYS  43 -10.778   6.946  -7.242
  311   2HG   LYS  43           HG1      LYS  43 -12.461   7.466  -7.342
  312   1HD   LYS  43           HD2      LYS  43 -11.652   9.567  -7.115
  313   2HD   LYS  43           HD1      LYS  43 -11.427   9.152  -5.415
  314   1HE   LYS  43           HE2      LYS  43  -9.157   8.140  -6.214
  315   2HE   LYS  43           HE1      LYS  43  -9.399   9.152  -7.639
  316   1HZ   LYS  43           HZ3      LYS  43  -9.406  10.106  -4.828
  317   2HZ   LYS  43           HZ2      LYS  43  -8.126  10.296  -5.929
  318   3HZ   LYS  43           HZ1      LYS  43  -9.612  11.073  -6.205
  319    H    LYS  44           HN       LYS  44 -13.408   4.311  -5.906
  320    HA   LYS  44           HA       LYS  44 -14.391   4.651  -8.583
  321   1HB   LYS  44           HB2      LYS  44 -13.816   2.396  -6.758
  322   2HB   LYS  44           HB1      LYS  44 -15.079   2.076  -7.947
  323   1HG   LYS  44           HG2      LYS  44 -13.502   2.959  -9.720
  324   2HG   LYS  44           HG1      LYS  44 -12.241   2.981  -8.488
  325   1HD   LYS  44           HD2      LYS  44 -12.246   0.642  -8.258
  326   2HD   LYS  44           HD1      LYS  44 -13.848   0.481  -8.979
  327   1HE   LYS  44           HE2      LYS  44 -11.633   1.640 -10.634
  328   2HE   LYS  44           HE1      LYS  44 -11.685  -0.105 -10.386
  329   1HZ   LYS  44           HZ1      LYS  44 -14.187   1.197 -11.113
  330   2HZ   LYS  44           HZ3      LYS  44 -13.005   1.096 -12.325
  331   3HZ   LYS  44           HZ2      LYS  44 -13.574  -0.319 -11.577
  332    H    PHE  45           HN       PHE  45 -15.898   4.456  -5.476
  333    HA   PHE  45           HA       PHE  45 -18.575   3.963  -6.640
  334   1HB   PHE  45           HB2      PHE  45 -17.556   3.120  -4.314
  335   2HB   PHE  45           HB1      PHE  45 -18.196   4.667  -3.762
  336    HD1  PHE  45           HD1      PHE  45 -19.323   1.969  -6.128
  337    HD2  PHE  45           HD2      PHE  45 -20.311   4.529  -2.823
  338    HE1  PHE  45           HE1      PHE  45 -21.609   1.006  -6.066
  339    HE2  PHE  45           HE2      PHE  45 -22.595   3.568  -2.760
  340    HZ   PHE  45           HZ       PHE  45 -23.245   1.806  -4.381
  341    H    THR  46           HN       THR  46 -16.944   6.468  -7.101
  342    HA   THR  46           HA       THR  46 -18.990   8.328  -7.113
  343    HB   THR  46           HB       THR  46 -17.321   9.625  -5.202
  344    HG1  THR  46           HG1      THR  46 -18.374   7.874  -3.588
  345   1HG2  THR  46          HG23      THR  46 -20.011   9.439  -5.881
  346   2HG2  THR  46          HG22      THR  46 -19.941   8.778  -4.248
  347   3HG2  THR  46          HG21      THR  46 -19.338  10.404  -4.568
  348    H    SER  47           HN       SER  47 -16.937   7.479  -8.848
  349    HA   SER  47           HA       SER  47 -15.870  10.055  -9.645
  350   1HB   SER  47           HB2      SER  47 -14.321   8.708  -7.778
  351   2HB   SER  47           HB1      SER  47 -13.582   8.258  -9.311
  352    HG   SER  47           HG       SER  47 -14.219  10.910  -8.495
  353    H    LYS  48           HN       LYS  48 -14.585   6.736 -10.027
  354    HA   LYS  48           HA       LYS  48 -14.714   7.062 -12.950
  355   1HB   LYS  48           HB2      LYS  48 -13.709   4.840 -11.152
  356   2HB   LYS  48           HB1      LYS  48 -13.710   4.729 -12.913
  357   1HG   LYS  48           HG2      LYS  48 -12.517   7.106 -12.697
  358   2HG   LYS  48           HG1      LYS  48 -12.054   6.456 -11.125
  359   1HD   LYS  48           HD2      LYS  48 -11.725   4.479 -13.238
  360   2HD   LYS  48           HD1      LYS  48 -10.786   5.939 -13.558
  361   1HE   LYS  48           HE2      LYS  48  -9.907   5.796 -11.199
  362   2HE   LYS  48           HE1      LYS  48 -10.701   4.227 -11.060
  363   1HZ   LYS  48           HZ3      LYS  48  -9.413   3.800 -13.282
  364   2HZ   LYS  48           HZ2      LYS  48  -8.385   5.008 -12.673
  365   3HZ   LYS  48           HZ1      LYS  48  -8.655   3.588 -11.781
  366    H    ALA  49           HN       ALA  49 -16.724   5.865 -10.477
  367    HA   ALA  49           HA       ALA  49 -18.359   4.424 -12.524
  368   1HB   ALA  49           HB3      ALA  49 -17.161   3.290 -10.269
  369   2HB   ALA  49           HB2      ALA  49 -18.839   3.543  -9.788
  370   3HB   ALA  49           HB1      ALA  49 -18.466   2.583 -11.221
  371    H    SER  50           HN       SER  50 -18.945   5.311  -9.119
  372    HA   SER  50           HA       SER  50 -20.791   6.436  -8.187
  373   1HB   SER  50           HB2      SER  50 -21.254   8.532  -9.928
  374   2HB   SER  50           HB1      SER  50 -20.080   8.543  -8.616
  375    HG   SER  50           HG       SER  50 -18.664   8.745 -10.155
   
  No H/Q in entry =         375
  Start of MODEL    5
    1   1H    ALA   1           HT2      ALA   1  19.540   1.889 -15.986
    2   2H    ALA   1           HT1      ALA   1  19.270   3.245 -14.999
    3   3H    ALA   1           HT3      ALA   1  20.160   3.406 -16.434
    4    HA   ALA   1           HA       ALA   1  22.048   2.550 -15.560
    5   1HB   ALA   1           HB2      ALA   1  20.410   3.812 -13.401
    6   2HB   ALA   1           HB1      ALA   1  21.928   3.040 -12.944
    7   3HB   ALA   1           HB3      ALA   1  21.926   4.355 -14.120
    8    H    GLU   2           HN       GLU   2  20.011   1.686 -12.777
    9    HA   GLU   2           HA       GLU   2  19.753  -0.369 -11.674
   10   1HB   GLU   2           HB2      GLU   2  19.155  -0.839 -14.311
   11   2HB   GLU   2           HB1      GLU   2  20.448  -2.005 -14.030
   12   1HG   GLU   2           HG2      GLU   2  18.919  -3.339 -13.050
   13   2HG   GLU   2           HG1      GLU   2  18.826  -2.158 -11.744
   14    H    GLY   3           HN       GLY   3  21.106  -2.794 -11.987
   15   1HA   GLY   3           HA2      GLY   3  23.962  -2.370 -12.308
   16   2HA   GLY   3           HA1      GLY   3  23.490  -2.453 -10.610
   17    H    ASP   4           HN       ASP   4  22.029  -4.233 -13.306
   18    HA   ASP   4           HA       ASP   4  21.685  -6.547 -13.543
   19   1HB   ASP   4           HB2      ASP   4  24.281  -6.129 -13.846
   20   2HB   ASP   4           HB1      ASP   4  24.385  -7.000 -12.315
   21    H    ASP   5           HN       ASP   5  20.087  -6.965 -11.972
   22    HA   ASP   5           HA       ASP   5  20.998  -8.465  -9.631
   23   1HB   ASP   5           HB2      ASP   5  20.346  -5.666  -9.393
   24   2HB   ASP   5           HB1      ASP   5  19.170  -6.631  -8.498
   25    HA   PRO   6           HA       PRO   6  17.030 -10.009 -11.150
   26   1HB   PRO   6           HB2      PRO   6  17.576 -12.630 -10.513
   27   2HB   PRO   6           HB1      PRO   6  18.086 -11.864 -12.029
   28   1HG   PRO   6           HG2      PRO   6  19.738 -12.556  -9.633
   29   2HG   PRO   6           HG1      PRO   6  20.235 -12.389 -11.327
   30   1HD   PRO   6           HD2      PRO   6  20.626 -10.455  -9.288
   31   2HD   PRO   6           HD1      PRO   6  20.811 -10.185 -11.032
   32    H    ALA   7           HN       ALA   7  16.409  -8.731  -9.087
   33    HA   ALA   7           HA       ALA   7  14.843 -10.285  -7.350
   34   1HB   ALA   7           HB1      ALA   7  17.529 -10.634  -6.732
   35   2HB   ALA   7           HB3      ALA   7  16.989  -9.426  -5.566
   36   3HB   ALA   7           HB2      ALA   7  16.170 -10.984  -5.664
   37    H    LYS   8           HN       LYS   8  16.699  -7.350  -7.880
   38    HA   LYS   8           HA       LYS   8  15.953  -5.603  -5.906
   39   1HB   LYS   8           HB2      LYS   8  16.578  -5.364  -8.716
   40   2HB   LYS   8           HB1      LYS   8  15.326  -4.202  -8.278
   41   1HG   LYS   8           HG2      LYS   8  16.686  -3.285  -6.514
   42   2HG   LYS   8           HG1      LYS   8  17.879  -4.571  -6.696
   43   1HD   LYS   8           HD2      LYS   8  18.348  -3.780  -9.005
   44   2HD   LYS   8           HD1      LYS   8  17.209  -2.454  -8.760
   45   1HE   LYS   8           HE2      LYS   8  18.819  -1.245  -7.758
   46   2HE   LYS   8           HE1      LYS   8  19.014  -2.505  -6.539
   47   1HZ   LYS   8           HZ3      LYS   8  20.372  -3.689  -8.325
   48   2HZ   LYS   8           HZ2      LYS   8  20.443  -2.179  -9.102
   49   3HZ   LYS   8           HZ1      LYS   8  21.086  -2.366  -7.541
   50    H    ALA   9           HN       ALA   9  13.815  -6.978  -8.351
   51    HA   ALA   9           HA       ALA   9  11.553  -5.332  -8.051
   52   1HB   ALA   9           HB2      ALA   9  11.737  -8.330  -8.454
   53   2HB   ALA   9           HB1      ALA   9  10.226  -7.427  -8.562
   54   3HB   ALA   9           HB3      ALA   9  11.534  -7.095  -9.698
   55    H    ALA  10           HN       ALA  10  12.088  -8.410  -6.284
   56    HA   ALA  10           HA       ALA  10  10.022  -7.939  -4.367
   57   1HB   ALA  10           HB1      ALA  10  12.411  -9.743  -4.508
   58   2HB   ALA  10           HB3      ALA  10  11.580  -9.562  -2.963
   59   3HB   ALA  10           HB2      ALA  10  10.702 -10.158  -4.372
   60    H    PHE  11           HN       PHE  11  13.453  -7.041  -4.420
   61    HA   PHE  11           HA       PHE  11  13.934  -6.299  -1.804
   62   1HB   PHE  11           HB2      PHE  11  15.153  -5.740  -4.206
   63   2HB   PHE  11           HB1      PHE  11  14.615  -4.141  -3.692
   64    HD1  PHE  11           HD1      PHE  11  15.163  -3.406  -1.280
   65    HD2  PHE  11           HD2      PHE  11  17.063  -6.729  -3.233
   66    HE1  PHE  11           HE1      PHE  11  17.028  -3.302   0.353
   67    HE2  PHE  11           HE2      PHE  11  18.925  -6.624  -1.600
   68    HZ   PHE  11           HZ       PHE  11  18.908  -4.910   0.192
   69    H    ASP  12           HN       ASP  12  12.248  -4.280  -4.222
   70    HA   ASP  12           HA       ASP  12  11.462  -2.297  -2.255
   71   1HB   ASP  12           HB2      ASP  12  10.028  -1.413  -4.055
   72   2HB   ASP  12           HB1      ASP  12  11.646  -1.762  -4.664
   73    H    SER  13           HN       SER  13  10.032  -5.257  -3.529
   74    HA   SER  13           HA       SER  13   7.378  -4.792  -2.463
   75   1HB   SER  13           HB2      SER  13   8.607  -6.743  -4.064
   76   2HB   SER  13           HB1      SER  13   8.088  -7.605  -2.619
   77    HG   SER  13           HG       SER  13   6.534  -5.988  -4.362
   78    H    LEU  14           HN       LEU  14   9.560  -7.411  -1.402
   79    HA   LEU  14           HA       LEU  14   8.458  -7.849   1.116
   80   1HB   LEU  14           HB2      LEU  14  11.420  -7.840   1.219
   81   2HB   LEU  14           HB1      LEU  14  10.291  -9.138   1.592
   82    HG   LEU  14           HG       LEU  14  11.198  -8.268  -1.156
   83   1HD1  LEU  14          HD12      LEU  14  11.617 -10.814   0.431
   84   2HD1  LEU  14          HD11      LEU  14  12.134 -10.565  -1.237
   85   3HD1  LEU  14          HD13      LEU  14  12.849  -9.608   0.061
   86   1HD2  LEU  14          HD21      LEU  14   8.769  -9.535  -0.334
   87   2HD2  LEU  14          HD23      LEU  14   9.337  -9.248  -1.978
   88   3HD2  LEU  14          HD22      LEU  14   9.760 -10.745  -1.148
   89    H    GLN  15           HN       GLN  15  11.194  -5.618   0.449
   90    HA   GLN  15           HA       GLN  15  11.430  -4.489   2.999
   91   1HB   GLN  15           HB2      GLN  15  11.632  -3.155   0.287
   92   2HB   GLN  15           HB1      GLN  15  12.031  -2.327   1.788
   93   1HG   GLN  15           HG2      GLN  15  13.280  -4.967   1.611
   94   2HG   GLN  15           HG1      GLN  15  13.780  -3.895   0.305
   95   1HE2  GLN  15          HE22      GLN  15  14.654  -2.784   4.172
   96   2HE2  GLN  15          HE21      GLN  15  13.325  -3.802   3.888
   97    H    ALA  16           HN       ALA  16   9.217  -3.424   0.398
   98    HA   ALA  16           HA       ALA  16   7.845  -1.448   1.791
   99   1HB   ALA  16           HB2      ALA  16   6.805  -3.457  -0.184
  100   2HB   ALA  16           HB1      ALA  16   5.847  -2.099   0.403
  101   3HB   ALA  16           HB3      ALA  16   7.318  -1.806  -0.524
  102    H    SER  17           HN       SER  17   6.085  -4.316   1.310
  103    HA   SER  17           HA       SER  17   5.042  -4.185   4.048
  104   1HB   SER  17           HB2      SER  17   4.235  -6.607   2.834
  105   2HB   SER  17           HB1      SER  17   3.277  -5.140   3.015
  106    HG   SER  17           HG       SER  17   3.745  -4.574   1.000
  107    H    ALA  18           HN       ALA  18   6.923  -4.675   5.364
  108    HA   ALA  18           HA       ALA  18   7.900  -7.492   4.983
  109   1HB   ALA  18           HB3      ALA  18   9.364  -4.974   5.729
  110   2HB   ALA  18           HB2      ALA  18   9.986  -6.545   6.234
  111   3HB   ALA  18           HB1      ALA  18   9.786  -6.185   4.519
  112    H    THR  19           HN       THR  19   8.797  -5.475   7.687
  113    HA   THR  19           HA       THR  19   6.789  -6.329   9.547
  114    HB   THR  19           HB       THR  19   7.536  -8.542   9.527
  115    HG1  THR  19           HG1      THR  19   7.742  -7.969  11.622
  116   1HG2  THR  19          HG21      THR  19   9.459  -7.933   7.951
  117   2HG2  THR  19          HG23      THR  19  10.422  -7.655   9.402
  118   3HG2  THR  19          HG22      THR  19   9.764  -9.258   9.075
  119    H    GLU  20           HN       GLU  20  10.334  -5.804   9.367
  120    HA   GLU  20           HA       GLU  20  10.602  -4.468  11.858
  121   1HB   GLU  20           HB2      GLU  20  12.620  -3.387  10.685
  122   2HB   GLU  20           HB1      GLU  20  12.613  -5.144  10.813
  123   1HG   GLU  20           HG2      GLU  20  11.230  -4.120   8.426
  124   2HG   GLU  20           HG1      GLU  20  12.955  -3.756   8.466
  125    H    TYR  21           HN       TYR  21  11.619  -2.267   9.588
  126    HA   TYR  21           HA       TYR  21   9.723  -0.342  10.461
  127   1HB   TYR  21           HB2      TYR  21  10.837   0.872   8.428
  128   2HB   TYR  21           HB1      TYR  21  11.719   0.700   9.910
  129    HD1  TYR  21           HD1      TYR  21  10.959  -1.775   7.212
  130    HD2  TYR  21           HD2      TYR  21  13.966   0.487   9.276
  131    HE1  TYR  21           HE1      TYR  21  12.721  -2.985   5.966
  132    HE2  TYR  21           HE2      TYR  21  15.730  -0.722   8.031
  133    HH   TYR  21           HH       TYR  21  15.940  -2.974   6.864
  134    H    ILE  22           HN       ILE  22   9.546  -2.945   8.380
  135    HA   ILE  22           HA       ILE  22   8.150  -3.593   6.630
  136    HB   ILE  22           HB       ILE  22   6.508  -3.186   8.441
  137   1HG1  ILE  22          HG12      ILE  22   4.658  -2.383   6.570
  138   2HG1  ILE  22          HG11      ILE  22   5.970  -2.972   5.553
  139   1HG2  ILE  22          HG22      ILE  22   6.546  -0.428   7.234
  140   2HG2  ILE  22          HG21      ILE  22   5.150  -1.019   8.123
  141   3HG2  ILE  22          HG23      ILE  22   6.709  -0.889   8.927
  142   1HD1  ILE  22          HD12      ILE  22   5.848  -4.901   7.511
  143   2HD1  ILE  22          HD11      ILE  22   4.151  -4.465   7.311
  144   3HD1  ILE  22          HD13      ILE  22   5.087  -5.024   5.925
  145    H    GLY  23           HN       GLY  23  10.027  -1.877   5.597
  146   1HA   GLY  23           HA2      GLY  23  10.379  -0.171   3.957
  147   2HA   GLY  23           HA1      GLY  23   9.086  -1.057   3.139
  148    H    TYR  24           HN       TYR  24   8.608   0.520   6.172
  149    HA   TYR  24           HA       TYR  24   6.956   1.997   6.817
  150   1HB   TYR  24           HB2      TYR  24   9.025   3.329   5.710
  151   2HB   TYR  24           HB1      TYR  24   7.696   3.891   4.683
  152    HD1  TYR  24           HD1      TYR  24   8.650   3.342   8.245
  153    HD2  TYR  24           HD2      TYR  24   6.155   5.466   5.476
  154    HE1  TYR  24           HE1      TYR  24   7.767   4.718  10.100
  155    HE2  TYR  24           HE2      TYR  24   5.274   6.852   7.327
  156    HH   TYR  24           HH       TYR  24   6.375   6.346  10.686
  157    H    ALA  25           HN       ALA  25   5.569   0.251   5.617
  158    HA   ALA  25           HA       ALA  25   3.884   1.760   3.651
  159   1HB   ALA  25           HB2      ALA  25   5.048  -0.944   3.503
  160   2HB   ALA  25           HB1      ALA  25   3.319  -0.892   3.160
  161   3HB   ALA  25           HB3      ALA  25   4.436   0.088   2.210
  162    H    TRP  26           HN       TRP  26   3.989  -0.688   6.223
  163    HA   TRP  26           HA       TRP  26   1.310  -1.294   6.565
  164   1HB   TRP  26           HB2      TRP  26   1.897  -2.059   8.640
  165   2HB   TRP  26           HB1      TRP  26   3.513  -1.785   8.015
  166    HD1  TRP  26           HD1      TRP  26   1.668  -1.205  10.971
  167    HE1  TRP  26           HE1      TRP  26   2.520   0.773  12.347
  168    HE3  TRP  26           HE3      TRP  26   4.541   1.168   7.441
  169    HZ2  TRP  26           HZ2      TRP  26   4.185   3.053  12.029
  170    HZ3  TRP  26           HZ3      TRP  26   5.744   3.246   8.038
  171    HH2  TRP  26           HH2      TRP  26   5.565   4.191  10.322
  172    H    ALA  27           HN       ALA  27   2.718   1.853   7.035
  173    HA   ALA  27           HA       ALA  27   0.223   2.801   8.341
  174   1HB   ALA  27           HB2      ALA  27   2.928   4.141   8.052
  175   2HB   ALA  27           HB1      ALA  27   1.531   4.847   8.863
  176   3HB   ALA  27           HB3      ALA  27   2.292   3.397   9.518
  177    H    MET  28           HN       MET  28   2.556   4.189   6.022
  178    HA   MET  28           HA       MET  28   0.735   5.911   4.820
  179   1HB   MET  28           HB2      MET  28   3.349   5.737   4.625
  180   2HB   MET  28           HB1      MET  28   2.966   4.728   3.229
  181   1HG   MET  28           HG2      MET  28   1.441   6.620   2.449
  182   2HG   MET  28           HG1      MET  28   2.194   7.613   3.696
  183   1HE   MET  28           HE2      MET  28   2.859   9.206   2.605
  184   2HE   MET  28           HE1      MET  28   4.525   9.340   2.048
  185   3HE   MET  28           HE3      MET  28   3.208   9.161   0.879
  186    H    VAL  29           HN       VAL  29   1.891   2.746   3.737
  187    HA   VAL  29           HA       VAL  29   0.361   2.455   1.418
  188    HB   VAL  29           HB       VAL  29   2.067   0.833   2.938
  189   1HG1  VAL  29          HG13      VAL  29  -0.693  -0.444   2.788
  190   2HG1  VAL  29          HG12      VAL  29   0.797  -1.339   3.088
  191   3HG1  VAL  29          HG11      VAL  29   0.249  -0.127   4.244
  192   1HG2  VAL  29          HG22      VAL  29   1.555   1.084   0.382
  193   2HG2  VAL  29          HG21      VAL  29   2.173  -0.456   0.979
  194   3HG2  VAL  29          HG23      VAL  29   0.453  -0.269   0.639
  195    H    VAL  30           HN       VAL  30  -0.599   1.479   4.737
  196    HA   VAL  30           HA       VAL  30  -3.264   0.685   3.979
  197    HB   VAL  30           HB       VAL  30  -1.950   1.381   6.610
  198   1HG1  VAL  30          HG12      VAL  30  -4.848   1.092   5.978
  199   2HG1  VAL  30          HG11      VAL  30  -4.263   0.247   7.411
  200   3HG1  VAL  30          HG13      VAL  30  -4.065   1.994   7.275
  201   1HG2  VAL  30          HG22      VAL  30  -3.047  -1.139   5.335
  202   2HG2  VAL  30          HG21      VAL  30  -1.363  -0.778   5.710
  203   3HG2  VAL  30          HG23      VAL  30  -2.517  -1.053   7.014
  204    H    VAL  31           HN       VAL  31  -1.811   3.762   4.686
  205    HA   VAL  31           HA       VAL  31  -4.120   5.217   5.466
  206    HB   VAL  31           HB       VAL  31  -1.657   6.096   3.935
  207   1HG1  VAL  31          HG13      VAL  31  -4.143   7.516   4.677
  208   2HG1  VAL  31          HG12      VAL  31  -2.651   8.343   5.122
  209   3HG1  VAL  31          HG11      VAL  31  -2.950   7.908   3.438
  210   1HG2  VAL  31          HG21      VAL  31  -2.053   5.351   6.611
  211   2HG2  VAL  31          HG23      VAL  31  -0.681   6.252   5.969
  212   3HG2  VAL  31          HG22      VAL  31  -2.067   7.114   6.632
  213    H    ILE  32           HN       ILE  32  -2.653   4.952   2.193
  214    HA   ILE  32           HA       ILE  32  -4.826   6.230   0.877
  215    HB   ILE  32           HB       ILE  32  -2.767   5.933  -0.229
  216   1HG1  ILE  32          HG12      ILE  32  -4.631   4.124  -1.704
  217   2HG1  ILE  32          HG11      ILE  32  -5.002   5.834  -1.494
  218   1HG2  ILE  32          HG22      ILE  32  -2.253   3.713   0.892
  219   2HG2  ILE  32          HG21      ILE  32  -3.247   2.981  -0.365
  220   3HG2  ILE  32          HG23      ILE  32  -1.775   3.851  -0.797
  221   1HD1  ILE  32          HD12      ILE  32  -2.251   5.379  -2.389
  222   2HD1  ILE  32          HD11      ILE  32  -3.449   4.766  -3.528
  223   3HD1  ILE  32          HD13      ILE  32  -3.478   6.462  -3.045
  224    H    VAL  33           HN       VAL  33  -4.151   2.716   1.255
  225    HA   VAL  33           HA       VAL  33  -6.451   1.840  -0.095
  226    HB   VAL  33           HB       VAL  33  -5.471   0.654   2.528
  227   1HG1  VAL  33          HG11      VAL  33  -7.645  -0.105   1.279
  228   2HG1  VAL  33          HG13      VAL  33  -6.521  -0.837   0.133
  229   3HG1  VAL  33          HG12      VAL  33  -6.502  -1.331   1.827
  230   1HG2  VAL  33          HG23      VAL  33  -4.114   0.973  -0.019
  231   2HG2  VAL  33          HG22      VAL  33  -3.497   0.301   1.491
  232   3HG2  VAL  33          HG21      VAL  33  -4.354  -0.735   0.349
  233    H    GLY  34           HN       GLY  34  -6.174   3.572   2.885
  234   1HA   GLY  34           HA2      GLY  34  -8.854   2.955   3.851
  235   2HA   GLY  34           HA1      GLY  34  -7.864   4.336   4.353
  236    H    ALA  35           HN       ALA  35  -7.355   5.602   2.013
  237    HA   ALA  35           HA       ALA  35  -9.779   7.029   1.468
  238   1HB   ALA  35           HB3      ALA  35  -6.975   7.113   0.579
  239   2HB   ALA  35           HB2      ALA  35  -8.130   7.637  -0.646
  240   3HB   ALA  35           HB1      ALA  35  -8.085   8.438   0.925
  241    H    THR  36           HN       THR  36  -7.888   4.716  -0.643
  242    HA   THR  36           HA       THR  36  -9.765   4.780  -2.790
  243    HB   THR  36           HB       THR  36  -8.244   2.294  -2.012
  244    HG1  THR  36           HG1      THR  36  -6.870   3.948  -3.632
  245   1HG2  THR  36          HG21      THR  36  -9.028   3.602  -4.631
  246   2HG2  THR  36          HG23      THR  36  -7.990   2.180  -4.510
  247   3HG2  THR  36          HG22      THR  36  -9.666   2.098  -3.966
  248    H    ILE  37           HN       ILE  37  -9.437   2.138  -0.393
  249    HA   ILE  37           HA       ILE  37 -11.950   0.916  -1.007
  250    HB   ILE  37           HB       ILE  37 -10.421   0.898   1.599
  251   1HG1  ILE  37          HG12      ILE  37  -9.138   0.222  -0.486
  252   2HG1  ILE  37          HG11      ILE  37  -9.277  -1.044   0.734
  253   1HG2  ILE  37          HG21      ILE  37 -12.821  -0.508   0.581
  254   2HG2  ILE  37          HG23      ILE  37 -11.612  -1.549   1.333
  255   3HG2  ILE  37          HG22      ILE  37 -12.313  -0.211   2.244
  256   1HD1  ILE  37          HD11      ILE  37 -11.499  -0.966  -1.209
  257   2HD1  ILE  37          HD13      ILE  37  -9.930  -1.378  -1.902
  258   3HD1  ILE  37          HD12      ILE  37 -10.595  -2.347  -0.587
  259    H    GLY  38           HN       GLY  38 -11.260   3.776   0.666
  260   1HA   GLY  38           HA2      GLY  38 -13.537   3.768   2.467
  261   2HA   GLY  38           HA1      GLY  38 -12.533   5.170   2.080
  262    H    ILE  39           HN       ILE  39 -12.818   5.938  -0.273
  263    HA   ILE  39           HA       ILE  39 -15.524   6.686  -0.681
  264    HB   ILE  39           HB       ILE  39 -13.281   6.559  -2.715
  265   1HG1  ILE  39          HG12      ILE  39 -12.731   7.801  -0.591
  266   2HG1  ILE  39          HG11      ILE  39 -12.727   8.813  -2.036
  267   1HG2  ILE  39          HG23      ILE  39 -15.995   7.821  -2.617
  268   2HG2  ILE  39          HG22      ILE  39 -14.702   8.678  -3.455
  269   3HG2  ILE  39          HG21      ILE  39 -15.166   7.058  -3.974
  270   1HD1  ILE  39          HD12      ILE  39 -15.146   8.524  -0.244
  271   2HD1  ILE  39          HD11      ILE  39 -13.942   9.795  -0.033
  272   3HD1  ILE  39          HD13      ILE  39 -14.886   9.714  -1.520
  273    H    LYS  40           HN       LYS  40 -13.806   3.770  -1.315
  274    HA   LYS  40           HA       LYS  40 -15.405   2.909  -3.607
  275   1HB   LYS  40           HB2      LYS  40 -13.112   2.007  -2.899
  276   2HB   LYS  40           HB1      LYS  40 -13.970   1.096  -1.658
  277   1HG   LYS  40           HG2      LYS  40 -15.391   0.070  -3.423
  278   2HG   LYS  40           HG1      LYS  40 -14.457   0.933  -4.646
  279   1HD   LYS  40           HD2      LYS  40 -12.422  -0.225  -3.979
  280   2HD   LYS  40           HD1      LYS  40 -13.269  -1.007  -2.644
  281   1HE   LYS  40           HE2      LYS  40 -13.728  -2.699  -4.064
  282   2HE   LYS  40           HE1      LYS  40 -14.830  -1.595  -4.886
  283   1HZ   LYS  40           HZ1      LYS  40 -12.731  -0.798  -6.088
  284   2HZ   LYS  40           HZ3      LYS  40 -12.032  -2.249  -5.555
  285   3HZ   LYS  40           HZ2      LYS  40 -13.405  -2.286  -6.556
  286    H    LEU  41           HN       LEU  41 -15.305   1.358  -0.383
  287    HA   LEU  41           HA       LEU  41 -17.796   0.068  -0.574
  288   1HB   LEU  41           HB2      LEU  41 -15.974   0.845   1.620
  289   2HB   LEU  41           HB1      LEU  41 -17.654   0.609   2.103
  290    HG   LEU  41           HG       LEU  41 -16.223  -1.406   0.373
  291   1HD1  LEU  41          HD13      LEU  41 -15.846  -0.819   3.233
  292   2HD1  LEU  41          HD12      LEU  41 -16.275  -2.497   2.904
  293   3HD1  LEU  41          HD11      LEU  41 -14.852  -1.786   2.143
  294   1HD2  LEU  41          HD23      LEU  41 -18.864  -1.085   1.391
  295   2HD2  LEU  41          HD22      LEU  41 -18.216  -2.456   0.491
  296   3HD2  LEU  41          HD21      LEU  41 -18.138  -2.442   2.253
  297    H    PHE  42           HN       PHE  42 -17.073   3.393   0.345
  298    HA   PHE  42           HA       PHE  42 -19.776   3.956   1.265
  299   1HB   PHE  42           HB2      PHE  42 -17.238   5.366   1.074
  300   2HB   PHE  42           HB1      PHE  42 -18.582   6.386   0.558
  301    HD1  PHE  42           HD1      PHE  42 -18.990   3.614   2.962
  302    HD2  PHE  42           HD2      PHE  42 -18.514   7.857   2.496
  303    HE1  PHE  42           HE1      PHE  42 -19.649   3.947   5.329
  304    HE2  PHE  42           HE2      PHE  42 -19.174   8.191   4.863
  305    HZ   PHE  42           HZ       PHE  42 -19.742   6.236   6.279
  306    H    LYS  43           HN       LYS  43 -18.014   5.439  -1.477
  307    HA   LYS  43           HA       LYS  43 -20.552   5.991  -2.827
  308   1HB   LYS  43           HB2      LYS  43 -17.837   6.933  -2.993
  309   2HB   LYS  43           HB1      LYS  43 -18.388   6.445  -4.597
  310   1HG   LYS  43           HG2      LYS  43 -20.397   7.839  -4.352
  311   2HG   LYS  43           HG1      LYS  43 -19.886   8.306  -2.730
  312   1HD   LYS  43           HD2      LYS  43 -18.595   9.941  -3.573
  313   2HD   LYS  43           HD1      LYS  43 -17.719   8.770  -4.560
  314   1HE   LYS  43           HE2      LYS  43 -20.406   9.379  -5.581
  315   2HE   LYS  43           HE1      LYS  43 -19.330  10.776  -5.552
  316   1HZ   LYS  43           HZ3      LYS  43 -18.398   8.190  -6.615
  317   2HZ   LYS  43           HZ2      LYS  43 -19.304   9.244  -7.592
  318   3HZ   LYS  43           HZ1      LYS  43 -17.818   9.749  -6.943
  319    H    LYS  44           HN       LYS  44 -19.653   3.106  -2.449
  320    HA   LYS  44           HA       LYS  44 -18.867   2.080  -5.012
  321   1HB   LYS  44           HB2      LYS  44 -19.242   1.013  -2.466
  322   2HB   LYS  44           HB1      LYS  44 -20.515   0.261  -3.424
  323   1HG   LYS  44           HG2      LYS  44 -18.895  -0.507  -5.071
  324   2HG   LYS  44           HG1      LYS  44 -17.598   0.350  -4.237
  325   1HD   LYS  44           HD2      LYS  44 -17.777  -1.083  -2.313
  326   2HD   LYS  44           HD1      LYS  44 -19.260  -1.814  -2.926
  327   1HE   LYS  44           HE2      LYS  44 -16.574  -1.992  -4.319
  328   2HE   LYS  44           HE1      LYS  44 -17.237  -3.251  -3.278
  329   1HZ   LYS  44           HZ1      LYS  44 -19.268  -2.690  -4.991
  330   2HZ   LYS  44           HZ3      LYS  44 -17.898  -2.590  -5.985
  331   3HZ   LYS  44           HZ2      LYS  44 -18.208  -4.013  -5.109
  332    H    PHE  45           HN       PHE  45 -21.962   2.829  -3.513
  333    HA   PHE  45           HA       PHE  45 -23.371   3.271  -5.894
  334   1HB   PHE  45           HB2      PHE  45 -24.728   1.145  -6.062
  335   2HB   PHE  45           HB1      PHE  45 -23.044   0.967  -6.545
  336    HD1  PHE  45           HD2      PHE  45 -25.482   0.346  -3.820
  337    HD2  PHE  45           HD1      PHE  45 -21.520  -0.412  -5.299
  338    HE1  PHE  45           HE2      PHE  45 -25.182  -1.419  -2.106
  339    HE2  PHE  45           HE1      PHE  45 -21.221  -2.181  -3.585
  340    HZ   PHE  45           HZ       PHE  45 -23.052  -2.684  -1.988
  341    H    THR  46           HN       THR  46 -23.259   4.149  -3.139
  342    HA   THR  46           HA       THR  46 -24.839   5.063  -1.646
  343    HB   THR  46           HB       THR  46 -27.137   3.554  -2.755
  344    HG1  THR  46           HG1      THR  46 -27.121   4.635  -4.672
  345   1HG2  THR  46          HG22      THR  46 -26.469   6.339  -1.860
  346   2HG2  THR  46          HG21      THR  46 -27.896   6.067  -2.861
  347   3HG2  THR  46          HG23      THR  46 -27.750   5.265  -1.297
  348    H    SER  47           HN       SER  47 -23.581   2.249  -1.605
  349    HA   SER  47           HA       SER  47 -25.398   0.526  -0.195
  350   1HB   SER  47           HB2      SER  47 -22.975   0.138  -1.294
  351   2HB   SER  47           HB1      SER  47 -22.479   0.364   0.381
  352    HG   SER  47           HG       SER  47 -24.427  -1.188   0.675
  353    H    LYS  48           HN       LYS  48 -23.219   3.102   0.818
  354    HA   LYS  48           HA       LYS  48 -24.330   2.806   3.574
  355   1HB   LYS  48           HB2      LYS  48 -21.469   3.574   2.929
  356   2HB   LYS  48           HB1      LYS  48 -22.161   3.320   4.530
  357   1HG   LYS  48           HG2      LYS  48 -22.218   1.132   2.456
  358   2HG   LYS  48           HG1      LYS  48 -20.803   1.375   3.481
  359   1HD   LYS  48           HD2      LYS  48 -22.932   1.484   5.270
  360   2HD   LYS  48           HD1      LYS  48 -23.393   0.202   4.152
  361   1HE   LYS  48           HE2      LYS  48 -20.837  -0.501   4.495
  362   2HE   LYS  48           HE1      LYS  48 -21.075   0.337   6.029
  363   1HZ   LYS  48           HZ1      LYS  48 -23.285  -1.104   5.949
  364   2HZ   LYS  48           HZ3      LYS  48 -22.275  -2.129   5.051
  365   3HZ   LYS  48           HZ2      LYS  48 -21.840  -1.682   6.632
  366    H    ALA  49           HN       ALA  49 -22.542   5.014   1.391
  367    HA   ALA  49           HA       ALA  49 -24.438   7.140   1.717
  368   1HB   ALA  49           HB3      ALA  49 -22.083   7.069   3.572
  369   2HB   ALA  49           HB2      ALA  49 -22.625   8.628   2.950
  370   3HB   ALA  49           HB1      ALA  49 -23.732   7.617   3.879
  371    H    SER  50           HN       SER  50 -23.718   6.522  -0.627
  372    HA   SER  50           HA       SER  50 -21.156   7.379  -1.596
  373   1HB   SER  50           HB2      SER  50 -22.231   7.323  -3.825
  374   2HB   SER  50           HB1      SER  50 -22.617   5.882  -2.893
  375    HG   SER  50           HG       SER  50 -24.458   7.595  -2.251
   
  No H/Q in entry =         375
  Start of MODEL    6
    1   1H    ALA   1           HT2      ALA   1  -8.606  13.089  -0.428
    2   2H    ALA   1           HT1      ALA   1  -8.521  13.755   1.134
    3   3H    ALA   1           HT3      ALA   1  -9.643  12.529   0.796
    4    HA   ALA   1           HA       ALA   1 -11.150  14.061   0.324
    5   1HB   ALA   1           HB1      ALA   1  -8.769  15.858   0.744
    6   2HB   ALA   1           HB3      ALA   1 -10.307  16.528   0.202
    7   3HB   ALA   1           HB2      ALA   1 -10.210  15.681   1.746
    8    H    GLU   2           HN       GLU   2 -11.943  13.810  -1.711
    9    HA   GLU   2           HA       GLU   2 -12.158  14.037  -4.035
   10   1HB   GLU   2           HB2      GLU   2 -10.354  16.324  -3.297
   11   2HB   GLU   2           HB1      GLU   2 -10.629  15.954  -5.001
   12   1HG   GLU   2           HG2      GLU   2 -13.175  15.831  -3.868
   13   2HG   GLU   2           HG1      GLU   2 -12.421  17.215  -3.076
   14    H    GLY   3           HN       GLY   3 -10.475  14.276  -6.097
   15   1HA   GLY   3           HA2      GLY   3  -8.069  13.596  -6.629
   16   2HA   GLY   3           HA1      GLY   3  -8.351  12.247  -5.527
   17    H    ASP   4           HN       ASP   4 -10.378  13.663  -8.108
   18    HA   ASP   4           HA       ASP   4 -11.578  12.565  -9.808
   19   1HB   ASP   4           HB2      ASP   4  -8.962  12.420 -10.378
   20   2HB   ASP   4           HB1      ASP   4  -9.286  10.694 -10.204
   21    H    ASP   5           HN       ASP   5 -12.769  11.628  -7.787
   22    HA   ASP   5           HA       ASP   5 -13.703   9.076  -8.250
   23   1HB   ASP   5           HB2      ASP   5 -11.017   8.982  -7.128
   24   2HB   ASP   5           HB1      ASP   5 -12.178   8.151  -6.092
   25    HA   PRO   6           HA       PRO   6 -16.073  10.187  -4.731
   26   1HB   PRO   6           HB2      PRO   6 -17.140   7.747  -4.055
   27   2HB   PRO   6           HB1      PRO   6 -17.661   8.686  -5.467
   28   1HG   PRO   6           HG2      PRO   6 -15.969   6.223  -5.378
   29   2HG   PRO   6           HG1      PRO   6 -16.989   6.834  -6.693
   30   1HD   PRO   6           HD2      PRO   6 -14.159   7.076  -6.521
   31   2HD   PRO   6           HD1      PRO   6 -15.217   7.921  -7.670
   32    H    ALA   7           HN       ALA   7 -13.727  10.397  -3.651
   33    HA   ALA   7           HA       ALA   7 -12.584  10.208  -1.612
   34   1HB   ALA   7           HB3      ALA   7 -15.010   9.868  -0.779
   35   2HB   ALA   7           HB2      ALA   7 -14.613   8.150  -0.758
   36   3HB   ALA   7           HB1      ALA   7 -13.702   9.278   0.245
   37    H    LYS   8           HN       LYS   8 -11.814   8.643  -3.850
   38    HA   LYS   8           HA       LYS   8 -11.481   5.876  -3.344
   39   1HB   LYS   8           HB2      LYS   8 -10.917   6.703  -5.521
   40   2HB   LYS   8           HB1      LYS   8  -9.764   7.859  -4.855
   41   1HG   LYS   8           HG2      LYS   8  -8.371   5.971  -4.037
   42   2HG   LYS   8           HG1      LYS   8  -9.504   4.839  -4.777
   43   1HD   LYS   8           HD2      LYS   8  -7.597   5.210  -6.273
   44   2HD   LYS   8           HD1      LYS   8  -9.066   5.874  -6.990
   45   1HE   LYS   8           HE2      LYS   8  -7.948   7.926  -5.380
   46   2HE   LYS   8           HE1      LYS   8  -6.622   7.240  -6.322
   47   1HZ   LYS   8           HZ3      LYS   8  -9.221   8.138  -7.441
   48   2HZ   LYS   8           HZ2      LYS   8  -7.776   9.029  -7.500
   49   3HZ   LYS   8           HZ1      LYS   8  -7.900   7.548  -8.324
   50    H    ALA   9           HN       ALA   9  -9.413   8.631  -2.426
   51    HA   ALA   9           HA       ALA   9  -7.249   7.310  -1.290
   52   1HB   ALA   9           HB3      ALA   9  -8.491   9.906  -1.008
   53   2HB   ALA   9           HB2      ALA   9  -7.898   9.342   0.555
   54   3HB   ALA   9           HB1      ALA   9  -6.795   9.463  -0.816
   55    H    ALA  10           HN       ALA  10 -10.329   8.080   0.380
   56    HA   ALA  10           HA       ALA  10  -9.623   6.720   2.799
   57   1HB   ALA  10           HB2      ALA  10 -11.567   8.363   2.393
   58   2HB   ALA  10           HB1      ALA  10 -12.449   6.963   1.787
   59   3HB   ALA  10           HB3      ALA  10 -11.873   6.987   3.453
   60    H    PHE  11           HN       PHE  11 -11.461   5.632  -0.078
   61    HA   PHE  11           HA       PHE  11 -12.275   3.111   0.712
   62   1HB   PHE  11           HB2      PHE  11 -11.827   4.372  -1.763
   63   2HB   PHE  11           HB1      PHE  11 -10.913   2.864  -1.836
   64    HD1  PHE  11           HD2      PHE  11 -14.274   4.266  -1.015
   65    HD2  PHE  11           HD1      PHE  11 -12.014   0.783  -2.121
   66    HE1  PHE  11           HE2      PHE  11 -16.382   3.005  -1.345
   67    HE2  PHE  11           HE1      PHE  11 -14.126  -0.478  -2.450
   68    HZ   PHE  11           HZ       PHE  11 -16.308   0.633  -2.062
   69    H    ASP  12           HN       ASP  12  -8.977   4.088  -0.164
   70    HA   ASP  12           HA       ASP  12  -7.858   1.438   0.191
   71   1HB   ASP  12           HB2      ASP  12  -6.881   4.139  -0.415
   72   2HB   ASP  12           HB1      ASP  12  -5.786   3.232   0.629
   73    H    SER  13           HN       SER  13  -8.155   4.338   2.222
   74    HA   SER  13           HA       SER  13  -6.786   3.166   4.491
   75   1HB   SER  13           HB2      SER  13  -8.198   5.673   3.878
   76   2HB   SER  13           HB1      SER  13  -8.383   5.145   5.547
   77    HG   SER  13           HG       SER  13  -6.050   4.899   5.549
   78    H    LEU  14           HN       LEU  14 -10.193   4.285   4.462
   79    HA   LEU  14           HA       LEU  14 -11.159   2.811   6.575
   80   1HB   LEU  14           HB2      LEU  14 -13.366   2.835   5.511
   81   2HB   LEU  14           HB1      LEU  14 -12.541   4.365   5.214
   82    HG   LEU  14           HG       LEU  14 -11.695   2.986   3.057
   83   1HD1  LEU  14          HD12      LEU  14 -13.024   0.984   3.726
   84   2HD1  LEU  14          HD11      LEU  14 -14.492   1.953   3.606
   85   3HD1  LEU  14          HD13      LEU  14 -13.525   1.635   2.166
   86   1HD2  LEU  14          HD23      LEU  14 -12.891   5.202   3.176
   87   2HD2  LEU  14          HD22      LEU  14 -13.361   4.209   1.796
   88   3HD2  LEU  14          HD21      LEU  14 -14.414   4.314   3.206
   89    H    GLN  15           HN       GLN  15 -10.549   1.532   3.304
   90    HA   GLN  15           HA       GLN  15 -11.745  -1.029   3.726
   91   1HB   GLN  15           HB2      GLN  15 -11.116  -0.302   1.488
   92   2HB   GLN  15           HB1      GLN  15  -9.417  -0.229   1.957
   93   1HG   GLN  15           HG2      GLN  15  -9.510  -2.321   0.937
   94   2HG   GLN  15           HG1      GLN  15  -9.796  -2.750   2.623
   95   1HE2  GLN  15          HE22      GLN  15 -13.315  -3.418   2.093
   96   2HE2  GLN  15          HE21      GLN  15 -12.240  -2.796   3.252
   97    H    ALA  16           HN       ALA  16  -8.294  -0.068   3.997
   98    HA   ALA  16           HA       ALA  16  -7.672  -2.587   5.308
   99   1HB   ALA  16           HB1      ALA  16  -6.137  -0.205   4.429
  100   2HB   ALA  16           HB3      ALA  16  -5.446  -1.168   5.735
  101   3HB   ALA  16           HB2      ALA  16  -5.790  -1.916   4.176
  102    H    SER  17           HN       SER  17  -9.307  -0.072   6.388
  103    HA   SER  17           HA       SER  17  -8.005   0.294   8.986
  104   1HB   SER  17           HB2      SER  17  -9.794   1.797   7.479
  105   2HB   SER  17           HB1      SER  17 -10.778   1.194   8.808
  106    HG   SER  17           HG       SER  17  -8.527   2.862   8.828
  107    H    ALA  18           HN       ALA  18  -8.627  -2.462   8.500
  108    HA   ALA  18           HA       ALA  18  -9.756  -4.247   9.550
  109   1HB   ALA  18           HB1      ALA  18  -8.931  -2.770  11.537
  110   2HB   ALA  18           HB3      ALA  18 -10.644  -2.403  11.713
  111   3HB   ALA  18           HB2      ALA  18 -10.083  -4.071  11.828
  112    H    THR  19           HN       THR  19 -11.247  -2.380   7.755
  113    HA   THR  19           HA       THR  19 -13.960  -2.457   8.918
  114    HB   THR  19           HB       THR  19 -13.096  -0.531   7.461
  115    HG1  THR  19           HG1      THR  19 -15.110  -0.345   6.446
  116   1HG2  THR  19          HG23      THR  19 -12.073  -2.159   5.772
  117   2HG2  THR  19          HG22      THR  19 -13.715  -2.414   5.185
  118   3HG2  THR  19          HG21      THR  19 -12.990  -0.812   5.102
  119    H    GLU  20           HN       GLU  20 -14.871  -4.451   8.915
  120    HA   GLU  20           HA       GLU  20 -15.915  -6.307   7.869
  121   1HB   GLU  20           HB2      GLU  20 -14.197  -5.828   5.456
  122   2HB   GLU  20           HB1      GLU  20 -15.657  -6.801   5.553
  123   1HG   GLU  20           HG2      GLU  20 -15.445  -3.791   5.725
  124   2HG   GLU  20           HG1      GLU  20 -16.331  -4.746   4.537
  125    H    TYR  21           HN       TYR  21 -12.643  -5.961   6.974
  126    HA   TYR  21           HA       TYR  21 -11.913  -8.410   8.380
  127   1HB   TYR  21           HB2      TYR  21 -10.338  -8.313   6.108
  128   2HB   TYR  21           HB1      TYR  21 -11.597  -9.487   6.406
  129    HD1  TYR  21           HD2      TYR  21 -14.028  -8.726   5.713
  130    HD2  TYR  21           HD1      TYR  21 -10.422  -6.873   4.293
  131    HE1  TYR  21           HE2      TYR  21 -15.266  -7.772   3.780
  132    HE2  TYR  21           HE1      TYR  21 -11.663  -5.928   2.367
  133    HH   TYR  21           HH       TYR  21 -14.874  -6.918   1.585
  134    H    ILE  22           HN       ILE  22 -10.886  -5.673   6.429
  135    HA   ILE  22           HA       ILE  22  -9.502  -3.923   7.735
  136    HB   ILE  22           HB       ILE  22  -8.571  -5.573   9.362
  137   1HG1  ILE  22          HG12      ILE  22  -6.060  -4.790   8.215
  138   2HG1  ILE  22          HG11      ILE  22  -7.214  -3.497   8.020
  139   1HG2  ILE  22          HG23      ILE  22  -8.169  -7.163   7.182
  140   2HG2  ILE  22          HG22      ILE  22  -6.544  -6.525   7.436
  141   3HG2  ILE  22          HG21      ILE  22  -7.363  -7.398   8.733
  142   1HD1  ILE  22          HD13      ILE  22  -7.071  -4.874  10.663
  143   2HD1  ILE  22          HD12      ILE  22  -5.798  -3.726  10.249
  144   3HD1  ILE  22          HD11      ILE  22  -7.480  -3.199  10.297
  145    H    GLY  23           HN       GLY  23 -10.089  -4.805   5.000
  146   1HA   GLY  23           HA2      GLY  23  -9.113  -4.720   2.853
  147   2HA   GLY  23           HA1      GLY  23  -8.069  -3.483   3.569
  148    H    TYR  24           HN       TYR  24  -8.189  -6.639   4.941
  149    HA   TYR  24           HA       TYR  24  -6.392  -8.024   5.474
  150   1HB   TYR  24           HB2      TYR  24  -7.416  -8.502   2.973
  151   2HB   TYR  24           HB1      TYR  24  -5.675  -8.410   2.671
  152    HD1  TYR  24           HD1      TYR  24  -7.749  -9.568   5.570
  153    HD2  TYR  24           HD2      TYR  24  -4.716 -10.528   2.691
  154    HE1  TYR  24           HE1      TYR  24  -7.408 -11.760   6.662
  155    HE2  TYR  24           HE2      TYR  24  -4.376 -12.722   3.777
  156    HH   TYR  24           HH       TYR  24  -4.830 -13.956   5.617
  157    H    ALA  25           HN       ALA  25  -5.508  -5.482   5.752
  158    HA   ALA  25           HA       ALA  25  -2.779  -5.594   4.540
  159   1HB   ALA  25           HB1      ALA  25  -4.712  -3.420   4.768
  160   2HB   ALA  25           HB3      ALA  25  -3.176  -3.004   5.528
  161   3HB   ALA  25           HB2      ALA  25  -3.219  -3.488   3.832
  162    H    TRP  26           HN       TRP  26  -4.721  -5.541   7.378
  163    HA   TRP  26           HA       TRP  26  -3.192  -4.503   9.399
  164   1HB   TRP  26           HB2      TRP  26  -4.399  -5.843  10.851
  165   2HB   TRP  26           HB1      TRP  26  -5.388  -6.002   9.408
  166    HD1  TRP  26           HD1      TRP  26  -3.964  -8.042  11.971
  167    HE1  TRP  26           HE1      TRP  26  -3.707 -10.477  11.253
  168    HE3  TRP  26           HE3      TRP  26  -4.462  -7.572   6.894
  169    HZ2  TRP  26           HZ2      TRP  26  -3.690 -12.047   8.884
  170    HZ3  TRP  26           HZ3      TRP  26  -4.316  -9.568   5.442
  171    HH2  TRP  26           HH2      TRP  26  -3.926 -11.805   6.434
  172    H    ALA  27           HN       ALA  27  -2.371  -7.290   7.464
  173    HA   ALA  27           HA       ALA  27   0.137  -7.516   9.035
  174   1HB   ALA  27           HB2      ALA  27  -1.455  -9.765   7.779
  175   2HB   ALA  27           HB1      ALA  27   0.124  -9.951   8.541
  176   3HB   ALA  27           HB3      ALA  27  -1.269  -9.463   9.506
  177    H    MET  28           HN       MET  28  -1.147  -8.831   5.978
  178    HA   MET  28           HA       MET  28   1.154  -8.986   4.546
  179   1HB   MET  28           HB2      MET  28  -1.641  -8.893   3.941
  180   2HB   MET  28           HB1      MET  28  -0.758  -7.943   2.744
  181   1HG   MET  28           HG2      MET  28   0.873  -9.983   2.695
  182   2HG   MET  28           HG1      MET  28  -0.476 -10.860   3.418
  183   1HE   MET  28           HE3      MET  28  -2.175 -11.947   2.236
  184   2HE   MET  28           HE2      MET  28  -2.116 -12.150   0.487
  185   3HE   MET  28           HE1      MET  28  -0.695 -12.526   1.456
  186    H    VAL  29           HN       VAL  29  -0.564  -6.060   5.414
  187    HA   VAL  29           HA       VAL  29   0.696  -4.342   3.479
  188    HB   VAL  29           HB       VAL  29  -1.370  -3.964   5.127
  189   1HG1  VAL  29          HG12      VAL  29   0.083  -4.041   7.172
  190   2HG1  VAL  29          HG11      VAL  29   0.908  -2.593   6.599
  191   3HG1  VAL  29          HG13      VAL  29  -0.805  -2.527   7.015
  192   1HG2  VAL  29          HG22      VAL  29   0.526  -2.124   3.774
  193   2HG2  VAL  29          HG21      VAL  29  -1.219  -2.291   3.574
  194   3HG2  VAL  29          HG23      VAL  29  -0.570  -1.374   4.934
  195    H    VAL  30           HN       VAL  30   1.535  -5.153   6.849
  196    HA   VAL  30           HA       VAL  30   3.880  -3.458   6.889
  197    HB   VAL  30           HB       VAL  30   3.364  -5.882   8.631
  198   1HG1  VAL  30          HG12      VAL  30   5.581  -4.427   8.550
  199   2HG1  VAL  30          HG11      VAL  30   4.619  -3.311   9.518
  200   3HG1  VAL  30          HG13      VAL  30   4.907  -4.953  10.092
  201   1HG2  VAL  30          HG21      VAL  30   1.391  -4.278   8.481
  202   2HG2  VAL  30          HG23      VAL  30   2.067  -4.483  10.096
  203   3HG2  VAL  30          HG22      VAL  30   2.449  -3.040   9.156
  204    H    VAL  31           HN       VAL  31   3.562  -7.031   6.825
  205    HA   VAL  31           HA       VAL  31   6.232  -7.695   6.403
  206    HB   VAL  31           HB       VAL  31   3.749  -8.962   5.219
  207   1HG1  VAL  31          HG13      VAL  31   6.607  -9.529   4.840
  208   2HG1  VAL  31          HG12      VAL  31   5.693 -10.921   5.421
  209   3HG1  VAL  31          HG11      VAL  31   5.217 -10.115   3.927
  210   1HG2  VAL  31          HG21      VAL  31   4.309  -8.780   7.806
  211   2HG2  VAL  31          HG23      VAL  31   3.693 -10.288   7.129
  212   3HG2  VAL  31          HG22      VAL  31   5.419 -10.098   7.436
  213    H    ILE  32           HN       ILE  32   3.815  -7.062   3.830
  214    HA   ILE  32           HA       ILE  32   5.669  -7.265   1.697
  215    HB   ILE  32           HB       ILE  32   3.006  -6.825   1.849
  216   1HG1  ILE  32          HG12      ILE  32   4.147  -7.955   0.032
  217   2HG1  ILE  32          HG11      ILE  32   3.072  -6.718  -0.625
  218   1HG2  ILE  32          HG23      ILE  32   4.230  -4.254   0.893
  219   2HG2  ILE  32          HG22      ILE  32   2.564  -4.720   0.558
  220   3HG2  ILE  32          HG21      ILE  32   3.085  -4.454   2.220
  221   1HD1  ILE  32          HD11      ILE  32   5.904  -5.979   0.019
  222   2HD1  ILE  32          HD13      ILE  32   5.572  -6.879  -1.460
  223   3HD1  ILE  32          HD12      ILE  32   4.823  -5.305  -1.199
  224    H    VAL  33           HN       VAL  33   4.528  -4.287   3.368
  225    HA   VAL  33           HA       VAL  33   6.077  -2.443   2.000
  226    HB   VAL  33           HB       VAL  33   5.485  -2.638   4.969
  227   1HG1  VAL  33          HG11      VAL  33   7.467  -0.980   3.646
  228   2HG1  VAL  33          HG13      VAL  33   6.199   0.015   4.364
  229   3HG1  VAL  33          HG12      VAL  33   7.105  -1.119   5.366
  230   1HG2  VAL  33          HG21      VAL  33   3.870  -2.001   2.884
  231   2HG2  VAL  33          HG23      VAL  33   3.676  -1.312   4.496
  232   3HG2  VAL  33          HG22      VAL  33   4.536  -0.409   3.249
  233    H    GLY  34           HN       GLY  34   7.172  -4.968   4.136
  234   1HA   GLY  34           HA2      GLY  34   9.877  -3.971   4.440
  235   2HA   GLY  34           HA1      GLY  34   9.377  -5.663   4.619
  236    H    ALA  35           HN       ALA  35   8.336  -6.358   2.301
  237    HA   ALA  35           HA       ALA  35  10.573  -6.665   0.531
  238   1HB   ALA  35           HB1      ALA  35   8.351  -8.077   0.829
  239   2HB   ALA  35           HB3      ALA  35   7.762  -7.011  -0.447
  240   3HB   ALA  35           HB2      ALA  35   9.177  -8.026  -0.729
  241    H    THR  36           HN       THR  36   7.511  -4.683   0.095
  242    HA   THR  36           HA       THR  36   8.307  -3.567  -2.394
  243    HB   THR  36           HB       THR  36   6.537  -2.467  -0.197
  244    HG1  THR  36           HG1      THR  36   5.090  -3.023  -2.171
  245   1HG2  THR  36          HG22      THR  36   7.502  -1.267  -2.707
  246   2HG2  THR  36          HG21      THR  36   5.749  -1.239  -2.514
  247   3HG2  THR  36          HG23      THR  36   6.783  -0.496  -1.294
  248    H    ILE  37           HN       ILE  37   8.393  -1.866   0.760
  249    HA   ILE  37           HA       ILE  37  10.013   0.299  -0.112
  250    HB   ILE  37           HB       ILE  37   9.858  -0.954   2.639
  251   1HG1  ILE  37          HG12      ILE  37   7.648  -0.318   1.823
  252   2HG1  ILE  37          HG11      ILE  37   8.170   0.866   3.021
  253   1HG2  ILE  37          HG22      ILE  37  11.782   0.645   2.193
  254   2HG2  ILE  37          HG21      ILE  37  10.574   1.891   1.878
  255   3HG2  ILE  37          HG23      ILE  37  10.680   1.149   3.474
  256   1HD1  ILE  37          HD11      ILE  37   9.100   2.199   1.008
  257   2HD1  ILE  37          HD13      ILE  37   8.082   1.151   0.020
  258   3HD1  ILE  37          HD12      ILE  37   7.352   2.191   1.244
  259    H    GLY  38           HN       GLY  38  10.882  -2.954   0.520
  260   1HA   GLY  38           HA2      GLY  38  13.670  -2.484   1.176
  261   2HA   GLY  38           HA1      GLY  38  12.968  -4.040   0.719
  262    H    ILE  39           HN       ILE  39  12.257  -4.111  -1.663
  263    HA   ILE  39           HA       ILE  39  14.527  -3.650  -3.320
  264    HB   ILE  39           HB       ILE  39  12.636  -5.307  -3.743
  265   1HG1  ILE  39          HG12      ILE  39  12.580  -4.186  -6.315
  266   2HG1  ILE  39          HG11      ILE  39  14.102  -3.629  -5.617
  267   1HG2  ILE  39          HG23      ILE  39  10.920  -3.373  -3.363
  268   2HG2  ILE  39          HG22      ILE  39  11.227  -2.995  -5.057
  269   3HG2  ILE  39          HG21      ILE  39  10.583  -4.574  -4.609
  270   1HD1  ILE  39          HD12      ILE  39  14.672  -5.953  -5.006
  271   2HD1  ILE  39          HD11      ILE  39  13.157  -6.509  -5.716
  272   3HD1  ILE  39          HD13      ILE  39  14.404  -5.801  -6.742
  273    H    LYS  40           HN       LYS  40  12.110  -1.542  -2.106
  274    HA   LYS  40           HA       LYS  40  11.977   0.302  -4.337
  275   1HB   LYS  40           HB2      LYS  40  10.785   0.090  -1.808
  276   2HB   LYS  40           HB1      LYS  40  11.707   1.591  -1.747
  277   1HG   LYS  40           HG2      LYS  40   9.471   2.055  -2.609
  278   2HG   LYS  40           HG1      LYS  40  10.654   2.284  -3.897
  279   1HD   LYS  40           HD2      LYS  40  10.118  -0.315  -4.300
  280   2HD   LYS  40           HD1      LYS  40   8.580   0.170  -3.584
  281   1HE   LYS  40           HE2      LYS  40   8.835   2.203  -5.284
  282   2HE   LYS  40           HE1      LYS  40   9.829   1.037  -6.158
  283   1HZ   LYS  40           HZ3      LYS  40   7.446  -0.176  -5.214
  284   2HZ   LYS  40           HZ2      LYS  40   7.077   1.196  -6.145
  285   3HZ   LYS  40           HZ1      LYS  40   8.025  -0.051  -6.802
  286    H    LEU  41           HN       LEU  41  13.586   0.846  -1.177
  287    HA   LEU  41           HA       LEU  41  15.306   2.898  -2.277
  288   1HB   LEU  41           HB2      LEU  41  14.649   1.898   0.301
  289   2HB   LEU  41           HB1      LEU  41  16.400   1.777   0.132
  290    HG   LEU  41           HG       LEU  41  15.820   3.978   1.021
  291   1HD1  LEU  41          HD11      LEU  41  17.600   3.583  -0.875
  292   2HD1  LEU  41          HD13      LEU  41  16.469   4.505  -1.865
  293   3HD1  LEU  41          HD12      LEU  41  17.167   5.230  -0.416
  294   1HD2  LEU  41          HD23      LEU  41  13.499   3.958  -0.015
  295   2HD2  LEU  41          HD22      LEU  41  14.357   5.494  -0.142
  296   3HD2  LEU  41          HD21      LEU  41  14.259   4.421  -1.538
  297    H    PHE  42           HN       PHE  42  15.483  -0.535  -2.270
  298    HA   PHE  42           HA       PHE  42  18.402  -0.688  -2.372
  299   1HB   PHE  42           HB2      PHE  42  16.446  -2.513  -1.823
  300   2HB   PHE  42           HB1      PHE  42  16.840  -2.933  -3.489
  301    HD1  PHE  42           HD2      PHE  42  19.508  -2.847  -3.981
  302    HD2  PHE  42           HD1      PHE  42  17.676  -3.576  -0.164
  303    HE1  PHE  42           HE2      PHE  42  21.575  -3.979  -3.206
  304    HE2  PHE  42           HE1      PHE  42  19.741  -4.708   0.611
  305    HZ   PHE  42           HZ       PHE  42  21.690  -4.910  -0.909
  306    H    LYS  43           HN       LYS  43  15.872  -1.436  -4.803
  307    HA   LYS  43           HA       LYS  43  17.720  -1.490  -6.999
  308   1HB   LYS  43           HB2      LYS  43  14.995  -2.045  -6.623
  309   2HB   LYS  43           HB1      LYS  43  15.030  -0.720  -7.786
  310   1HG   LYS  43           HG2      LYS  43  15.352  -2.409  -9.291
  311   2HG   LYS  43           HG1      LYS  43  17.031  -2.267  -8.769
  312   1HD   LYS  43           HD2      LYS  43  16.362  -3.943  -6.899
  313   2HD   LYS  43           HD1      LYS  43  14.964  -4.286  -7.920
  314   1HE   LYS  43           HE2      LYS  43  16.569  -5.864  -8.630
  315   2HE   LYS  43           HE1      LYS  43  16.690  -4.578  -9.831
  316   1HZ   LYS  43           HZ2      LYS  43  18.401  -3.733  -7.948
  317   2HZ   LYS  43           HZ1      LYS  43  18.595  -5.417  -7.827
  318   3HZ   LYS  43           HZ3      LYS  43  18.853  -4.641  -9.312
  319    H    LYS  44           HN       LYS  44  16.178   1.108  -5.305
  320    HA   LYS  44           HA       LYS  44  16.226   3.072  -7.404
  321   1HB   LYS  44           HB2      LYS  44  15.086   3.148  -5.051
  322   2HB   LYS  44           HB1      LYS  44  16.646   3.764  -4.506
  323   1HG   LYS  44           HG2      LYS  44  16.525   5.543  -6.237
  324   2HG   LYS  44           HG1      LYS  44  14.929   4.951  -6.703
  325   1HD   LYS  44           HD2      LYS  44  13.921   5.740  -4.789
  326   2HD   LYS  44           HD1      LYS  44  15.380   5.543  -3.816
  327   1HE   LYS  44           HE2      LYS  44  16.388   7.503  -4.809
  328   2HE   LYS  44           HE1      LYS  44  15.069   7.648  -5.972
  329   1HZ   LYS  44           HZ1      LYS  44  13.636   7.722  -3.815
  330   2HZ   LYS  44           HZ3      LYS  44  15.086   8.230  -3.096
  331   3HZ   LYS  44           HZ2      LYS  44  14.415   9.125  -4.375
  332    H    PHE  45           HN       PHE  45  18.685   1.552  -5.606
  333    HA   PHE  45           HA       PHE  45  20.664   3.536  -5.355
  334   1HB   PHE  45           HB2      PHE  45  20.544   0.715  -5.173
  335   2HB   PHE  45           HB1      PHE  45  21.856   1.082  -6.295
  336    HD1  PHE  45           HD1      PHE  45  20.475   2.518  -3.105
  337    HD2  PHE  45           HD2      PHE  45  23.952   1.328  -5.329
  338    HE1  PHE  45           HE1      PHE  45  21.919   3.184  -1.202
  339    HE2  PHE  45           HE2      PHE  45  25.397   1.994  -3.426
  340    HZ   PHE  45           HZ       PHE  45  24.380   2.922  -1.362
  341    H    THR  46           HN       THR  46  20.102   1.403  -8.182
  342    HA   THR  46           HA       THR  46  20.662   3.437 -10.030
  343    HB   THR  46           HB       THR  46  22.797   1.378 -10.190
  344    HG1  THR  46           HG1      THR  46  23.372   3.651  -8.712
  345   1HG2  THR  46          HG21      THR  46  22.413   3.183 -11.904
  346   2HG2  THR  46          HG23      THR  46  22.845   4.366 -10.669
  347   3HG2  THR  46          HG22      THR  46  24.034   3.181 -11.209
  348    H    SER  47           HN       SER  47  18.585   1.595  -9.783
  349    HA   SER  47           HA       SER  47  19.108  -0.256 -12.079
  350   1HB   SER  47           HB2      SER  47  17.398  -0.523  -9.628
  351   2HB   SER  47           HB1      SER  47  16.957  -1.395 -11.091
  352    HG   SER  47           HG       SER  47  19.318  -2.019 -11.026
  353    H    LYS  48           HN       LYS  48  16.382   1.499 -10.535
  354    HA   LYS  48           HA       LYS  48  15.356   2.025 -13.297
  355   1HB   LYS  48           HB2      LYS  48  13.115   2.100 -12.337
  356   2HB   LYS  48           HB1      LYS  48  13.888   0.584 -11.871
  357   1HG   LYS  48           HG2      LYS  48  13.620   1.100  -9.701
  358   2HG   LYS  48           HG1      LYS  48  14.570   2.570  -9.927
  359   1HD   LYS  48           HD2      LYS  48  12.721   3.839  -9.760
  360   2HD   LYS  48           HD1      LYS  48  11.951   2.939 -11.067
  361   1HE   LYS  48           HE2      LYS  48  11.840   1.169  -8.936
  362   2HE   LYS  48           HE1      LYS  48  11.542   2.732  -8.176
  363   1HZ   LYS  48           HZ1      LYS  48  10.007   2.980 -10.300
  364   2HZ   LYS  48           HZ3      LYS  48   9.953   1.291 -10.150
  365   3HZ   LYS  48           HZ2      LYS  48   9.451   2.274  -8.857
  366    H    ALA  49           HN       ALA  49  16.372   3.411 -10.284
  367    HA   ALA  49           HA       ALA  49  15.481   6.101 -11.243
  368   1HB   ALA  49           HB2      ALA  49  15.297   4.827  -8.676
  369   2HB   ALA  49           HB1      ALA  49  16.358   6.230  -8.539
  370   3HB   ALA  49           HB3      ALA  49  14.715   6.422  -9.151
  371    H    SER  50           HN       SER  50  18.073   4.819  -9.121
  372    HA   SER  50           HA       SER  50  20.391   5.205  -9.188
  373   1HB   SER  50           HB2      SER  50  19.993   6.529 -11.868
  374   2HB   SER  50           HB1      SER  50  21.424   5.699 -11.264
  375    HG   SER  50           HG       SER  50  18.912   4.589 -11.987
   
  No H/Q in entry =         375
  Start of MODEL    7
    1   1H    ALA   1           HT1      ALA   1  -0.419  13.345  -2.228
    2   2H    ALA   1           HT3      ALA   1   0.664  14.610  -1.909
    3   3H    ALA   1           HT2      ALA   1  -0.124  13.824  -0.624
    4    HA   ALA   1           HA       ALA   1  -1.520  15.562  -0.718
    5   1HB   ALA   1           HB1      ALA   1  -0.760  15.817  -3.645
    6   2HB   ALA   1           HB3      ALA   1  -1.790  16.943  -2.762
    7   3HB   ALA   1           HB2      ALA   1  -0.092  16.767  -2.319
    8    H    GLU   2           HN       GLU   2  -3.695  15.196  -0.714
    9    HA   GLU   2           HA       GLU   2  -5.797  14.386  -1.396
   10   1HB   GLU   2           HB2      GLU   2  -4.391  14.806  -3.813
   11   2HB   GLU   2           HB1      GLU   2  -5.103  13.196  -3.933
   12   1HG   GLU   2           HG2      GLU   2  -7.035  14.232  -4.479
   13   2HG   GLU   2           HG1      GLU   2  -7.126  14.726  -2.787
   14    H    GLY   3           HN       GLY   3  -6.848  12.328  -1.358
   15   1HA   GLY   3           HA2      GLY   3  -6.990   9.981  -1.136
   16   2HA   GLY   3           HA1      GLY   3  -5.333   9.869  -1.732
   17    H    ASP   4           HN       ASP   4  -6.394  11.806   1.031
   18    HA   ASP   4           HA       ASP   4  -5.035   9.880   2.854
   19   1HB   ASP   4           HB2      ASP   4  -3.770  11.639   3.917
   20   2HB   ASP   4           HB1      ASP   4  -3.471  11.756   2.182
   21    H    ASP   5           HN       ASP   5  -6.548   9.350   4.350
   22    HA   ASP   5           HA       ASP   5  -7.945  11.433   5.839
   23   1HB   ASP   5           HB2      ASP   5  -9.277   9.985   3.633
   24   2HB   ASP   5           HB1      ASP   5 -10.167   9.988   5.157
   25    HA   PRO   6           HA       PRO   6  -8.079   8.210   8.815
   26   1HB   PRO   6           HB2      PRO   6 -10.305   8.912  10.265
   27   2HB   PRO   6           HB1      PRO   6  -8.768   9.794  10.341
   28   1HG   PRO   6           HG2      PRO   6 -11.317  10.591   9.005
   29   2HG   PRO   6           HG1      PRO   6  -9.999  11.614   9.603
   30   1HD   PRO   6           HD2      PRO   6 -10.460  10.879   6.885
   31   2HD   PRO   6           HD1      PRO   6  -9.016  11.688   7.530
   32    H    ALA   7           HN       ALA   7  -9.290   7.348   6.343
   33    HA   ALA   7           HA       ALA   7 -10.876   5.146   7.277
   34   1HB   ALA   7           HB1      ALA   7 -12.280   7.590   6.349
   35   2HB   ALA   7           HB3      ALA   7 -12.861   6.068   5.673
   36   3HB   ALA   7           HB2      ALA   7 -12.842   6.307   7.419
   37    H    LYS   8           HN       LYS   8 -10.493   7.246   4.394
   38    HA   LYS   8           HA       LYS   8 -10.805   5.380   2.369
   39   1HB   LYS   8           HB2      LYS   8  -9.851   7.947   2.475
   40   2HB   LYS   8           HB1      LYS   8  -8.393   7.056   2.032
   41   1HG   LYS   8           HG2      LYS   8  -9.422   6.143   0.081
   42   2HG   LYS   8           HG1      LYS   8 -11.029   6.647   0.606
   43   1HD   LYS   8           HD2      LYS   8 -10.415   9.000   0.351
   44   2HD   LYS   8           HD1      LYS   8  -8.767   8.546  -0.082
   45   1HE   LYS   8           HE2      LYS   8  -9.422   7.649  -2.154
   46   2HE   LYS   8           HE1      LYS   8 -11.103   7.474  -1.651
   47   1HZ   LYS   8           HZ2      LYS   8 -10.430  10.166  -1.414
   48   2HZ   LYS   8           HZ1      LYS   8  -9.877   9.652  -2.936
   49   3HZ   LYS   8           HZ3      LYS   8 -11.507   9.453  -2.518
   50    H    ALA   9           HN       ALA   9  -7.901   5.885   4.368
   51    HA   ALA   9           HA       ALA   9  -6.088   4.159   3.162
   52   1HB   ALA   9           HB3      ALA   9  -6.341   5.379   5.687
   53   2HB   ALA   9           HB2      ALA   9  -6.126   3.659   6.018
   54   3HB   ALA   9           HB1      ALA   9  -4.928   4.530   5.060
   55    H    ALA  10           HN       ALA  10  -8.375   3.145   5.740
   56    HA   ALA  10           HA       ALA  10  -7.937   0.367   5.479
   57   1HB   ALA  10           HB2      ALA  10  -9.409   1.728   7.180
   58   2HB   ALA  10           HB1      ALA  10 -10.697   1.414   6.017
   59   3HB   ALA  10           HB3      ALA  10  -9.848   0.068   6.778
   60    H    PHE  11           HN       PHE  11 -10.228   2.481   3.745
   61    HA   PHE  11           HA       PHE  11 -11.739   0.701   2.293
   62   1HB   PHE  11           HB2      PHE  11 -11.092   3.379   2.009
   63   2HB   PHE  11           HB1      PHE  11 -10.488   2.673   0.512
   64    HD1  PHE  11           HD1      PHE  11 -13.473   2.192   2.747
   65    HD2  PHE  11           HD2      PHE  11 -11.992   2.706  -1.251
   66    HE1  PHE  11           HE1      PHE  11 -15.790   2.056   1.872
   67    HE2  PHE  11           HE2      PHE  11 -14.307   2.570  -2.127
   68    HZ   PHE  11           HZ       PHE  11 -16.207   2.245  -0.567
   69    H    ASP  12           HN       ASP  12  -8.361   1.590   1.607
   70    HA   ASP  12           HA       ASP  12  -8.109  -0.250  -0.625
   71   1HB   ASP  12           HB2      ASP  12  -6.310   1.524   0.944
   72   2HB   ASP  12           HB1      ASP  12  -5.547   0.145   0.151
   73    H    SER  13           HN       SER  13  -7.334  -0.406   2.845
   74    HA   SER  13           HA       SER  13  -6.058  -3.003   2.691
   75   1HB   SER  13           HB2      SER  13  -5.429  -2.258   4.727
   76   2HB   SER  13           HB1      SER  13  -6.701  -1.042   4.743
   77    HG   SER  13           HG       SER  13  -6.670  -2.956   6.328
   78    H    LEU  14           HN       LEU  14  -9.094  -2.234   4.445
   79    HA   LEU  14           HA       LEU  14 -10.113  -4.812   4.671
   80   1HB   LEU  14           HB2      LEU  14 -12.191  -2.887   3.783
   81   2HB   LEU  14           HB1      LEU  14 -12.133  -3.882   5.234
   82    HG   LEU  14           HG       LEU  14 -10.664  -1.289   4.758
   83   1HD1  LEU  14          HD13      LEU  14 -13.039  -2.132   6.390
   84   2HD1  LEU  14          HD12      LEU  14 -12.043  -0.777   6.921
   85   3HD1  LEU  14          HD11      LEU  14 -12.851  -0.717   5.354
   86   1HD2  LEU  14          HD23      LEU  14  -9.984  -3.505   6.432
   87   2HD2  LEU  14          HD22      LEU  14  -9.207  -1.924   6.363
   88   3HD2  LEU  14          HD21      LEU  14 -10.550  -2.198   7.472
   89    H    GLN  15           HN       GLN  15 -10.775  -2.598   1.925
   90    HA   GLN  15           HA       GLN  15 -12.119  -4.583   0.343
   91   1HB   GLN  15           HB2      GLN  15 -10.476  -2.219  -0.611
   92   2HB   GLN  15           HB1      GLN  15 -11.625  -3.128  -1.587
   93   1HG   GLN  15           HG2      GLN  15 -12.223  -1.447   0.856
   94   2HG   GLN  15           HG1      GLN  15 -12.786  -1.183  -0.795
   95   1HE2  GLN  15          HE22      GLN  15 -14.935  -4.229  -0.532
   96   2HE2  GLN  15          HE21      GLN  15 -13.675  -3.729  -1.552
   97    H    ALA  16           HN       ALA  16  -8.699  -3.783   0.699
   98    HA   ALA  16           HA       ALA  16  -7.647  -5.304  -1.404
   99   1HB   ALA  16           HB2      ALA  16  -6.639  -4.271   1.138
  100   2HB   ALA  16           HB1      ALA  16  -5.793  -5.697   0.545
  101   3HB   ALA  16           HB3      ALA  16  -5.884  -4.247  -0.453
  102    H    SER  17           HN       SER  17  -7.113  -6.492   1.736
  103    HA   SER  17           HA       SER  17  -7.459  -9.243   0.845
  104   1HB   SER  17           HB2      SER  17  -7.135  -9.719   3.341
  105   2HB   SER  17           HB1      SER  17  -5.799  -8.911   2.528
  106    HG   SER  17           HG       SER  17  -6.827  -8.067   4.651
  107    H    ALA  18           HN       ALA  18  -9.722  -9.161   0.141
  108    HA   ALA  18           HA       ALA  18 -11.614  -9.099   2.479
  109   1HB   ALA  18           HB2      ALA  18 -11.716  -7.798  -0.151
  110   2HB   ALA  18           HB1      ALA  18 -13.195  -8.665   0.265
  111   3HB   ALA  18           HB3      ALA  18 -12.581  -7.404   1.334
  112    H    THR  19           HN       THR  19 -12.482 -10.052  -0.770
  113    HA   THR  19           HA       THR  19 -12.149 -12.862  -0.574
  114    HB   THR  19           HB       THR  19 -13.675 -12.837   1.292
  115    HG1  THR  19           HG1      THR  19 -14.056 -14.241  -0.713
  116   1HG2  THR  19          HG22      THR  19 -14.604 -10.514   0.404
  117   2HG2  THR  19          HG21      THR  19 -15.845 -11.545  -0.307
  118   3HG2  THR  19          HG23      THR  19 -15.590 -11.548   1.438
  119    H    GLU  20           HN       GLU  20 -14.648 -10.481  -1.603
  120    HA   GLU  20           HA       GLU  20 -15.417 -11.812  -3.987
  121   1HB   GLU  20           HB2      GLU  20 -15.791  -9.258  -4.757
  122   2HB   GLU  20           HB1      GLU  20 -16.891 -10.095  -3.688
  123   1HG   GLU  20           HG2      GLU  20 -16.267  -7.839  -2.831
  124   2HG   GLU  20           HG1      GLU  20 -15.809  -9.126  -1.725
  125    H    TYR  21           HN       TYR  21 -14.130  -8.876  -4.993
  126    HA   TYR  21           HA       TYR  21 -12.294 -10.216  -6.710
  127   1HB   TYR  21           HB2      TYR  21 -11.729  -7.790  -7.242
  128   2HB   TYR  21           HB1      TYR  21 -13.319  -8.315  -7.680
  129    HD1  TYR  21           HD1      TYR  21 -11.300  -6.328  -5.314
  130    HD2  TYR  21           HD2      TYR  21 -15.264  -7.452  -6.529
  131    HE1  TYR  21           HE1      TYR  21 -12.240  -4.507  -3.922
  132    HE2  TYR  21           HE2      TYR  21 -16.205  -5.634  -5.134
  133    HH   TYR  21           HH       TYR  21 -15.079  -3.228  -4.248
  134    H    ILE  22           HN       ILE  22 -12.254  -9.589  -3.507
  135    HA   ILE  22           HA       ILE  22 -10.664  -9.259  -1.869
  136    HB   ILE  22           HB       ILE  22  -9.932 -11.414  -2.903
  137   1HG1  ILE  22          HG12      ILE  22  -7.328 -10.351  -2.249
  138   2HG1  ILE  22          HG11      ILE  22  -8.541  -9.689  -1.170
  139   1HG2  ILE  22          HG22      ILE  22  -8.230  -9.532  -4.536
  140   2HG2  ILE  22          HG21      ILE  22  -7.771 -11.212  -4.280
  141   3HG2  ILE  22          HG23      ILE  22  -9.280 -10.828  -5.103
  142   1HD1  ILE  22          HD11      ILE  22  -9.331 -12.275  -1.213
  143   2HD1  ILE  22          HD13      ILE  22  -7.598 -12.484  -1.465
  144   3HD1  ILE  22          HD12      ILE  22  -8.185 -11.640  -0.032
  145    H    GLY  23           HN       GLY  23 -11.107  -6.929  -3.404
  146   1HA   GLY  23           HA2      GLY  23 -10.036  -4.926  -4.140
  147   2HA   GLY  23           HA1      GLY  23  -9.200  -5.141  -2.602
  148    H    TYR  24           HN       TYR  24  -8.850  -7.381  -5.244
  149    HA   TYR  24           HA       TYR  24  -6.892  -8.160  -6.245
  150   1HB   TYR  24           HB2      TYR  24  -7.676  -5.839  -7.364
  151   2HB   TYR  24           HB1      TYR  24  -6.055  -5.382  -6.828
  152    HD1  TYR  24           HD1      TYR  24  -7.664  -8.468  -8.202
  153    HD2  TYR  24           HD2      TYR  24  -4.420  -5.672  -8.439
  154    HE1  TYR  24           HE1      TYR  24  -6.664  -9.794 -10.033
  155    HE2  TYR  24           HE2      TYR  24  -3.418  -6.992 -10.274
  156    HH   TYR  24           HH       TYR  24  -3.552  -8.844 -11.498
  157    H    ALA  25           HN       ALA  25  -6.397  -8.205  -3.637
  158    HA   ALA  25           HA       ALA  25  -3.665  -7.019  -3.407
  159   1HB   ALA  25           HB2      ALA  25  -5.855  -6.484  -1.757
  160   2HB   ALA  25           HB1      ALA  25  -4.926  -7.684  -0.857
  161   3HB   ALA  25           HB3      ALA  25  -4.163  -6.177  -1.365
  162    H    TRP  26           HN       TRP  26  -5.777  -9.748  -2.949
  163    HA   TRP  26           HA       TRP  26  -4.419 -11.543  -1.418
  164   1HB   TRP  26           HB2      TRP  26  -5.641 -13.182  -2.474
  165   2HB   TRP  26           HB1      TRP  26  -6.497 -11.773  -3.073
  166    HD1  TRP  26           HD1      TRP  26  -5.078 -14.826  -4.262
  167    HE1  TRP  26           HE1      TRP  26  -4.587 -14.776  -6.761
  168    HE3  TRP  26           HE3      TRP  26  -5.295  -9.777  -5.162
  169    HZ2  TRP  26           HZ2      TRP  26  -4.291 -12.911  -8.870
  170    HZ3  TRP  26           HZ3      TRP  26  -4.890  -8.917  -7.441
  171    HH2  TRP  26           HH2      TRP  26  -4.385 -10.483  -9.292
  172    H    ALA  27           HN       ALA  27  -3.314 -10.313  -4.497
  173    HA   ALA  27           HA       ALA  27  -0.856 -11.942  -4.147
  174   1HB   ALA  27           HB1      ALA  27  -2.508 -11.495  -6.620
  175   2HB   ALA  27           HB3      ALA  27  -0.777 -11.806  -6.756
  176   3HB   ALA  27           HB2      ALA  27  -1.830 -13.001  -6.000
  177    H    MET  28           HN       MET  28  -2.063  -9.280  -6.191
  178    HA   MET  28           HA       MET  28   0.296  -7.959  -6.598
  179   1HB   MET  28           HB2      MET  28  -2.520  -6.944  -6.349
  180   2HB   MET  28           HB1      MET  28  -1.182  -5.867  -6.746
  181   1HG   MET  28           HG2      MET  28  -1.937  -8.364  -8.293
  182   2HG   MET  28           HG1      MET  28  -2.286  -6.709  -8.793
  183   1HE   MET  28           HE3      MET  28  -0.998  -9.123 -10.001
  184   2HE   MET  28           HE2      MET  28   0.488  -8.680 -10.836
  185   3HE   MET  28           HE1      MET  28   0.575  -9.536  -9.299
  186    H    VAL  29           HN       VAL  29  -1.669  -8.014  -3.690
  187    HA   VAL  29           HA       VAL  29  -0.617  -5.678  -2.435
  188    HB   VAL  29           HB       VAL  29  -2.541  -7.343  -1.690
  189   1HG1  VAL  29          HG12      VAL  29  -1.044  -9.285  -1.324
  190   2HG1  VAL  29          HG11      VAL  29  -0.151  -8.364  -0.117
  191   3HG1  VAL  29          HG13      VAL  29  -1.833  -8.802   0.175
  192   1HG2  VAL  29          HG23      VAL  29  -1.468  -5.143  -0.618
  193   2HG2  VAL  29          HG22      VAL  29  -2.670  -6.100   0.248
  194   3HG2  VAL  29          HG21      VAL  29  -0.956  -6.298   0.612
  195    H    VAL  30           HN       VAL  30   0.505  -9.061  -2.310
  196    HA   VAL  30           HA       VAL  30   2.759  -8.573  -0.627
  197    HB   VAL  30           HB       VAL  30   2.536 -10.667  -2.811
  198   1HG1  VAL  30          HG11      VAL  30   4.761 -10.240  -1.625
  199   2HG1  VAL  30          HG13      VAL  30   3.971 -10.804  -0.153
  200   3HG1  VAL  30          HG12      VAL  30   4.141 -11.888  -1.533
  201   1HG2  VAL  30          HG21      VAL  30   0.839 -10.264  -0.585
  202   2HG2  VAL  30          HG23      VAL  30   0.936 -11.702  -1.602
  203   3HG2  VAL  30          HG22      VAL  30   1.915 -11.589  -0.139
  204    H    VAL  31           HN       VAL  31   2.643  -9.007  -4.191
  205    HA   VAL  31           HA       VAL  31   5.284  -8.297  -4.776
  206    HB   VAL  31           HB       VAL  31   2.702  -7.720  -6.252
  207   1HG1  VAL  31          HG11      VAL  31   5.433  -6.700  -6.763
  208   2HG1  VAL  31          HG13      VAL  31   4.642  -7.445  -8.152
  209   3HG1  VAL  31          HG12      VAL  31   3.878  -6.087  -7.326
  210   1HG2  VAL  31          HG22      VAL  31   3.946 -10.062  -5.918
  211   2HG2  VAL  31          HG21      VAL  31   3.186  -9.641  -7.453
  212   3HG2  VAL  31          HG23      VAL  31   4.929  -9.454  -7.251
  213    H    ILE  32           HN       ILE  32   2.625  -6.294  -3.715
  214    HA   ILE  32           HA       ILE  32   3.848  -3.768  -4.337
  215    HB   ILE  32           HB       ILE  32   1.413  -4.647  -3.213
  216   1HG1  ILE  32          HG12      ILE  32   2.428  -1.895  -3.880
  217   2HG1  ILE  32          HG11      ILE  32   1.636  -3.010  -4.994
  218   1HG2  ILE  32          HG23      ILE  32   2.893  -2.770  -1.394
  219   2HG2  ILE  32          HG22      ILE  32   1.133  -2.885  -1.412
  220   3HG2  ILE  32          HG21      ILE  32   2.102  -4.287  -0.962
  221   1HD1  ILE  32          HD12      ILE  32   0.320  -2.024  -2.456
  222   2HD1  ILE  32          HD11      ILE  32   0.134  -1.208  -4.008
  223   3HD1  ILE  32          HD13      ILE  32  -0.439  -2.864  -3.809
  224    H    VAL  33           HN       VAL  33   3.510  -5.482  -1.190
  225    HA   VAL  33           HA       VAL  33   5.049  -3.816   0.367
  226    HB   VAL  33           HB       VAL  33   5.151  -6.854   0.324
  227   1HG1  VAL  33          HG13      VAL  33   6.873  -5.108   1.661
  228   2HG1  VAL  33          HG12      VAL  33   5.664  -5.532   2.873
  229   3HG1  VAL  33          HG11      VAL  33   6.587  -6.800   2.067
  230   1HG2  VAL  33          HG22      VAL  33   2.964  -5.444   0.762
  231   2HG2  VAL  33          HG21      VAL  33   3.356  -6.804   1.814
  232   3HG2  VAL  33          HG23      VAL  33   3.705  -5.156   2.336
  233    H    GLY  34           HN       GLY  34   6.166  -5.871  -2.236
  234   1HA   GLY  34           HA2      GLY  34   8.981  -5.622  -1.617
  235   2HA   GLY  34           HA1      GLY  34   8.310  -5.938  -3.229
  236    H    ALA  35           HN       ALA  35   6.803  -3.898  -3.850
  237    HA   ALA  35           HA       ALA  35   8.589  -1.737  -4.423
  238   1HB   ALA  35           HB3      ALA  35   6.317  -2.489  -5.541
  239   2HB   ALA  35           HB2      ALA  35   5.619  -1.337  -4.403
  240   3HB   ALA  35           HB1      ALA  35   6.812  -0.797  -5.584
  241    H    THR  36           HN       THR  36   5.732  -1.780  -2.091
  242    HA   THR  36           HA       THR  36   6.117   0.815  -1.085
  243    HB   THR  36           HB       THR  36   5.289  -1.648   0.483
  244    HG1  THR  36           HG1      THR  36   3.315  -1.275  -0.289
  245   1HG2  THR  36          HG22      THR  36   4.824   1.309   0.959
  246   2HG2  THR  36          HG21      THR  36   4.090   0.006   1.895
  247   3HG2  THR  36          HG23      THR  36   5.837   0.245   1.935
  248    H    ILE  37           HN       ILE  37   7.345  -2.148   0.479
  249    HA   ILE  37           HA       ILE  37   9.054  -0.870   2.340
  250    HB   ILE  37           HB       ILE  37   9.339  -3.557   0.979
  251   1HG1  ILE  37          HG12      ILE  37   7.256  -3.079   2.362
  252   2HG1  ILE  37          HG11      ILE  37   8.231  -4.434   2.934
  253   1HG2  ILE  37          HG23      ILE  37  10.986  -2.139   2.993
  254   2HG2  ILE  37          HG22      ILE  37  10.570  -3.803   3.401
  255   3HG2  ILE  37          HG21      ILE  37  11.428  -3.451   1.901
  256   1HD1  ILE  37          HD11      ILE  37   8.443  -1.607   4.011
  257   2HD1  ILE  37          HD13      ILE  37   7.517  -2.898   4.779
  258   3HD1  ILE  37          HD12      ILE  37   9.269  -3.036   4.634
  259    H    GLY  38           HN       GLY  38   9.410  -1.231  -1.051
  260   1HA   GLY  38           HA2      GLY  38  12.299  -1.068  -1.175
  261   2HA   GLY  38           HA1      GLY  38  11.195  -0.782  -2.524
  262    H    ILE  39           HN       ILE  39   9.814   1.300  -2.148
  263    HA   ILE  39           HA       ILE  39  11.655   3.515  -1.958
  264    HB   ILE  39           HB       ILE  39   8.633   3.341  -2.132
  265   1HG1  ILE  39          HG12      ILE  39   9.316   4.502  -4.392
  266   2HG1  ILE  39          HG11      ILE  39  10.903   3.811  -4.046
  267   1HG2  ILE  39          HG21      ILE  39  10.461   5.747  -1.986
  268   2HG2  ILE  39          HG23      ILE  39   8.844   5.829  -2.686
  269   3HG2  ILE  39          HG22      ILE  39   9.049   5.396  -0.989
  270   1HD1  ILE  39          HD12      ILE  39   8.695   1.918  -3.642
  271   2HD1  ILE  39          HD11      ILE  39   8.843   2.478  -5.307
  272   3HD1  ILE  39          HD13      ILE  39  10.213   1.703  -4.512
  273    H    LYS  40           HN       LYS  40  10.136   1.583   0.364
  274    HA   LYS  40           HA       LYS  40   9.581   3.683   2.328
  275   1HB   LYS  40           HB2      LYS  40   8.578   1.301   2.246
  276   2HB   LYS  40           HB1      LYS  40  10.095   0.780   2.981
  277   1HG   LYS  40           HG2      LYS  40   8.659   1.191   4.823
  278   2HG   LYS  40           HG1      LYS  40   9.674   2.630   4.725
  279   1HD   LYS  40           HD2      LYS  40   7.785   3.852   4.598
  280   2HD   LYS  40           HD1      LYS  40   7.524   3.151   3.001
  281   1HE   LYS  40           HE2      LYS  40   6.181   1.384   3.890
  282   2HE   LYS  40           HE1      LYS  40   6.656   1.768   5.546
  283   1HZ   LYS  40           HZ3      LYS  40   5.553   4.042   4.266
  284   2HZ   LYS  40           HZ2      LYS  40   4.469   2.737   4.174
  285   3HZ   LYS  40           HZ1      LYS  40   5.046   3.262   5.684
  286    H    LEU  41           HN       LEU  41  11.945   1.002   2.519
  287    HA   LEU  41           HA       LEU  41  13.586   2.349   4.444
  288   1HB   LEU  41           HB2      LEU  41  13.851  -0.068   2.710
  289   2HB   LEU  41           HB1      LEU  41  15.329   0.603   3.401
  290    HG   LEU  41           HG       LEU  41  14.213   0.560   5.655
  291   1HD1  LEU  41          HD11      LEU  41  12.068  -0.742   3.980
  292   2HD1  LEU  41          HD13      LEU  41  12.218  -1.102   5.700
  293   3HD1  LEU  41          HD12      LEU  41  11.902   0.550   5.169
  294   1HD2  LEU  41          HD23      LEU  41  15.515  -1.439   4.304
  295   2HD2  LEU  41          HD22      LEU  41  15.042  -1.538   6.000
  296   3HD2  LEU  41          HD21      LEU  41  14.015  -2.250   4.755
  297    H    PHE  42           HN       PHE  42  13.432   2.476   0.959
  298    HA   PHE  42           HA       PHE  42  16.073   3.610   0.573
  299   1HB   PHE  42           HB2      PHE  42  13.586   3.396  -1.113
  300   2HB   PHE  42           HB1      PHE  42  14.945   4.385  -1.647
  301    HD1  PHE  42           HD1      PHE  42  15.517   1.427   0.451
  302    HD2  PHE  42           HD2      PHE  42  15.382   2.910  -3.579
  303    HE1  PHE  42           HE1      PHE  42  16.691  -0.610  -0.337
  304    HE2  PHE  42           HE2      PHE  42  16.558   0.873  -4.366
  305    HZ   PHE  42           HZ       PHE  42  17.212  -0.887  -2.745
  306    H    LYS  43           HN       LYS  43  12.814   5.090   0.347
  307    HA   LYS  43           HA       LYS  43  13.925   7.778   0.500
  308   1HB   LYS  43           HB2      LYS  43  11.558   6.748  -0.407
  309   2HB   LYS  43           HB1      LYS  43  11.066   7.407   1.153
  310   1HG   LYS  43           HG2      LYS  43  11.841   9.597   0.580
  311   2HG   LYS  43           HG1      LYS  43  12.693   8.996  -0.843
  312   1HD   LYS  43           HD2      LYS  43  10.658  10.003  -1.634
  313   2HD   LYS  43           HD1      LYS  43  10.437   8.256  -1.746
  314   1HE   LYS  43           HE2      LYS  43   8.907   8.197  -0.026
  315   2HE   LYS  43           HE1      LYS  43   9.636   9.569   0.809
  316   1HZ   LYS  43           HZ3      LYS  43   8.519  10.193  -1.780
  317   2HZ   LYS  43           HZ2      LYS  43   7.373   9.690  -0.629
  318   3HZ   LYS  43           HZ1      LYS  43   8.377  11.023  -0.308
  319    H    LYS  44           HN       LYS  44  13.682   5.444   2.810
  320    HA   LYS  44           HA       LYS  44  12.581   6.995   5.006
  321   1HB   LYS  44           HB2      LYS  44  13.590   4.306   4.578
  322   2HB   LYS  44           HB1      LYS  44  14.220   4.988   6.078
  323   1HG   LYS  44           HG2      LYS  44  11.291   4.960   5.294
  324   2HG   LYS  44           HG1      LYS  44  12.043   3.825   6.413
  325   1HD   LYS  44           HD2      LYS  44  12.834   6.365   7.315
  326   2HD   LYS  44           HD1      LYS  44  11.125   6.532   6.906
  327   1HE   LYS  44           HE2      LYS  44  10.534   5.385   8.745
  328   2HE   LYS  44           HE1      LYS  44  11.539   4.023   8.253
  329   1HZ   LYS  44           HZ1      LYS  44  13.467   5.229   9.180
  330   2HZ   LYS  44           HZ3      LYS  44  12.414   6.422   9.766
  331   3HZ   LYS  44           HZ2      LYS  44  12.304   4.832  10.354
  332    H    PHE  45           HN       PHE  45  15.643   6.878   3.430
  333    HA   PHE  45           HA       PHE  45  16.827   8.418   5.709
  334   1HB   PHE  45           HB2      PHE  45  17.789   6.042   4.471
  335   2HB   PHE  45           HB1      PHE  45  18.871   7.354   4.000
  336    HD1  PHE  45           HD2      PHE  45  18.642   9.146   6.359
  337    HD2  PHE  45           HD1      PHE  45  19.017   4.873   6.126
  338    HE1  PHE  45           HE2      PHE  45  19.669   9.113   8.615
  339    HE2  PHE  45           HE1      PHE  45  20.045   4.840   8.382
  340    HZ   PHE  45           HZ       PHE  45  20.370   6.960   9.627
  341    H    THR  46           HN       THR  46  15.384   9.831   3.880
  342    HA   THR  46           HA       THR  46  15.680  11.822   2.643
  343    HB   THR  46           HB       THR  46  18.591  11.163   2.253
  344    HG1  THR  46           HG1      THR  46  17.459  12.363   4.556
  345   1HG2  THR  46          HG22      THR  46  16.979  13.291   1.542
  346   2HG2  THR  46          HG21      THR  46  17.749  13.861   3.023
  347   3HG2  THR  46          HG23      THR  46  18.738  13.339   1.659
  348    H    SER  47           HN       SER  47  16.074   8.696   1.716
  349    HA   SER  47           HA       SER  47  15.673   7.684  -0.373
  350   1HB   SER  47           HB2      SER  47  14.389   9.920  -0.749
  351   2HB   SER  47           HB1      SER  47  15.798  10.385  -1.696
  352    HG   SER  47           HG       SER  47  15.467   8.306  -2.801
  353    H    LYS  48           HN       LYS  48  18.368   9.437   0.508
  354    HA   LYS  48           HA       LYS  48  19.967   8.098  -1.585
  355   1HB   LYS  48           HB2      LYS  48  19.955  11.099  -1.176
  356   2HB   LYS  48           HB1      LYS  48  21.196  10.234  -2.083
  357   1HG   LYS  48           HG2      LYS  48  18.243  10.037  -2.722
  358   2HG   LYS  48           HG1      LYS  48  19.323  11.195  -3.497
  359   1HD   LYS  48           HD2      LYS  48  20.549   9.529  -4.585
  360   2HD   LYS  48           HD1      LYS  48  20.056   8.282  -3.440
  361   1HE   LYS  48           HE2      LYS  48  17.642   9.111  -4.486
  362   2HE   LYS  48           HE1      LYS  48  18.715   9.209  -5.881
  363   1HZ   LYS  48           HZ2      LYS  48  19.113   6.839  -4.311
  364   2HZ   LYS  48           HZ1      LYS  48  17.543   6.949  -4.952
  365   3HZ   LYS  48           HZ3      LYS  48  18.885   7.005  -5.986
  366    H    ALA  49           HN       ALA  49  19.551   8.360   1.511
  367    HA   ALA  49           HA       ALA  49  22.467   8.623   2.128
  368   1HB   ALA  49           HB2      ALA  49  20.922  10.407   3.116
  369   2HB   ALA  49           HB1      ALA  49  20.228   9.118   4.100
  370   3HB   ALA  49           HB3      ALA  49  21.933   9.536   4.269
  371    H    SER  50           HN       SER  50  19.954   6.472   1.843
  372    HA   SER  50           HA       SER  50  20.062   4.833   4.123
  373   1HB   SER  50           HB2      SER  50  19.993   3.620   1.375
  374   2HB   SER  50           HB1      SER  50  19.092   3.150   2.813
  375    HG   SER  50           HG       SER  50  18.192   5.422   2.543
   
  No H/Q in entry =         375
  Start of MODEL    8
    1   1H    ALA   1           HT2      ALA   1 -20.414   8.795  -9.692
    2   2H    ALA   1           HT1      ALA   1 -21.555   8.398 -10.887
    3   3H    ALA   1           HT3      ALA   1 -20.426   7.240 -10.378
    4    HA   ALA   1           HA       ALA   1 -19.286   7.860 -12.190
    5   1HB   ALA   1           HB1      ALA   1 -21.376   9.792 -12.252
    6   2HB   ALA   1           HB3      ALA   1 -19.859  10.656 -12.499
    7   3HB   ALA   1           HB2      ALA   1 -20.299   9.324 -13.568
    8    H    GLU   2           HN       GLU   2 -17.821  10.152 -12.698
    9    HA   GLU   2           HA       GLU   2 -15.807  11.114 -11.942
   10   1HB   GLU   2           HB2      GLU   2 -18.024  11.987 -10.279
   11   2HB   GLU   2           HB1      GLU   2 -16.513  11.992  -9.369
   12   1HG   GLU   2           HG2      GLU   2 -15.755  13.792 -10.493
   13   2HG   GLU   2           HG1      GLU   2 -16.118  13.041 -12.048
   14    H    GLY   3           HN       GLY   3 -14.639  11.312  -9.445
   15   1HA   GLY   3           HA2      GLY   3 -14.665   9.246  -7.631
   16   2HA   GLY   3           HA1      GLY   3 -13.798   8.548  -9.001
   17    H    ASP   4           HN       ASP   4 -13.721  11.133  -6.594
   18    HA   ASP   4           HA       ASP   4 -10.823  11.018  -6.490
   19   1HB   ASP   4           HB2      ASP   4 -11.809  12.654  -8.487
   20   2HB   ASP   4           HB1      ASP   4 -11.589  13.778  -7.146
   21    H    ASP   5           HN       ASP   5 -11.587  10.592  -4.274
   22    HA   ASP   5           HA       ASP   5 -12.096  13.146  -2.819
   23   1HB   ASP   5           HB2      ASP   5 -13.720  10.672  -2.836
   24   2HB   ASP   5           HB1      ASP   5 -13.377  11.331  -1.236
   25    HA   PRO   6           HA       PRO   6  -8.936  11.764  -0.122
   26   1HB   PRO   6           HB2      PRO   6  -9.766  12.869   2.254
   27   2HB   PRO   6           HB1      PRO   6  -9.073  13.814   0.924
   28   1HG   PRO   6           HG2      PRO   6 -11.924  13.633   1.804
   29   2HG   PRO   6           HG1      PRO   6 -11.099  14.944   0.943
   30   1HD   PRO   6           HD2      PRO   6 -12.811  13.002  -0.226
   31   2HD   PRO   6           HD1      PRO   6 -11.747  14.124  -1.101
   32    H    ALA   7           HN       ALA   7 -12.252  10.993   0.710
   33    HA   ALA   7           HA       ALA   7 -11.623   9.217   2.912
   34   1HB   ALA   7           HB1      ALA   7 -13.956  10.288   1.781
   35   2HB   ALA   7           HB3      ALA   7 -14.087   8.549   1.521
   36   3HB   ALA   7           HB2      ALA   7 -13.866   9.183   3.151
   37    H    LYS   8           HN       LYS   8 -11.472   8.925  -0.524
   38    HA   LYS   8           HA       LYS   8 -11.845   6.065  -0.705
   39   1HB   LYS   8           HB2      LYS   8 -11.237   8.234  -2.491
   40   2HB   LYS   8           HB1      LYS   8 -10.079   6.929  -2.758
   41   1HG   LYS   8           HG2      LYS   8 -11.874   5.325  -3.074
   42   2HG   LYS   8           HG1      LYS   8 -13.082   6.537  -2.642
   43   1HD   LYS   8           HD2      LYS   8 -13.205   7.061  -4.831
   44   2HD   LYS   8           HD1      LYS   8 -11.579   7.730  -4.683
   45   1HE   LYS   8           HE2      LYS   8 -10.713   5.360  -5.073
   46   2HE   LYS   8           HE1      LYS   8 -12.360   4.936  -5.537
   47   1HZ   LYS   8           HZ1      LYS   8 -11.529   7.324  -6.823
   48   2HZ   LYS   8           HZ3      LYS   8 -10.425   6.076  -7.134
   49   3HZ   LYS   8           HZ2      LYS   8 -12.069   5.866  -7.511
   50    H    ALA   9           HN       ALA   9  -9.052   8.151  -0.124
   51    HA   ALA   9           HA       ALA   9  -6.994   6.233  -0.451
   52   1HB   ALA   9           HB3      ALA   9  -7.188   8.879   0.473
   53   2HB   ALA   9           HB2      ALA   9  -6.475   7.974   1.808
   54   3HB   ALA   9           HB1      ALA   9  -5.708   7.954   0.221
   55    H    ALA  10           HN       ALA  10  -8.397   7.260   2.692
   56    HA   ALA  10           HA       ALA  10  -7.272   5.148   4.194
   57   1HB   ALA  10           HB1      ALA  10  -8.357   7.103   5.227
   58   2HB   ALA  10           HB3      ALA  10  -9.923   6.532   4.661
   59   3HB   ALA  10           HB2      ALA  10  -9.023   5.598   5.857
   60    H    PHE  11           HN       PHE  11 -10.329   5.243   2.356
   61    HA   PHE  11           HA       PHE  11 -11.490   2.864   3.238
   62   1HB   PHE  11           HB2      PHE  11 -11.954   4.563   1.111
   63   2HB   PHE  11           HB1      PHE  11 -11.475   3.069   0.301
   64    HD1  PHE  11           HD1      PHE  11 -13.735   4.382   2.976
   65    HD2  PHE  11           HD2      PHE  11 -12.998   1.273   0.105
   66    HE1  PHE  11           HE1      PHE  11 -15.952   3.397   3.478
   67    HE2  PHE  11           HE2      PHE  11 -15.218   0.288   0.606
   68    HZ   PHE  11           HZ       PHE  11 -16.696   1.350   2.291
   69    H    ASP  12           HN       ASP  12  -8.894   3.233   0.804
   70    HA   ASP  12           HA       ASP  12  -8.590   0.374   0.429
   71   1HB   ASP  12           HB2      ASP  12  -6.634   0.918  -0.863
   72   2HB   ASP  12           HB1      ASP  12  -7.822   2.177  -1.198
   73    H    SER  13           HN       SER  13  -7.252   2.743   2.648
   74    HA   SER  13           HA       SER  13  -5.189   0.937   3.672
   75   1HB   SER  13           HB2      SER  13  -5.677   3.682   3.804
   76   2HB   SER  13           HB1      SER  13  -5.924   3.118   5.454
   77    HG   SER  13           HG       SER  13  -3.640   3.020   3.825
   78    H    LEU  14           HN       LEU  14  -7.710   2.597   5.611
   79    HA   LEU  14           HA       LEU  14  -7.859   0.840   7.733
   80   1HB   LEU  14           HB2      LEU  14 -10.147   1.560   8.104
   81   2HB   LEU  14           HB1      LEU  14  -9.244   2.932   7.464
   82    HG   LEU  14           HG       LEU  14 -10.080   1.995   5.142
   83   1HD1  LEU  14          HD13      LEU  14 -11.445   0.335   7.049
   84   2HD1  LEU  14          HD12      LEU  14 -12.628   1.317   6.184
   85   3HD1  LEU  14          HD11      LEU  14 -11.521   0.275   5.288
   86   1HD2  LEU  14          HD22      LEU  14 -11.406   3.718   7.181
   87   2HD2  LEU  14          HD21      LEU  14 -10.827   4.133   5.567
   88   3HD2  LEU  14          HD23      LEU  14 -12.357   3.277   5.762
   89    H    GLN  15           HN       GLN  15  -9.357   0.384   4.536
   90    HA   GLN  15           HA       GLN  15 -10.706  -2.069   5.283
   91   1HB   GLN  15           HB2      GLN  15 -11.266  -0.583   3.281
   92   2HB   GLN  15           HB1      GLN  15  -9.849  -1.276   2.491
   93   1HG   GLN  15           HG2      GLN  15 -11.527  -2.720   1.764
   94   2HG   GLN  15           HG1      GLN  15 -10.941  -3.565   3.197
   95   1HE2  GLN  15          HE22      GLN  15 -13.872  -2.864   5.127
   96   2HE2  GLN  15          HE21      GLN  15 -12.226  -3.262   5.234
   97    H    ALA  16           HN       ALA  16  -7.697  -1.323   3.515
   98    HA   ALA  16           HA       ALA  16  -6.730  -3.812   2.912
   99   1HB   ALA  16           HB1      ALA  16  -5.535  -1.264   3.564
  100   2HB   ALA  16           HB3      ALA  16  -4.519  -2.613   4.070
  101   3HB   ALA  16           HB2      ALA  16  -5.008  -2.462   2.383
  102    H    SER  17           HN       SER  17  -5.564  -2.356   5.766
  103    HA   SER  17           HA       SER  17  -5.288  -4.961   7.086
  104   1HB   SER  17           HB2      SER  17  -4.987  -2.603   8.799
  105   2HB   SER  17           HB1      SER  17  -3.824  -3.878   8.443
  106    HG   SER  17           HG       SER  17  -2.903  -2.431   7.233
  107    H    ALA  18           HN       ALA  18  -7.670  -5.427   6.961
  108    HA   ALA  18           HA       ALA  18  -9.120  -4.029   9.190
  109   1HB   ALA  18           HB3      ALA  18  -9.979  -3.478   6.887
  110   2HB   ALA  18           HB2      ALA  18 -10.413  -5.178   6.708
  111   3HB   ALA  18           HB1      ALA  18 -11.182  -4.199   7.957
  112    H    THR  19           HN       THR  19  -7.707  -6.251   9.878
  113    HA   THR  19           HA       THR  19  -7.861  -8.554  10.511
  114    HB   THR  19           HB       THR  19  -8.618  -7.724  12.514
  115    HG1  THR  19           HG1      THR  19  -9.803  -9.396  12.870
  116   1HG2  THR  19          HG22      THR  19 -10.978  -6.584  10.997
  117   2HG2  THR  19          HG21      THR  19 -10.765  -6.451  12.742
  118   3HG2  THR  19          HG23      THR  19  -9.607  -5.689  11.651
  119    H    GLU  20           HN       GLU  20 -11.391  -8.321  10.547
  120    HA   GLU  20           HA       GLU  20 -12.307 -10.635   9.642
  121   1HB   GLU  20           HB2      GLU  20 -13.993  -9.454   8.124
  122   2HB   GLU  20           HB1      GLU  20 -13.937  -8.953   9.810
  123   1HG   GLU  20           HG2      GLU  20 -12.153  -7.532   7.890
  124   2HG   GLU  20           HG1      GLU  20 -13.876  -7.177   7.821
  125    H    TYR  21           HN       TYR  21 -12.804  -9.100   6.730
  126    HA   TYR  21           HA       TYR  21 -11.377 -11.141   5.347
  127   1HB   TYR  21           HB2      TYR  21 -12.150  -9.725   3.388
  128   2HB   TYR  21           HB1      TYR  21 -13.399 -10.489   4.311
  129    HD1  TYR  21           HD2      TYR  21 -11.660  -7.319   3.562
  130    HD2  TYR  21           HD1      TYR  21 -14.927  -9.181   5.636
  131    HE1  TYR  21           HE2      TYR  21 -12.668  -5.093   3.966
  132    HE2  TYR  21           HE1      TYR  21 -15.937  -6.959   6.038
  133    HH   TYR  21           HH       TYR  21 -15.682  -4.545   4.657
  134    H    ILE  22           HN       ILE  22 -10.524  -8.351   6.902
  135    HA   ILE  22           HA       ILE  22  -8.769  -6.849   6.761
  136    HB   ILE  22           HB       ILE  22  -7.552  -8.850   7.355
  137   1HG1  ILE  22          HG12      ILE  22  -5.879  -7.773   5.119
  138   2HG1  ILE  22          HG11      ILE  22  -6.403  -6.664   6.382
  139   1HG2  ILE  22          HG22      ILE  22  -7.503  -9.399   4.377
  140   2HG2  ILE  22          HG21      ILE  22  -6.562 -10.287   5.572
  141   3HG2  ILE  22          HG23      ILE  22  -8.317 -10.354   5.612
  142   1HD1  ILE  22          HD13      ILE  22  -5.203  -9.309   7.142
  143   2HD1  ILE  22          HD12      ILE  22  -4.150  -7.970   6.685
  144   3HD1  ILE  22          HD11      ILE  22  -5.244  -7.802   8.058
  145    H    GLY  23           HN       GLY  23 -10.422  -6.220   4.733
  146   1HA   GLY  23           HA2      GLY  23 -10.547  -5.447   2.480
  147   2HA   GLY  23           HA1      GLY  23  -9.084  -4.612   2.990
  148    H    TYR  24           HN       TYR  24  -9.350  -8.089   2.609
  149    HA   TYR  24           HA       TYR  24  -7.875  -9.511   1.502
  150   1HB   TYR  24           HB2      TYR  24  -9.943  -8.879   0.059
  151   2HB   TYR  24           HB1      TYR  24  -8.757  -8.011  -0.926
  152    HD1  TYR  24           HD1      TYR  24  -6.989  -9.133  -1.983
  153    HD2  TYR  24           HD2      TYR  24  -9.846 -11.301   0.302
  154    HE1  TYR  24           HE1      TYR  24  -6.120 -11.233  -2.942
  155    HE2  TYR  24           HE2      TYR  24  -9.006 -13.433  -0.651
  156    HH   TYR  24           HH       TYR  24  -7.149 -14.352  -1.748
  157    H    ALA  25           HN       ALA  25  -6.428  -7.318   2.470
  158    HA   ALA  25           HA       ALA  25  -4.472  -6.872   0.277
  159   1HB   ALA  25           HB1      ALA  25  -5.790  -4.891   1.568
  160   2HB   ALA  25           HB3      ALA  25  -4.438  -5.109   2.680
  161   3HB   ALA  25           HB2      ALA  25  -4.134  -4.708   0.990
  162    H    TRP  26           HN       TRP  26  -5.115  -8.079   3.445
  163    HA   TRP  26           HA       TRP  26  -2.779  -8.095   4.840
  164   1HB   TRP  26           HB2      TRP  26  -3.594  -9.938   5.956
  165   2HB   TRP  26           HB1      TRP  26  -5.042  -9.450   5.096
  166    HD1  TRP  26           HD1      TRP  26  -3.221 -12.430   5.830
  167    HE1  TRP  26           HE1      TRP  26  -3.625 -14.293   4.119
  168    HE3  TRP  26           HE3      TRP  26  -5.299  -9.710   2.003
  169    HZ2  TRP  26           HZ2      TRP  26  -4.678 -14.616   1.495
  170    HZ3  TRP  26           HZ3      TRP  26  -5.985 -10.852  -0.078
  171    HH2  TRP  26           HH2      TRP  26  -5.679 -13.294  -0.341
  172    H    ALA  27           HN       ALA  27  -3.167  -9.648   1.710
  173    HA   ALA  27           HA       ALA  27  -0.443 -10.819   2.048
  174   1HB   ALA  27           HB1      ALA  27  -2.771 -11.597   0.283
  175   2HB   ALA  27           HB3      ALA  27  -1.134 -12.183  -0.016
  176   3HB   ALA  27           HB2      ALA  27  -1.950 -12.578   1.497
  177    H    MET  28           HN       MET  28  -2.370  -9.776  -0.756
  178    HA   MET  28           HA       MET  28  -0.301  -9.008  -2.372
  179   1HB   MET  28           HB2      MET  28  -2.800  -9.028  -2.908
  180   2HB   MET  28           HB1      MET  28  -2.847  -7.411  -2.202
  181   1HG   MET  28           HG2      MET  28  -0.671  -7.817  -4.148
  182   2HG   MET  28           HG1      MET  28  -2.290  -7.930  -4.836
  183   1HE   MET  28           HE3      MET  28  -1.757  -6.106  -6.332
  184   2HE   MET  28           HE2      MET  28  -3.405  -5.799  -5.789
  185   3HE   MET  28           HE1      MET  28  -2.275  -4.457  -5.943
  186    H    VAL  29           HN       VAL  29  -1.993  -6.986  -0.006
  187    HA   VAL  29           HA       VAL  29  -0.743  -4.549  -0.390
  188    HB   VAL  29           HB       VAL  29  -2.481  -5.473   1.446
  189   1HG1  VAL  29          HG12      VAL  29  -0.717  -6.652   2.745
  190   2HG1  VAL  29          HG11      VAL  29   0.108  -5.115   2.999
  191   3HG1  VAL  29          HG13      VAL  29  -1.490  -5.385   3.694
  192   1HG2  VAL  29          HG22      VAL  29  -1.592  -3.059   0.720
  193   2HG2  VAL  29          HG21      VAL  29  -2.607  -3.280   2.145
  194   3HG2  VAL  29          HG23      VAL  29  -0.859  -3.122   2.322
  195    H    VAL  30           HN       VAL  30   0.576  -7.266   1.555
  196    HA   VAL  30           HA       VAL  30   3.021  -5.813   2.165
  197    HB   VAL  30           HB       VAL  30   3.829  -8.010   3.008
  198   1HG1  VAL  30          HG12      VAL  30   2.300  -6.470   4.328
  199   2HG1  VAL  30          HG11      VAL  30   0.961  -7.510   3.841
  200   3HG1  VAL  30          HG13      VAL  30   2.269  -8.161   4.827
  201   1HG2  VAL  30          HG21      VAL  30   2.409  -9.210   1.139
  202   2HG2  VAL  30          HG23      VAL  30   2.644 -10.001   2.696
  203   3HG2  VAL  30          HG22      VAL  30   1.131  -9.164   2.351
  204    H    VAL  31           HN       VAL  31   2.016  -8.078  -0.340
  205    HA   VAL  31           HA       VAL  31   4.547  -8.774  -1.379
  206    HB   VAL  31           HB       VAL  31   1.880  -8.344  -2.756
  207   1HG1  VAL  31          HG12      VAL  31   4.481  -8.557  -3.934
  208   2HG1  VAL  31          HG11      VAL  31   3.613 -10.062  -4.240
  209   3HG1  VAL  31          HG13      VAL  31   2.915  -8.524  -4.746
  210   1HG2  VAL  31          HG21      VAL  31   3.008 -10.421  -1.139
  211   2HG2  VAL  31          HG23      VAL  31   1.442 -10.404  -1.950
  212   3HG2  VAL  31          HG22      VAL  31   2.861 -11.033  -2.787
  213    H    ILE  32           HN       ILE  32   2.410  -6.096  -2.476
  214    HA   ILE  32           HA       ILE  32   4.348  -4.934  -4.186
  215    HB   ILE  32           HB       ILE  32   2.083  -4.308  -4.347
  216   1HG1  ILE  32          HG12      ILE  32   2.652  -1.681  -3.547
  217   2HG1  ILE  32          HG11      ILE  32   4.196  -2.404  -4.002
  218   1HG2  ILE  32          HG22      ILE  32   1.870  -4.483  -1.707
  219   2HG2  ILE  32          HG21      ILE  32   2.081  -2.738  -1.840
  220   3HG2  ILE  32          HG23      ILE  32   0.734  -3.528  -2.660
  221   1HD1  ILE  32          HD12      ILE  32   1.839  -2.858  -5.786
  222   2HD1  ILE  32          HD11      ILE  32   2.635  -1.285  -5.833
  223   3HD1  ILE  32          HD13      ILE  32   3.550  -2.747  -6.198
  224    H    VAL  33           HN       VAL  33   3.466  -3.998  -0.830
  225    HA   VAL  33           HA       VAL  33   5.349  -1.951  -0.557
  226    HB   VAL  33           HB       VAL  33   4.673  -4.074   1.518
  227   1HG1  VAL  33          HG13      VAL  33   6.619  -2.081   1.609
  228   2HG1  VAL  33          HG12      VAL  33   5.242  -1.363   2.445
  229   3HG1  VAL  33          HG11      VAL  33   5.908  -2.899   3.001
  230   1HG2  VAL  33          HG22      VAL  33   2.746  -2.775   0.461
  231   2HG2  VAL  33          HG21      VAL  33   2.892  -2.625   2.212
  232   3HG2  VAL  33          HG23      VAL  33   3.456  -1.322   1.166
  233    H    GLY  34           HN       GLY  34   5.853  -5.355  -0.943
  234   1HA   GLY  34           HA2      GLY  34   8.593  -5.388   0.029
  235   2HA   GLY  34           HA1      GLY  34   7.874  -6.572  -1.078
  236    H    ALA  35           HN       ALA  35   7.049  -5.112  -3.157
  237    HA   ALA  35           HA       ALA  35   9.459  -4.516  -4.598
  238   1HB   ALA  35           HB2      ALA  35   7.355  -5.315  -5.667
  239   2HB   ALA  35           HB1      ALA  35   6.605  -3.763  -5.292
  240   3HB   ALA  35           HB3      ALA  35   7.967  -3.837  -6.409
  241    H    THR  36           HN       THR  36   6.811  -2.281  -3.429
  242    HA   THR  36           HA       THR  36   7.999   0.117  -4.285
  243    HB   THR  36           HB       THR  36   6.553  -0.248  -1.647
  244    HG1  THR  36           HG1      THR  36   4.937  -0.833  -2.825
  245   1HG2  THR  36          HG22      THR  36   7.618   1.968  -2.133
  246   2HG2  THR  36          HG21      THR  36   6.624   2.077  -3.586
  247   3HG2  THR  36          HG23      THR  36   5.862   2.049  -1.996
  248    H    ILE  37           HN       ILE  37   8.266  -1.222  -0.980
  249    HA   ILE  37           HA       ILE  37  10.379   0.529  -0.161
  250    HB   ILE  37           HB       ILE  37   9.547  -2.206   0.806
  251   1HG1  ILE  37          HG12      ILE  37   9.109   0.581   1.934
  252   2HG1  ILE  37          HG11      ILE  37   7.902  -0.346   1.042
  253   1HG2  ILE  37          HG23      ILE  37  11.929  -1.694   1.363
  254   2HG2  ILE  37          HG22      ILE  37  11.399  -0.203   2.139
  255   3HG2  ILE  37          HG21      ILE  37  10.903  -1.763   2.795
  256   1HD1  ILE  37          HD12      ILE  37   8.205  -2.182   2.777
  257   2HD1  ILE  37          HD11      ILE  37   9.142  -1.022   3.717
  258   3HD1  ILE  37          HD13      ILE  37   7.443  -0.705   3.367
  259    H    GLY  38           HN       GLY  38  10.419  -2.224  -2.186
  260   1HA   GLY  38           HA2      GLY  38  13.168  -3.034  -1.700
  261   2HA   GLY  38           HA1      GLY  38  12.176  -3.529  -3.077
  262    H    ILE  39           HN       ILE  39  11.721  -1.680  -4.652
  263    HA   ILE  39           HA       ILE  39  14.177  -0.639  -5.640
  264    HB   ILE  39           HB       ILE  39  11.319   0.201  -6.241
  265   1HG1  ILE  39          HG12      ILE  39  13.163  -1.627  -7.808
  266   2HG1  ILE  39          HG11      ILE  39  11.960  -2.221  -6.663
  267   1HG2  ILE  39          HG23      ILE  39  13.050   1.883  -6.881
  268   2HG2  ILE  39          HG22      ILE  39  13.866   0.640  -7.830
  269   3HG2  ILE  39          HG21      ILE  39  12.247   1.173  -8.281
  270   1HD1  ILE  39          HD13      ILE  39  10.532  -0.418  -8.225
  271   2HD1  ILE  39          HD12      ILE  39  11.591  -1.222  -9.384
  272   3HD1  ILE  39          HD11      ILE  39  10.496  -2.174  -8.382
  273    H    LYS  40           HN       LYS  40  12.152   0.328  -3.058
  274    HA   LYS  40           HA       LYS  40  12.648   3.201  -3.263
  275   1HB   LYS  40           HB2      LYS  40  10.731   2.261  -1.987
  276   2HB   LYS  40           HB1      LYS  40  11.865   1.534  -0.849
  277   1HG   LYS  40           HG2      LYS  40  11.884   3.463   0.307
  278   2HG   LYS  40           HG1      LYS  40  12.606   4.257  -1.093
  279   1HD   LYS  40           HD2      LYS  40  10.437   4.806  -1.994
  280   2HD   LYS  40           HD1      LYS  40   9.627   3.821  -0.776
  281   1HE   LYS  40           HE2      LYS  40  11.172   5.530   0.755
  282   2HE   LYS  40           HE1      LYS  40  10.652   6.562  -0.576
  283   1HZ   LYS  40           HZ2      LYS  40   8.414   5.162   0.060
  284   2HZ   LYS  40           HZ1      LYS  40   9.119   5.455   1.578
  285   3HZ   LYS  40           HZ3      LYS  40   8.757   6.753   0.549
  286    H    LEU  41           HN       LEU  41  13.659   1.114  -0.556
  287    HA   LEU  41           HA       LEU  41  15.872   2.685   0.211
  288   1HB   LEU  41           HB2      LEU  41  14.985  -0.106   0.681
  289   2HB   LEU  41           HB1      LEU  41  16.705   0.197   0.934
  290    HG   LEU  41           HG       LEU  41  14.548   1.949   2.131
  291   1HD1  LEU  41          HD11      LEU  41  15.196  -0.742   2.817
  292   2HD1  LEU  41          HD13      LEU  41  15.859   0.300   4.075
  293   3HD1  LEU  41          HD12      LEU  41  14.141   0.374   3.685
  294   1HD2  LEU  41          HD22      LEU  41  17.488   1.513   2.753
  295   2HD2  LEU  41          HD21      LEU  41  16.798   2.929   1.959
  296   3HD2  LEU  41          HD23      LEU  41  16.410   2.587   3.645
  297    H    PHE  42           HN       PHE  42  15.731  -0.042  -2.086
  298    HA   PHE  42           HA       PHE  42  18.552  -0.103  -2.617
  299   1HB   PHE  42           HB2      PHE  42  16.431  -1.650  -3.374
  300   2HB   PHE  42           HB1      PHE  42  16.747  -0.762  -4.865
  301    HD1  PHE  42           HD2      PHE  42  18.979  -2.067  -2.146
  302    HD2  PHE  42           HD1      PHE  42  17.997  -2.083  -6.328
  303    HE1  PHE  42           HE2      PHE  42  20.930  -3.530  -2.599
  304    HE2  PHE  42           HE1      PHE  42  19.949  -3.545  -6.781
  305    HZ   PHE  42           HZ       PHE  42  21.415  -4.269  -4.916
  306    H    LYS  43           HN       LYS  43  15.898   1.283  -4.570
  307    HA   LYS  43           HA       LYS  43  17.802   2.858  -6.143
  308   1HB   LYS  43           HB2      LYS  43  15.274   1.863  -6.624
  309   2HB   LYS  43           HB1      LYS  43  14.964   3.580  -6.364
  310   1HG   LYS  43           HG2      LYS  43  15.436   3.481  -8.663
  311   2HG   LYS  43           HG1      LYS  43  16.987   3.946  -7.964
  312   1HD   LYS  43           HD2      LYS  43  17.863   1.751  -8.161
  313   2HD   LYS  43           HD1      LYS  43  16.265   1.051  -8.419
  314   1HE   LYS  43           HE2      LYS  43  16.921   3.114 -10.388
  315   2HE   LYS  43           HE1      LYS  43  18.051   1.761 -10.417
  316   1HZ   LYS  43           HZ3      LYS  43  15.462   0.741 -10.135
  317   2HZ   LYS  43           HZ2      LYS  43  15.440   1.856 -11.417
  318   3HZ   LYS  43           HZ1      LYS  43  16.528   0.551 -11.440
  319    H    LYS  44           HN       LYS  44  17.290   3.351  -3.119
  320    HA   LYS  44           HA       LYS  44  16.041   5.909  -2.861
  321   1HB   LYS  44           HB2      LYS  44  17.328   4.049  -1.147
  322   2HB   LYS  44           HB1      LYS  44  18.172   5.585  -0.950
  323   1HG   LYS  44           HG2      LYS  44  15.171   5.186  -0.758
  324   2HG   LYS  44           HG1      LYS  44  16.265   5.423   0.607
  325   1HD   LYS  44           HD2      LYS  44  16.189   7.653   0.335
  326   2HD   LYS  44           HD1      LYS  44  16.714   7.494  -1.341
  327   1HE   LYS  44           HE2      LYS  44  14.106   6.659  -1.506
  328   2HE   LYS  44           HE1      LYS  44  14.004   7.897  -0.253
  329   1HZ   LYS  44           HZ3      LYS  44  15.473   9.224  -1.917
  330   2HZ   LYS  44           HZ2      LYS  44  14.818   8.155  -3.064
  331   3HZ   LYS  44           HZ1      LYS  44  13.794   9.148  -2.140
  332    H    PHE  45           HN       PHE  45  18.914   4.954  -4.356
  333    HA   PHE  45           HA       PHE  45  20.521   6.246  -5.486
  334   1HB   PHE  45           HB2      PHE  45  19.207   8.677  -4.242
  335   2HB   PHE  45           HB1      PHE  45  20.266   8.637  -5.648
  336    HD1  PHE  45           HD2      PHE  45  19.510   7.536  -7.759
  337    HD2  PHE  45           HD1      PHE  45  16.868   8.135  -4.425
  338    HE1  PHE  45           HE2      PHE  45  17.556   7.146  -9.236
  339    HE2  PHE  45           HE1      PHE  45  14.915   7.747  -5.900
  340    HZ   PHE  45           HZ       PHE  45  15.258   7.251  -8.307
  341    H    THR  46           HN       THR  46  21.156   5.052  -3.080
  342    HA   THR  46           HA       THR  46  22.942   5.114  -1.544
  343    HB   THR  46           HB       THR  46  23.646   7.936  -2.132
  344    HG1  THR  46           HG1      THR  46  24.342   7.484  -4.172
  345   1HG2  THR  46          HG23      THR  46  24.924   6.065  -0.811
  346   2HG2  THR  46          HG22      THR  46  25.405   5.520  -2.419
  347   3HG2  THR  46          HG21      THR  46  25.826   7.145  -1.875
  348    H    SER  47           HN       SER  47  20.210   6.009  -0.951
  349    HA   SER  47           HA       SER  47  20.499   8.295   0.865
  350   1HB   SER  47           HB2      SER  47  18.372   7.389  -0.480
  351   2HB   SER  47           HB1      SER  47  18.130   6.479   1.008
  352    HG   SER  47           HG       SER  47  18.690   8.792   1.888
  353    H    LYS  48           HN       LYS  48  19.957   4.776   1.213
  354    HA   LYS  48           HA       LYS  48  21.373   4.854   3.794
  355   1HB   LYS  48           HB2      LYS  48  18.424   4.352   3.532
  356   2HB   LYS  48           HB1      LYS  48  19.344   3.526   4.791
  357   1HG   LYS  48           HG2      LYS  48  20.290   5.920   5.294
  358   2HG   LYS  48           HG1      LYS  48  18.851   6.468   4.435
  359   1HD   LYS  48           HD2      LYS  48  17.631   4.737   6.016
  360   2HD   LYS  48           HD1      LYS  48  19.056   4.979   7.025
  361   1HE   LYS  48           HE2      LYS  48  17.985   6.805   7.824
  362   2HE   LYS  48           HE1      LYS  48  18.392   7.559   6.281
  363   1HZ   LYS  48           HZ2      LYS  48  15.928   5.979   6.786
  364   2HZ   LYS  48           HZ1      LYS  48  16.007   7.676   6.819
  365   3HZ   LYS  48           HZ3      LYS  48  16.309   6.843   5.374
  366    H    ALA  49           HN       ALA  49  21.330   3.495   0.996
  367    HA   ALA  49           HA       ALA  49  22.158   0.867   2.010
  368   1HB   ALA  49           HB3      ALA  49  19.519   1.169   1.131
  369   2HB   ALA  49           HB2      ALA  49  20.361   0.456  -0.245
  370   3HB   ALA  49           HB1      ALA  49  20.388  -0.354   1.322
  371    H    SER  50           HN       SER  50  21.118   2.063  -1.197
  372    HA   SER  50           HA       SER  50  23.463   1.002  -2.494
  373   1HB   SER  50           HB2      SER  50  21.204   1.533  -3.570
  374   2HB   SER  50           HB1      SER  50  21.700   3.222  -3.557
  375    HG   SER  50           HG       SER  50  23.211   2.799  -5.022
   
  No H/Q in entry =         375
  Start of MODEL    9
    1   1H    ALA   1           HT1      ALA   1 -18.144  -5.082 -11.272
    2   2H    ALA   1           HT3      ALA   1 -18.703  -6.583 -10.715
    3   3H    ALA   1           HT2      ALA   1 -18.587  -6.288 -12.384
    4    HA   ALA   1           HA       ALA   1 -20.353  -4.730 -12.338
    5   1HB   ALA   1           HB1      ALA   1 -20.823  -7.299 -10.831
    6   2HB   ALA   1           HB3      ALA   1 -22.151  -6.186 -11.156
    7   3HB   ALA   1           HB2      ALA   1 -21.256  -6.904 -12.495
    8    H    GLU   2           HN       GLU   2 -18.709  -5.071  -9.409
    9    HA   GLU   2           HA       GLU   2 -20.743  -3.547  -7.870
   10   1HB   GLU   2           HB2      GLU   2 -18.312  -5.148  -7.179
   11   2HB   GLU   2           HB1      GLU   2 -18.780  -3.842  -6.090
   12   1HG   GLU   2           HG2      GLU   2 -20.042  -5.568  -5.201
   13   2HG   GLU   2           HG1      GLU   2 -21.189  -4.927  -6.377
   14    H    GLY   3           HN       GLY   3 -20.439  -1.578  -9.167
   15   1HA   GLY   3           HA2      GLY   3 -17.964  -0.108  -8.352
   16   2HA   GLY   3           HA1      GLY   3 -18.605   0.025  -9.991
   17    H    ASP   4           HN       ASP   4 -21.102  -0.293  -7.736
   18    HA   ASP   4           HA       ASP   4 -21.390   2.673  -7.506
   19   1HB   ASP   4           HB2      ASP   4 -23.898   2.241  -7.808
   20   2HB   ASP   4           HB1      ASP   4 -22.904   2.089  -9.258
   21    H    ASP   5           HN       ASP   5 -21.647   3.248  -5.402
   22    HA   ASP   5           HA       ASP   5 -23.223   1.525  -3.600
   23   1HB   ASP   5           HB2      ASP   5 -20.304   2.185  -3.102
   24   2HB   ASP   5           HB1      ASP   5 -21.393   1.508  -1.890
   25    HA   PRO   6           HA       PRO   6 -24.244   5.437  -1.914
   26   1HB   PRO   6           HB2      PRO   6 -25.069   4.647   0.589
   27   2HB   PRO   6           HB1      PRO   6 -26.026   4.396  -0.884
   28   1HG   PRO   6           HG2      PRO   6 -24.457   2.397   0.694
   29   2HG   PRO   6           HG1      PRO   6 -25.873   2.145  -0.341
   30   1HD   PRO   6           HD2      PRO   6 -23.186   1.596  -1.057
   31   2HD   PRO   6           HD1      PRO   6 -24.566   1.677  -2.173
   32    H    ALA   7           HN       ALA   7 -22.193   3.326   0.083
   33    HA   ALA   7           HA       ALA   7 -20.863   5.785   1.150
   34   1HB   ALA   7           HB3      ALA   7 -22.029   4.424   2.889
   35   2HB   ALA   7           HB2      ALA   7 -21.017   3.048   2.450
   36   3HB   ALA   7           HB1      ALA   7 -20.285   4.495   3.144
   37    H    LYS   8           HN       LYS   8 -20.171   4.607  -1.351
   38    HA   LYS   8           HA       LYS   8 -18.072   2.714  -1.267
   39   1HB   LYS   8           HB2      LYS   8 -19.299   4.042  -3.267
   40   2HB   LYS   8           HB1      LYS   8 -17.803   4.973  -3.186
   41   1HG   LYS   8           HG2      LYS   8 -16.836   2.422  -3.026
   42   2HG   LYS   8           HG1      LYS   8 -18.240   2.188  -4.069
   43   1HD   LYS   8           HD2      LYS   8 -16.357   4.471  -4.595
   44   2HD   LYS   8           HD1      LYS   8 -15.943   2.848  -5.149
   45   1HE   LYS   8           HE2      LYS   8 -18.626   3.161  -5.868
   46   2HE   LYS   8           HE1      LYS   8 -17.887   4.720  -6.236
   47   1HZ   LYS   8           HZ3      LYS   8 -16.151   3.549  -7.462
   48   2HZ   LYS   8           HZ2      LYS   8 -16.913   2.063  -7.140
   49   3HZ   LYS   8           HZ1      LYS   8 -17.688   3.229  -8.105
   50    H    ALA   9           HN       ALA   9 -18.112   6.068  -0.329
   51    HA   ALA   9           HA       ALA   9 -15.362   6.715  -0.536
   52   1HB   ALA   9           HB1      ALA   9 -17.534   7.566   1.375
   53   2HB   ALA   9           HB3      ALA   9 -15.886   8.169   1.549
   54   3HB   ALA   9           HB2      ALA   9 -16.793   8.493   0.071
   55    H    ALA  10           HN       ALA  10 -16.687   6.244   2.705
   56    HA   ALA  10           HA       ALA  10 -14.288   5.306   3.832
   57   1HB   ALA  10           HB3      ALA  10 -16.952   5.685   4.704
   58   2HB   ALA  10           HB2      ALA  10 -16.520   4.029   5.127
   59   3HB   ALA  10           HB1      ALA  10 -15.531   5.373   5.701
   60    H    PHE  11           HN       PHE  11 -16.999   3.414   2.456
   61    HA   PHE  11           HA       PHE  11 -16.282   0.821   3.028
   62   1HB   PHE  11           HB2      PHE  11 -18.067   1.761   1.342
   63   2HB   PHE  11           HB1      PHE  11 -16.801   1.492   0.145
   64    HD1  PHE  11           HD1      PHE  11 -15.770  -0.815  -0.062
   65    HD2  PHE  11           HD2      PHE  11 -19.313  -0.053   2.243
   66    HE1  PHE  11           HE1      PHE  11 -16.312  -3.234  -0.093
   67    HE2  PHE  11           HE2      PHE  11 -19.854  -2.473   2.212
   68    HZ   PHE  11           HZ       PHE  11 -18.353  -4.063   1.043
   69    H    ASP  12           HN       ASP  12 -14.757   2.863   0.537
   70    HA   ASP  12           HA       ASP  12 -12.825   0.873  -0.246
   71   1HB   ASP  12           HB2      ASP  12 -13.274   3.768  -0.715
   72   2HB   ASP  12           HB1      ASP  12 -11.602   3.223  -0.858
   73    H    SER  13           HN       SER  13 -12.761   3.596   2.057
   74    HA   SER  13           HA       SER  13 -10.008   3.130   2.861
   75   1HB   SER  13           HB2      SER  13 -12.235   4.892   3.686
   76   2HB   SER  13           HB1      SER  13 -11.074   4.507   4.952
   77    HG   SER  13           HG       SER  13 -10.706   5.826   2.494
   78    H    LEU  14           HN       LEU  14 -12.867   2.931   5.011
   79    HA   LEU  14           HA       LEU  14 -11.737   1.375   7.021
   80   1HB   LEU  14           HB2      LEU  14 -14.463   0.430   6.431
   81   2HB   LEU  14           HB1      LEU  14 -13.831   1.175   7.894
   82    HG   LEU  14           HG       LEU  14 -14.669   2.631   5.377
   83   1HD1  LEU  14          HD13      LEU  14 -16.105   1.731   7.708
   84   2HD1  LEU  14          HD12      LEU  14 -16.090   3.493   7.660
   85   3HD1  LEU  14          HD11      LEU  14 -16.721   2.580   6.290
   86   1HD2  LEU  14          HD23      LEU  14 -12.905   3.383   7.517
   87   2HD2  LEU  14          HD22      LEU  14 -13.435   4.359   6.147
   88   3HD2  LEU  14          HD21      LEU  14 -14.379   4.344   7.637
   89    H    GLN  15           HN       GLN  15 -13.483   0.075   4.168
   90    HA   GLN  15           HA       GLN  15 -12.892  -2.655   4.827
   91   1HB   GLN  15           HB2      GLN  15 -14.519  -1.496   3.009
   92   2HB   GLN  15           HB1      GLN  15 -13.175  -1.956   1.958
   93   1HG   GLN  15           HG2      GLN  15 -14.790  -3.789   2.077
   94   2HG   GLN  15           HG1      GLN  15 -13.294  -4.263   2.886
   95   1HE2  GLN  15          HE22      GLN  15 -14.782  -4.504   6.092
   96   2HE2  GLN  15          HE21      GLN  15 -13.340  -4.558   5.197
   97    H    ALA  16           HN       ALA  16 -11.122  -0.190   3.030
   98    HA   ALA  16           HA       ALA  16  -9.208  -1.810   1.782
   99   1HB   ALA  16           HB1      ALA  16  -9.266   0.974   2.738
  100   2HB   ALA  16           HB3      ALA  16  -7.670   0.276   2.475
  101   3HB   ALA  16           HB2      ALA  16  -8.829   0.352   1.149
  102    H    SER  17           HN       SER  17  -8.258   0.024   4.488
  103    HA   SER  17           HA       SER  17  -6.481  -2.122   5.411
  104   1HB   SER  17           HB2      SER  17  -6.711  -0.005   7.331
  105   2HB   SER  17           HB1      SER  17  -5.344  -0.391   6.291
  106    HG   SER  17           HG       SER  17  -5.900   1.200   5.033
  107    H    ALA  18           HN       ALA  18  -7.503  -3.820   6.450
  108    HA   ALA  18           HA       ALA  18  -9.270  -3.086   8.744
  109   1HB   ALA  18           HB1      ALA  18  -9.921  -4.865   6.418
  110   2HB   ALA  18           HB3      ALA  18 -10.582  -5.260   8.005
  111   3HB   ALA  18           HB2      ALA  18 -10.950  -3.705   7.259
  112    H    THR  19           HN       THR  19  -8.813  -6.345   7.555
  113    HA   THR  19           HA       THR  19  -6.508  -7.057   9.091
  114    HB   THR  19           HB       THR  19  -7.715  -6.682  11.106
  115    HG1  THR  19           HG1      THR  19  -7.750  -8.688  11.932
  116   1HG2  THR  19          HG23      THR  19  -9.951  -6.687   9.673
  117   2HG2  THR  19          HG22      THR  19 -10.058  -8.339  10.278
  118   3HG2  THR  19          HG21      THR  19  -9.984  -6.989  11.410
  119    H    GLU  20           HN       GLU  20  -9.749  -8.434   8.398
  120    HA   GLU  20           HA       GLU  20  -8.834 -11.034   7.699
  121   1HB   GLU  20           HB2      GLU  20 -11.025 -11.089   6.377
  122   2HB   GLU  20           HB1      GLU  20 -11.155 -10.776   8.103
  123   1HG   GLU  20           HG2      GLU  20 -10.731  -8.332   6.555
  124   2HG   GLU  20           HG1      GLU  20 -12.209  -9.177   6.099
  125    H    TYR  21           HN       TYR  21 -10.448 -10.031   4.995
  126    HA   TYR  21           HA       TYR  21  -8.241 -10.420   3.301
  127   1HB   TYR  21           HB2      TYR  21  -9.832  -9.677   1.609
  128   2HB   TYR  21           HB1      TYR  21 -10.536 -10.892   2.617
  129    HD1  TYR  21           HD2      TYR  21 -10.510  -7.329   1.709
  130    HD2  TYR  21           HD1      TYR  21 -12.289 -10.340   4.195
  131    HE1  TYR  21           HE2      TYR  21 -12.356  -5.772   2.271
  132    HE2  TYR  21           HE1      TYR  21 -14.136  -8.789   4.758
  133    HH   TYR  21           HH       TYR  21 -15.039  -6.808   4.382
  134    H    ILE  22           HN       ILE  22  -9.069  -7.872   5.350
  135    HA   ILE  22           HA       ILE  22  -8.526  -5.570   5.362
  136    HB   ILE  22           HB       ILE  22  -6.374  -6.616   5.823
  137   1HG1  ILE  22          HG12      ILE  22  -5.395  -4.679   3.882
  138   2HG1  ILE  22          HG11      ILE  22  -6.759  -4.066   4.792
  139   1HG2  ILE  22          HG23      ILE  22  -6.149  -6.725   2.803
  140   2HG2  ILE  22          HG22      ILE  22  -4.805  -7.010   3.904
  141   3HG2  ILE  22          HG21      ILE  22  -6.188  -8.093   3.914
  142   1HD1  ILE  22          HD13      ILE  22  -5.605  -4.770   6.899
  143   2HD1  ILE  22          HD12      ILE  22  -4.199  -5.209   5.929
  144   3HD1  ILE  22          HD11      ILE  22  -4.728  -3.528   6.005
  145    H    GLY  23           HN       GLY  23 -10.307  -5.797   3.392
  146   1HA   GLY  23           HA2      GLY  23 -10.896  -5.107   1.186
  147   2HA   GLY  23           HA1      GLY  23  -9.950  -3.683   1.649
  148    H    TYR  24           HN       TYR  24  -7.842  -3.502   0.956
  149    HA   TYR  24           HA       TYR  24  -6.302  -5.581  -0.130
  150   1HB   TYR  24           HB2      TYR  24  -8.262  -4.780  -1.954
  151   2HB   TYR  24           HB1      TYR  24  -6.769  -4.001  -2.501
  152    HD1  TYR  24           HD2      TYR  24  -4.763  -5.315  -2.990
  153    HD2  TYR  24           HD1      TYR  24  -8.449  -7.199  -1.858
  154    HE1  TYR  24           HE2      TYR  24  -3.866  -7.495  -3.726
  155    HE2  TYR  24           HE1      TYR  24  -7.552  -9.385  -2.587
  156    HH   TYR  24           HH       TYR  24  -5.760 -10.173  -4.266
  157    H    ALA  25           HN       ALA  25  -6.018  -3.453   1.632
  158    HA   ALA  25           HA       ALA  25  -4.234  -1.563   0.191
  159   1HB   ALA  25           HB3      ALA  25  -6.082  -0.998   2.063
  160   2HB   ALA  25           HB2      ALA  25  -4.718  -1.342   3.126
  161   3HB   ALA  25           HB1      ALA  25  -4.591  -0.070   1.911
  162    H    TRP  26           HN       TRP  26  -4.329  -4.186   2.537
  163    HA   TRP  26           HA       TRP  26  -1.656  -3.854   3.550
  164   1HB   TRP  26           HB2      TRP  26  -2.130  -5.726   4.747
  165   2HB   TRP  26           HB1      TRP  26  -3.752  -5.529   4.104
  166    HD1  TRP  26           HD1      TRP  26  -1.210  -8.030   4.434
  167    HE1  TRP  26           HE1      TRP  26  -1.514  -9.973   2.799
  168    HE3  TRP  26           HE3      TRP  26  -4.474  -5.895   1.171
  169    HZ2  TRP  26           HZ2      TRP  26  -2.958 -10.560   0.414
  170    HZ3  TRP  26           HZ3      TRP  26  -5.313  -7.178  -0.780
  171    HH2  TRP  26           HH2      TRP  26  -4.548  -9.506  -1.164
  172    H    ALA  27           HN       ALA  27  -2.840  -5.087   0.530
  173    HA   ALA  27           HA       ALA  27  -0.452  -6.577  -0.174
  174   1HB   ALA  27           HB1      ALA  27  -3.010  -6.392  -1.221
  175   2HB   ALA  27           HB3      ALA  27  -2.047  -5.505  -2.399
  176   3HB   ALA  27           HB2      ALA  27  -1.649  -7.180  -2.014
  177    H    MET  28           HN       MET  28  -1.860  -3.559  -1.403
  178    HA   MET  28           HA       MET  28   0.396  -2.672  -2.755
  179   1HB   MET  28           HB2      MET  28  -2.099  -1.692  -2.463
  180   2HB   MET  28           HB1      MET  28  -1.225  -0.618  -1.371
  181   1HG   MET  28           HG2      MET  28  -0.073   0.391  -3.068
  182   2HG   MET  28           HG1      MET  28   0.063  -1.102  -3.998
  183   1HE   MET  28           HE3      MET  28  -0.588  -0.716  -6.241
  184   2HE   MET  28           HE2      MET  28  -1.623  -2.008  -5.640
  185   3HE   MET  28           HE1      MET  28  -2.299  -0.766  -6.692
  186    H    VAL  29           HN       VAL  29  -0.339  -2.889   0.568
  187    HA   VAL  29           HA       VAL  29   1.347  -0.913   1.679
  188    HB   VAL  29           HB       VAL  29  -0.211  -3.214   2.571
  189   1HG1  VAL  29          HG11      VAL  29   2.030  -4.218   3.052
  190   2HG1  VAL  29          HG13      VAL  29   2.447  -2.802   4.018
  191   3HG1  VAL  29          HG12      VAL  29   1.135  -3.864   4.530
  192   1HG2  VAL  29          HG22      VAL  29   0.310  -0.499   3.248
  193   2HG2  VAL  29          HG21      VAL  29  -0.934  -1.558   3.911
  194   3HG2  VAL  29          HG23      VAL  29   0.644  -1.454   4.692
  195    H    VAL  30           HN       VAL  30   2.040  -4.349   0.916
  196    HA   VAL  30           HA       VAL  30   4.838  -4.132   1.627
  197    HB   VAL  30           HB       VAL  30   3.604  -6.154  -0.261
  198   1HG1  VAL  30          HG11      VAL  30   5.985  -6.187   1.619
  199   2HG1  VAL  30          HG13      VAL  30   5.387  -7.601   0.750
  200   3HG1  VAL  30          HG12      VAL  30   6.033  -6.225  -0.144
  201   1HG2  VAL  30          HG23      VAL  30   3.340  -5.797   2.695
  202   2HG2  VAL  30          HG22      VAL  30   2.195  -6.483   1.542
  203   3HG2  VAL  30          HG21      VAL  30   3.571  -7.438   2.095
  204    H    VAL  31           HN       VAL  31   2.964  -3.576  -1.285
  205    HA   VAL  31           HA       VAL  31   5.017  -3.644  -3.225
  206    HB   VAL  31           HB       VAL  31   2.538  -1.921  -3.003
  207   1HG1  VAL  31          HG13      VAL  31   4.740  -1.950  -5.027
  208   2HG1  VAL  31          HG12      VAL  31   3.085  -1.787  -5.611
  209   3HG1  VAL  31          HG11      VAL  31   3.739  -0.605  -4.478
  210   1HG2  VAL  31          HG22      VAL  31   3.041  -4.630  -3.729
  211   2HG2  VAL  31          HG21      VAL  31   1.515  -3.752  -3.827
  212   3HG2  VAL  31          HG23      VAL  31   2.614  -3.765  -5.207
  213    H    ILE  32           HN       ILE  32   3.858  -0.784  -1.368
  214    HA   ILE  32           HA       ILE  32   5.892   0.943  -2.359
  215    HB   ILE  32           HB       ILE  32   3.928   1.759  -1.230
  216   1HG1  ILE  32          HG12      ILE  32   4.985   3.536   0.009
  217   2HG1  ILE  32          HG11      ILE  32   6.403   2.525   0.292
  218   1HG2  ILE  32          HG21      ILE  32   3.811  -0.024   0.500
  219   2HG2  ILE  32          HG23      ILE  32   5.175   0.743   1.308
  220   3HG2  ILE  32          HG22      ILE  32   3.640   1.597   1.167
  221   1HD1  ILE  32          HD11      ILE  32   5.450   3.272  -2.482
  222   2HD1  ILE  32          HD13      ILE  32   6.638   4.222  -1.591
  223   3HD1  ILE  32          HD12      ILE  32   6.995   2.553  -2.032
  224    H    VAL  33           HN       VAL  33   5.765  -0.924   0.717
  225    HA   VAL  33           HA       VAL  33   8.270  -0.076   1.682
  226    HB   VAL  33           HB       VAL  33   6.987  -2.832   1.766
  227   1HG1  VAL  33          HG12      VAL  33   9.512  -1.798   3.076
  228   2HG1  VAL  33          HG11      VAL  33   8.634  -3.205   3.676
  229   3HG1  VAL  33          HG13      VAL  33   9.331  -3.226   2.056
  230   1HG2  VAL  33          HG21      VAL  33   6.646  -0.359   3.217
  231   2HG2  VAL  33          HG23      VAL  33   5.743  -1.865   3.379
  232   3HG2  VAL  33          HG22      VAL  33   7.218  -1.615   4.314
  233    H    GLY  34           HN       GLY  34   7.494  -1.992  -1.093
  234   1HA   GLY  34           HA2      GLY  34  10.158  -3.098  -1.474
  235   2HA   GLY  34           HA1      GLY  34   8.923  -2.919  -2.733
  236    H    ALA  35           HN       ALA  35   8.379  -0.288  -2.716
  237    HA   ALA  35           HA       ALA  35  10.588   0.892  -4.113
  238   1HB   ALA  35           HB2      ALA  35   7.837   1.594  -3.444
  239   2HB   ALA  35           HB1      ALA  35   8.913   2.989  -3.354
  240   3HB   ALA  35           HB3      ALA  35   8.800   2.057  -4.847
  241    H    THR  36           HN       THR  36   9.150   1.771  -0.861
  242    HA   THR  36           HA       THR  36  11.030   3.753  -0.200
  243    HB   THR  36           HB       THR  36   9.812   1.704   1.679
  244    HG1  THR  36           HG1      THR  36   8.400   3.691   1.952
  245   1HG2  THR  36          HG21      THR  36  10.897   4.490   2.168
  246   2HG2  THR  36          HG23      THR  36  10.126   3.462   3.376
  247   3HG2  THR  36          HG22      THR  36  11.669   2.985   2.668
  248    H    ILE  37           HN       ILE  37  11.197   0.357   0.902
  249    HA   ILE  37           HA       ILE  37  13.926   0.521   1.775
  250    HB   ILE  37           HB       ILE  37  12.379  -1.894   0.826
  251   1HG1  ILE  37          HG12      ILE  37  12.534  -0.439   3.477
  252   2HG1  ILE  37          HG11      ILE  37  11.095  -0.890   2.564
  253   1HG2  ILE  37          HG23      ILE  37  14.882  -2.143   1.069
  254   2HG2  ILE  37          HG22      ILE  37  14.702  -1.709   2.769
  255   3HG2  ILE  37          HG21      ILE  37  13.949  -3.179   2.149
  256   1HD1  ILE  37          HD13      ILE  37  11.789  -3.321   2.923
  257   2HD1  ILE  37          HD12      ILE  37  12.970  -2.714   4.084
  258   3HD1  ILE  37          HD11      ILE  37  11.248  -2.459   4.363
  259    H    GLY  38           HN       GLY  38  12.594   0.348  -1.338
  260   1HA   GLY  38           HA2      GLY  38  14.715  -1.047  -2.710
  261   2HA   GLY  38           HA1      GLY  38  13.490  -0.033  -3.479
  262    H    ILE  39           HN       ILE  39  13.795   2.396  -2.936
  263    HA   ILE  39           HA       ILE  39  16.342   3.231  -3.904
  264    HB   ILE  39           HB       ILE  39  14.193   4.754  -2.391
  265   1HG1  ILE  39          HG12      ILE  39  14.644   5.392  -5.204
  266   2HG1  ILE  39          HG11      ILE  39  14.220   3.695  -4.980
  267   1HG2  ILE  39          HG23      ILE  39  16.453   5.808  -2.227
  268   2HG2  ILE  39          HG22      ILE  39  16.539   5.824  -3.989
  269   3HG2  ILE  39          HG21      ILE  39  15.313   6.781  -3.157
  270   1HD1  ILE  39          HD12      ILE  39  12.253   4.379  -3.630
  271   2HD1  ILE  39          HD11      ILE  39  12.662   6.070  -3.916
  272   3HD1  ILE  39          HD13      ILE  39  12.185   5.038  -5.264
  273    H    LYS  40           HN       LYS  40  15.286   2.139  -0.822
  274    HA   LYS  40           HA       LYS  40  17.035   3.715   0.846
  275   1HB   LYS  40           HB2      LYS  40  15.459   1.254   1.092
  276   2HB   LYS  40           HB1      LYS  40  16.926   1.241   2.069
  277   1HG   LYS  40           HG2      LYS  40  15.060   3.613   2.051
  278   2HG   LYS  40           HG1      LYS  40  14.820   2.255   3.150
  279   1HD   LYS  40           HD2      LYS  40  17.539   2.828   3.374
  280   2HD   LYS  40           HD1      LYS  40  16.772   4.414   3.287
  281   1HE   LYS  40           HE2      LYS  40  15.944   2.189   5.174
  282   2HE   LYS  40           HE1      LYS  40  16.923   3.584   5.625
  283   1HZ   LYS  40           HZ3      LYS  40  14.962   4.902   4.605
  284   2HZ   LYS  40           HZ2      LYS  40  14.081   3.473   4.870
  285   3HZ   LYS  40           HZ1      LYS  40  14.818   4.276   6.175
  286    H    LEU  41           HN       LEU  41  17.531   0.286  -0.108
  287    HA   LEU  41           HA       LEU  41  20.379   0.433   0.433
  288   1HB   LEU  41           HB2      LEU  41  18.574  -1.585  -0.883
  289   2HB   LEU  41           HB1      LEU  41  20.325  -1.781  -0.956
  290    HG   LEU  41           HG       LEU  41  19.193  -2.937   1.002
  291   1HD1  LEU  41          HD13      LEU  41  21.599  -1.443   0.854
  292   2HD1  LEU  41          HD12      LEU  41  20.917  -1.138   2.451
  293   3HD1  LEU  41          HD11      LEU  41  21.239  -2.792   1.932
  294   1HD2  LEU  41          HD22      LEU  41  17.598  -0.991   1.378
  295   2HD2  LEU  41          HD21      LEU  41  18.396  -1.592   2.832
  296   3HD2  LEU  41          HD23      LEU  41  18.961  -0.108   2.065
  297    H    PHE  42           HN       PHE  42  18.415   0.991  -2.410
  298    HA   PHE  42           HA       PHE  42  20.426   0.755  -4.415
  299   1HB   PHE  42           HB2      PHE  42  17.738   1.897  -4.196
  300   2HB   PHE  42           HB1      PHE  42  18.777   2.809  -5.292
  301    HD1  PHE  42           HD1      PHE  42  20.455   1.000  -6.633
  302    HD2  PHE  42           HD2      PHE  42  16.422   0.347  -5.311
  303    HE1  PHE  42           HE1      PHE  42  20.175  -0.758  -8.360
  304    HE2  PHE  42           HE2      PHE  42  16.140  -1.412  -7.038
  305    HZ   PHE  42           HZ       PHE  42  18.016  -1.964  -8.563
  306    H    LYS  43           HN       LYS  43  19.196   3.748  -2.876
  307    HA   LYS  43           HA       LYS  43  21.330   5.384  -3.899
  308   1HB   LYS  43           HB2      LYS  43  19.407   5.760  -1.588
  309   2HB   LYS  43           HB1      LYS  43  20.568   6.992  -2.082
  310   1HG   LYS  43           HG2      LYS  43  18.949   5.839  -4.275
  311   2HG   LYS  43           HG1      LYS  43  18.051   6.803  -3.101
  312   1HD   LYS  43           HD2      LYS  43  19.682   8.652  -3.397
  313   2HD   LYS  43           HD1      LYS  43  20.521   7.693  -4.616
  314   1HE   LYS  43           HE2      LYS  43  17.586   8.067  -4.970
  315   2HE   LYS  43           HE1      LYS  43  18.620   9.464  -5.273
  316   1HZ   LYS  43           HZ2      LYS  43  20.001   7.881  -6.665
  317   2HZ   LYS  43           HZ1      LYS  43  18.676   6.821  -6.592
  318   3HZ   LYS  43           HZ3      LYS  43  18.498   8.349  -7.303
  319    H    LYS  44           HN       LYS  44  21.103   3.237  -1.180
  320    HA   LYS  44           HA       LYS  44  23.274   4.413   0.350
  321   1HB   LYS  44           HB2      LYS  44  21.392   2.637   0.969
  322   2HB   LYS  44           HB1      LYS  44  22.670   1.510   0.518
  323   1HG   LYS  44           HG2      LYS  44  24.013   2.102   2.284
  324   2HG   LYS  44           HG1      LYS  44  23.452   3.775   2.281
  325   1HD   LYS  44           HD2      LYS  44  22.109   3.268   4.012
  326   2HD   LYS  44           HD1      LYS  44  21.196   2.211   2.933
  327   1HE   LYS  44           HE2      LYS  44  21.948   0.924   4.864
  328   2HE   LYS  44           HE1      LYS  44  22.812   0.374   3.427
  329   1HZ   LYS  44           HZ3      LYS  44  23.954   2.504   5.107
  330   2HZ   LYS  44           HZ2      LYS  44  24.122   0.879   5.574
  331   3HZ   LYS  44           HZ1      LYS  44  24.744   1.407   4.085
  332    H    PHE  45           HN       PHE  45  23.187   2.814  -2.569
  333    HA   PHE  45           HA       PHE  45  25.689   1.321  -2.299
  334   1HB   PHE  45           HB2      PHE  45  23.520   1.165  -4.007
  335   2HB   PHE  45           HB1      PHE  45  24.760   1.903  -5.021
  336    HD1  PHE  45           HD1      PHE  45  24.508  -0.812  -2.432
  337    HD2  PHE  45           HD2      PHE  45  26.146   0.455  -6.196
  338    HE1  PHE  45           HE1      PHE  45  25.608  -3.019  -2.695
  339    HE2  PHE  45           HE2      PHE  45  27.248  -1.751  -6.458
  340    HZ   PHE  45           HZ       PHE  45  26.978  -3.488  -4.707
  341    H    THR  46           HN       THR  46  25.762   4.238  -1.776
  342    HA   THR  46           HA       THR  46  27.457   5.848  -2.118
  343    HB   THR  46           HB       THR  46  28.254   4.589  -4.725
  344    HG1  THR  46           HG1      THR  46  28.984   2.861  -3.785
  345   1HG2  THR  46          HG22      THR  46  29.288   6.510  -2.837
  346   2HG2  THR  46          HG21      THR  46  30.434   5.184  -3.035
  347   3HG2  THR  46          HG23      THR  46  29.893   6.100  -4.441
  348    H    SER  47           HN       SER  47  24.758   6.096  -2.921
  349    HA   SER  47           HA       SER  47  25.033   7.615  -5.490
  350   1HB   SER  47           HB2      SER  47  23.229   5.626  -4.865
  351   2HB   SER  47           HB1      SER  47  22.306   7.089  -4.534
  352    HG   SER  47           HG       SER  47  22.095   7.217  -6.615
  353    H    LYS  48           HN       LYS  48  23.557   7.716  -2.237
  354    HA   LYS  48           HA       LYS  48  23.931  10.637  -2.205
  355   1HB   LYS  48           HB2      LYS  48  21.250   9.319  -2.403
  356   2HB   LYS  48           HB1      LYS  48  21.411  10.770  -1.413
  357   1HG   LYS  48           HG2      LYS  48  22.783  11.509  -3.664
  358   2HG   LYS  48           HG1      LYS  48  21.527  10.477  -4.348
  359   1HD   LYS  48           HD2      LYS  48  20.136  11.988  -2.488
  360   2HD   LYS  48           HD1      LYS  48  21.297  13.142  -3.148
  361   1HE   LYS  48           HE2      LYS  48  20.176  11.522  -5.269
  362   2HE   LYS  48           HE1      LYS  48  18.889  12.296  -4.343
  363   1HZ   LYS  48           HZ3      LYS  48  20.508  14.338  -4.555
  364   2HZ   LYS  48           HZ2      LYS  48  21.021  13.503  -5.942
  365   3HZ   LYS  48           HZ1      LYS  48  19.394  13.964  -5.778
  366    H    ALA  49           HN       ALA  49  24.592   8.025  -0.682
  367    HA   ALA  49           HA       ALA  49  24.971   7.465   1.565
  368   1HB   ALA  49           HB3      ALA  49  25.192  10.258   1.389
  369   2HB   ALA  49           HB2      ALA  49  24.143   9.970   2.777
  370   3HB   ALA  49           HB1      ALA  49  25.748   9.241   2.718
  371    H    SER  50           HN       SER  50  22.706   6.395   0.865
  372    HA   SER  50           HA       SER  50  20.578   5.722   1.587
  373   1HB   SER  50           HB2      SER  50  21.795   5.353   3.704
  374   2HB   SER  50           HB1      SER  50  21.523   7.032   4.159
  375    HG   SER  50           HG       SER  50  19.940   4.974   4.569
   
  No H/Q in entry =         375
  Start of MODEL   10
    1   1H    ALA   1           HT3      ALA   1  -4.452   8.648 -13.037
    2   2H    ALA   1           HT2      ALA   1  -3.778   7.306 -13.831
    3   3H    ALA   1           HT1      ALA   1  -4.487   8.561 -14.730
    4    HA   ALA   1           HA       ALA   1  -6.609   7.904 -14.294
    5   1HB   ALA   1           HB1      ALA   1  -5.450   6.081 -15.497
    6   2HB   ALA   1           HB3      ALA   1  -5.002   5.351 -13.956
    7   3HB   ALA   1           HB2      ALA   1  -6.699   5.442 -14.428
    8    H    GLU   2           HN       GLU   2  -4.387   7.325 -11.704
    9    HA   GLU   2           HA       GLU   2  -6.706   7.119  -9.840
   10   1HB   GLU   2           HB2      GLU   2  -4.152   5.512  -9.548
   11   2HB   GLU   2           HB1      GLU   2  -5.594   5.409  -8.538
   12   1HG   GLU   2           HG2      GLU   2  -6.695   4.965 -10.978
   13   2HG   GLU   2           HG1      GLU   2  -5.089   4.280 -11.232
   14    H    GLY   3           HN       GLY   3  -6.351   9.360  -9.351
   15   1HA   GLY   3           HA2      GLY   3  -3.833   9.868  -7.811
   16   2HA   GLY   3           HA1      GLY   3  -4.616  11.114  -8.785
   17    H    ASP   4           HN       ASP   4  -5.912   8.733  -6.446
   18    HA   ASP   4           HA       ASP   4  -6.899  11.029  -4.820
   19   1HB   ASP   4           HB2      ASP   4  -8.553   9.570  -6.483
   20   2HB   ASP   4           HB1      ASP   4  -8.749   8.753  -4.932
   21    H    ASP   5           HN       ASP   5  -6.739  10.682  -2.628
   22    HA   ASP   5           HA       ASP   5  -6.256   7.914  -1.659
   23   1HB   ASP   5           HB2      ASP   5  -4.548  10.159  -0.616
   24   2HB   ASP   5           HB1      ASP   5  -4.234   8.423  -0.602
   25    HA   PRO   6           HA       PRO   6  -9.084  10.454   0.980
   26   1HB   PRO   6           HB2      PRO   6 -11.269   8.805   0.710
   27   2HB   PRO   6           HB1      PRO   6 -10.933  10.171  -0.369
   28   1HG   PRO   6           HG2      PRO   6 -10.607   7.246  -0.892
   29   2HG   PRO   6           HG1      PRO   6 -10.879   8.566  -2.043
   30   1HD   PRO   6           HD2      PRO   6  -8.387   7.313  -1.510
   31   2HD   PRO   6           HD1      PRO   6  -8.627   8.823  -2.409
   32    H    ALA   7           HN       ALA   7  -7.382   9.387   2.451
   33    HA   ALA   7           HA       ALA   7  -7.080   8.251   4.490
   34   1HB   ALA   7           HB2      ALA   7  -9.836   8.355   4.212
   35   2HB   ALA   7           HB1      ALA   7  -9.512   6.629   4.376
   36   3HB   ALA   7           HB3      ALA   7  -8.969   7.750   5.624
   37    H    LYS   8           HN       LYS   8  -6.306   7.252   1.837
   38    HA   LYS   8           HA       LYS   8  -6.805   4.436   1.621
   39   1HB   LYS   8           HB2      LYS   8  -5.532   6.319   0.068
   40   2HB   LYS   8           HB1      LYS   8  -4.178   5.355   0.662
   41   1HG   LYS   8           HG2      LYS   8  -5.016   3.367  -0.288
   42   2HG   LYS   8           HG1      LYS   8  -6.644   4.025  -0.450
   43   1HD   LYS   8           HD2      LYS   8  -6.094   5.289  -2.332
   44   2HD   LYS   8           HD1      LYS   8  -4.379   5.335  -1.923
   45   1HE   LYS   8           HE2      LYS   8  -3.965   3.247  -2.814
   46   2HE   LYS   8           HE1      LYS   8  -5.592   2.663  -2.469
   47   1HZ   LYS   8           HZ1      LYS   8  -4.918   4.661  -4.558
   48   2HZ   LYS   8           HZ3      LYS   8  -5.191   3.014  -4.850
   49   3HZ   LYS   8           HZ2      LYS   8  -6.450   3.990  -4.260
   50    H    ALA   9           HN       ALA   9  -4.890   6.254   3.800
   51    HA   ALA   9           HA       ALA   9  -2.734   4.515   4.344
   52   1HB   ALA   9           HB3      ALA   9  -4.350   6.367   6.100
   53   2HB   ALA   9           HB2      ALA   9  -3.018   5.414   6.757
   54   3HB   ALA   9           HB1      ALA   9  -2.713   6.594   5.481
   55    H    ALA  10           HN       ALA  10  -5.385   4.683   6.697
   56    HA   ALA  10           HA       ALA  10  -5.041   1.934   7.455
   57   1HB   ALA  10           HB2      ALA  10  -7.007   4.090   8.082
   58   2HB   ALA  10           HB1      ALA  10  -7.467   2.425   8.440
   59   3HB   ALA  10           HB3      ALA  10  -6.020   3.117   9.173
   60    H    PHE  11           HN       PHE  11  -7.435   3.579   5.356
   61    HA   PHE  11           HA       PHE  11  -9.234   1.542   4.848
   62   1HB   PHE  11           HB2      PHE  11  -9.028   3.846   3.682
   63   2HB   PHE  11           HB1      PHE  11  -7.982   3.015   2.531
   64    HD1  PHE  11           HD1      PHE  11 -11.385   2.944   4.067
   65    HD2  PHE  11           HD2      PHE  11  -8.889   1.618   0.826
   66    HE1  PHE  11           HE1      PHE  11 -13.378   2.047   2.896
   67    HE2  PHE  11           HE2      PHE  11 -10.886   0.723  -0.341
   68    HZ   PHE  11           HZ       PHE  11 -13.129   0.937   0.694
   69    H    ASP  12           HN       ASP  12  -5.995   1.852   3.386
   70    HA   ASP  12           HA       ASP  12  -6.193  -0.619   1.916
   71   1HB   ASP  12           HB2      ASP  12  -4.478   1.419   1.748
   72   2HB   ASP  12           HB1      ASP  12  -3.538   0.402   2.839
   73    H    SER  13           HN       SER  13  -4.921   0.263   5.123
   74    HA   SER  13           HA       SER  13  -3.920  -2.406   5.703
   75   1HB   SER  13           HB2      SER  13  -4.253   0.143   7.181
   76   2HB   SER  13           HB1      SER  13  -4.249  -1.319   8.162
   77    HG   SER  13           HG       SER  13  -2.172  -0.081   7.232
   78    H    LEU  14           HN       LEU  14  -6.467  -0.718   7.559
   79    HA   LEU  14           HA       LEU  14  -7.670  -2.957   8.692
   80   1HB   LEU  14           HB2      LEU  14  -9.699  -1.044   7.694
   81   2HB   LEU  14           HB1      LEU  14  -9.391  -1.591   9.338
   82    HG   LEU  14           HG       LEU  14  -7.835   0.512   7.819
   83   1HD1  LEU  14          HD12      LEU  14 -10.020   0.536   9.822
   84   2HD1  LEU  14          HD11      LEU  14  -8.707   1.679  10.106
   85   3HD1  LEU  14          HD13      LEU  14  -9.607   1.729   8.590
   86   1HD2  LEU  14          HD23      LEU  14  -6.912  -1.215   9.827
   87   2HD2  LEU  14          HD22      LEU  14  -6.168   0.309   9.342
   88   3HD2  LEU  14          HD21      LEU  14  -7.317   0.276  10.680
   89    H    GLN  15           HN       GLN  15  -8.676  -1.466   5.591
   90    HA   GLN  15           HA       GLN  15 -10.534  -3.524   4.906
   91   1HB   GLN  15           HB2      GLN  15 -10.083  -1.212   3.767
   92   2HB   GLN  15           HB1      GLN  15  -8.916  -2.113   2.799
   93   1HG   GLN  15           HG2      GLN  15 -11.012  -2.132   1.604
   94   2HG   GLN  15           HG1      GLN  15 -10.761  -3.752   2.257
   95   1HE2  GLN  15          HE22      GLN  15 -13.567  -3.610   4.408
   96   2HE2  GLN  15          HE21      GLN  15 -12.205  -4.494   3.916
   97    H    ALA  16           HN       ALA  16  -7.024  -3.277   4.362
   98    HA   ALA  16           HA       ALA  16  -6.590  -5.372   2.628
   99   1HB   ALA  16           HB3      ALA  16  -5.038  -4.083   4.670
  100   2HB   ALA  16           HB2      ALA  16  -4.674  -5.801   4.596
  101   3HB   ALA  16           HB1      ALA  16  -4.486  -4.797   3.160
  102    H    SER  17           HN       SER  17  -6.302  -5.851   5.999
  103    HA   SER  17           HA       SER  17  -7.010  -8.684   5.753
  104   1HB   SER  17           HB2      SER  17  -6.868  -7.300   8.403
  105   2HB   SER  17           HB1      SER  17  -6.300  -8.905   7.954
  106    HG   SER  17           HG       SER  17  -4.796  -6.892   8.227
  107    H    ALA  18           HN       ALA  18  -9.185  -8.089   4.793
  108    HA   ALA  18           HA       ALA  18 -11.126  -7.227   6.899
  109   1HB   ALA  18           HB3      ALA  18 -10.974  -6.887   3.961
  110   2HB   ALA  18           HB2      ALA  18 -12.583  -7.194   4.615
  111   3HB   ALA  18           HB1      ALA  18 -11.647  -5.814   5.188
  112    H    THR  19           HN       THR  19 -10.047  -9.997   6.615
  113    HA   THR  19           HA       THR  19 -10.824 -12.222   6.453
  114    HB   THR  19           HB       THR  19 -11.967 -12.126   8.418
  115    HG1  THR  19           HG1      THR  19 -14.354 -12.150   7.949
  116   1HG2  THR  19          HG21      THR  19 -12.053  -9.590   8.204
  117   2HG2  THR  19          HG23      THR  19 -13.643  -9.795   7.469
  118   3HG2  THR  19          HG22      THR  19 -13.364 -10.320   9.128
  119    H    GLU  20           HN       GLU  20 -14.066 -10.870   5.886
  120    HA   GLU  20           HA       GLU  20 -15.026 -12.539   3.956
  121   1HB   GLU  20           HB2      GLU  20 -16.199 -10.505   2.946
  122   2HB   GLU  20           HB1      GLU  20 -16.464 -10.823   4.653
  123   1HG   GLU  20           HG2      GLU  20 -14.129  -9.118   4.018
  124   2HG   GLU  20           HG1      GLU  20 -15.708  -8.405   3.696
  125    H    TYR  21           HN       TYR  21 -14.702  -9.798   2.092
  126    HA   TYR  21           HA       TYR  21 -13.333 -11.189   0.055
  127   1HB   TYR  21           HB2      TYR  21 -13.443  -8.946  -1.017
  128   2HB   TYR  21           HB1      TYR  21 -14.993  -9.551  -0.550
  129    HD1  TYR  21           HD2      TYR  21 -12.341  -7.098   0.144
  130    HD2  TYR  21           HD1      TYR  21 -16.228  -8.521   1.292
  131    HE1  TYR  21           HE2      TYR  21 -12.694  -5.048   1.492
  132    HE2  TYR  21           HE1      TYR  21 -16.581  -6.470   2.637
  133    HH   TYR  21           HH       TYR  21 -15.587  -3.996   2.511
  134    H    ILE  22           HN       ILE  22 -12.329  -9.843   2.911
  135    HA   ILE  22           HA       ILE  22 -10.334  -9.041   3.759
  136    HB   ILE  22           HB       ILE  22  -9.767 -11.373   3.066
  137   1HG1  ILE  22          HG12      ILE  22  -7.264  -9.905   2.512
  138   2HG1  ILE  22          HG11      ILE  22  -8.123  -9.392   3.963
  139   1HG2  ILE  22          HG22      ILE  22  -8.884  -9.930   0.570
  140   2HG2  ILE  22          HG21      ILE  22  -8.230 -11.501   1.027
  141   3HG2  ILE  22          HG23      ILE  22  -9.953 -11.326   0.706
  142   1HD1  ILE  22          HD11      ILE  22  -7.875 -12.326   3.523
  143   2HD1  ILE  22          HD13      ILE  22  -6.404 -11.462   3.972
  144   3HD1  ILE  22          HD12      ILE  22  -7.816 -11.406   5.027
  145    H    GLY  23           HN       GLY  23 -11.458  -7.127   2.133
  146   1HA   GLY  23           HA2      GLY  23 -10.966  -5.339   0.623
  147   2HA   GLY  23           HA1      GLY  23  -9.596  -5.186   1.721
  148    H    TYR  24           HN       TYR  24 -10.029  -7.954  -0.367
  149    HA   TYR  24           HA       TYR  24  -8.487  -8.927  -1.792
  150   1HB   TYR  24           HB2      TYR  24  -9.997  -7.218  -3.092
  151   2HB   TYR  24           HB1      TYR  24  -8.479  -6.326  -3.260
  152    HD1  TYR  24           HD1      TYR  24  -6.475  -7.512  -4.124
  153    HD2  TYR  24           HD2      TYR  24 -10.393  -9.189  -4.365
  154    HE1  TYR  24           HE1      TYR  24  -5.660  -9.108  -5.828
  155    HE2  TYR  24           HE2      TYR  24  -9.602 -10.796  -6.076
  156    HH   TYR  24           HH       TYR  24  -7.890 -11.463  -7.328
  157    H    ALA  25           HN       ALA  25  -7.040  -8.392   0.229
  158    HA   ALA  25           HA       ALA  25  -4.581  -7.128  -0.877
  159   1HB   ALA  25           HB3      ALA  25  -6.013  -5.781   0.931
  160   2HB   ALA  25           HB2      ALA  25  -5.142  -6.835   2.045
  161   3HB   ALA  25           HB1      ALA  25  -4.252  -5.765   0.962
  162    H    TRP  26           HN       TRP  26  -6.107  -9.558   1.090
  163    HA   TRP  26           HA       TRP  26  -4.173 -10.687   2.625
  164   1HB   TRP  26           HB2      TRP  26  -5.399 -12.636   2.545
  165   2HB   TRP  26           HB1      TRP  26  -6.571 -11.518   1.865
  166    HD1  TRP  26           HD1      TRP  26  -5.290 -14.774   1.256
  167    HE1  TRP  26           HE1      TRP  26  -5.548 -15.505  -1.176
  168    HE3  TRP  26           HE3      TRP  26  -6.175 -10.242  -0.984
  169    HZ2  TRP  26           HZ2      TRP  26  -6.044 -14.373  -3.733
  170    HZ3  TRP  26           HZ3      TRP  26  -6.531 -10.133  -3.418
  171    HH2  TRP  26           HH2      TRP  26  -6.466 -12.181  -4.800
  172    H    ALA  27           HN       ALA  27  -4.024 -10.499  -0.882
  173    HA   ALA  27           HA       ALA  27  -1.493 -12.070  -0.731
  174   1HB   ALA  27           HB2      ALA  27  -3.283 -13.215  -2.026
  175   2HB   ALA  27           HB1      ALA  27  -3.360 -11.821  -3.104
  176   3HB   ALA  27           HB3      ALA  27  -1.893 -12.798  -3.029
  177    H    MET  28           HN       MET  28  -2.982  -9.914  -3.141
  178    HA   MET  28           HA       MET  28  -0.707  -8.829  -4.183
  179   1HB   MET  28           HB2      MET  28  -3.444  -8.295  -4.365
  180   2HB   MET  28           HB1      MET  28  -2.702  -6.759  -3.912
  181   1HG   MET  28           HG2      MET  28  -1.075  -8.063  -5.903
  182   2HG   MET  28           HG1      MET  28  -2.740  -7.954  -6.478
  183   1HE   MET  28           HE2      MET  28  -1.851  -6.917  -8.237
  184   2HE   MET  28           HE1      MET  28  -2.818  -5.444  -8.263
  185   3HE   MET  28           HE3      MET  28  -1.053  -5.351  -8.369
  186    H    VAL  29           HN       VAL  29  -2.245  -7.997  -1.137
  187    HA   VAL  29           HA       VAL  29  -0.943  -5.529  -0.649
  188    HB   VAL  29           HB       VAL  29  -2.785  -6.858   0.731
  189   1HG1  VAL  29          HG11      VAL  29  -0.199  -7.575   2.160
  190   2HG1  VAL  29          HG13      VAL  29  -1.816  -7.777   2.835
  191   3HG1  VAL  29          HG12      VAL  29  -1.327  -8.711   1.425
  192   1HG2  VAL  29          HG22      VAL  29  -1.019  -4.641   1.249
  193   2HG2  VAL  29          HG21      VAL  29  -2.690  -4.863   1.771
  194   3HG2  VAL  29          HG23      VAL  29  -1.366  -5.475   2.765
  195    H    VAL  30           HN       VAL  30   0.133  -8.827   0.305
  196    HA   VAL  30           HA       VAL  30   2.612  -8.007   1.438
  197    HB   VAL  30           HB       VAL  30   1.910 -10.584  -0.008
  198   1HG1  VAL  30          HG13      VAL  30   4.304  -9.713   1.603
  199   2HG1  VAL  30          HG12      VAL  30   3.836 -11.412   1.531
  200   3HG1  VAL  30          HG11      VAL  30   4.265 -10.551   0.053
  201   1HG2  VAL  30          HG21      VAL  30   1.054  -9.498   2.472
  202   2HG2  VAL  30          HG23      VAL  30   0.794 -11.137   1.872
  203   3HG2  VAL  30          HG22      VAL  30   2.213 -10.771   2.854
  204    H    VAL  31           HN       VAL  31   1.909  -9.217  -1.862
  205    HA   VAL  31           HA       VAL  31   4.429  -8.892  -3.017
  206    HB   VAL  31           HB       VAL  31   1.685  -8.290  -4.155
  207   1HG1  VAL  31          HG11      VAL  31   3.407  -7.009  -5.388
  208   2HG1  VAL  31          HG13      VAL  31   4.339  -8.490  -5.612
  209   3HG1  VAL  31          HG12      VAL  31   2.756  -8.321  -6.372
  210   1HG2  VAL  31          HG23      VAL  31   3.025 -10.675  -3.525
  211   2HG2  VAL  31          HG22      VAL  31   1.591 -10.513  -4.538
  212   3HG2  VAL  31          HG21      VAL  31   3.195 -10.510  -5.272
  213    H    ILE  32           HN       ILE  32   2.076  -6.433  -2.108
  214    HA   ILE  32           HA       ILE  32   3.427  -4.248  -3.397
  215    HB   ILE  32           HB       ILE  32   1.061  -4.548  -1.978
  216   1HG1  ILE  32          HG12      ILE  32   2.394  -2.023  -2.932
  217   2HG1  ILE  32          HG11      ILE  32   1.445  -3.123  -3.935
  218   1HG2  ILE  32          HG22      ILE  32   2.859  -2.635  -0.497
  219   2HG2  ILE  32          HG21      ILE  32   1.111  -2.725  -0.291
  220   3HG2  ILE  32          HG23      ILE  32   2.126  -4.093   0.166
  221   1HD1  ILE  32          HD13      ILE  32  -0.533  -2.708  -2.511
  222   2HD1  ILE  32          HD12      ILE  32   0.415  -1.593  -1.527
  223   3HD1  ILE  32          HD11      ILE  32   0.074  -1.209  -3.214
  224    H    VAL  33           HN       VAL  33   3.442  -5.411   0.007
  225    HA   VAL  33           HA       VAL  33   5.246  -3.606   1.084
  226    HB   VAL  33           HB       VAL  33   5.327  -6.629   1.461
  227   1HG1  VAL  33          HG13      VAL  33   6.704  -4.337   2.801
  228   2HG1  VAL  33          HG12      VAL  33   6.172  -5.687   3.804
  229   3HG1  VAL  33          HG11      VAL  33   7.298  -5.965   2.475
  230   1HG2  VAL  33          HG21      VAL  33   3.704  -4.401   2.663
  231   2HG2  VAL  33          HG23      VAL  33   3.175  -5.994   2.122
  232   3HG2  VAL  33          HG22      VAL  33   4.078  -5.829   3.628
  233    H    GLY  34           HN       GLY  34   5.858  -6.041  -1.337
  234   1HA   GLY  34           HA2      GLY  34   8.758  -5.821  -1.210
  235   2HA   GLY  34           HA1      GLY  34   7.827  -6.389  -2.610
  236    H    ALA  35           HN       ALA  35   6.257  -4.443  -3.341
  237    HA   ALA  35           HA       ALA  35   7.889  -2.495  -4.617
  238   1HB   ALA  35           HB2      ALA  35   5.227  -3.269  -4.742
  239   2HB   ALA  35           HB1      ALA  35   5.142  -1.610  -4.147
  240   3HB   ALA  35           HB3      ALA  35   5.963  -1.961  -5.668
  241    H    THR  36           HN       THR  36   5.640  -1.975  -1.749
  242    HA   THR  36           HA       THR  36   6.319   0.718  -1.316
  243    HB   THR  36           HB       THR  36   5.809  -1.366   0.827
  244    HG1  THR  36           HG1      THR  36   3.675  -0.929   0.484
  245   1HG2  THR  36          HG23      THR  36   5.968   1.603   0.760
  246   2HG2  THR  36          HG22      THR  36   4.666   0.899   1.721
  247   3HG2  THR  36          HG21      THR  36   6.345   0.485   2.072
  248    H    ILE  37           HN       ILE  37   7.774  -2.047   0.419
  249    HA   ILE  37           HA       ILE  37   9.845  -0.686   1.724
  250    HB   ILE  37           HB       ILE  37   9.845  -3.456   0.507
  251   1HG1  ILE  37          HG12      ILE  37   8.172  -2.879   2.327
  252   2HG1  ILE  37          HG11      ILE  37   9.285  -4.184   2.741
  253   1HG2  ILE  37          HG21      ILE  37  11.787  -2.162   2.445
  254   2HG2  ILE  37          HG23      ILE  37  11.738  -3.887   2.084
  255   3HG2  ILE  37          HG22      ILE  37  12.154  -2.733   0.817
  256   1HD1  ILE  37          HD12      ILE  37   9.748  -1.288   3.498
  257   2HD1  ILE  37          HD11      ILE  37   8.990  -2.469   4.566
  258   3HD1  ILE  37          HD13      ILE  37  10.661  -2.692   4.049
  259    H    GLY  38           HN       GLY  38   9.549  -1.346  -1.656
  260   1HA   GLY  38           HA2      GLY  38  12.365  -1.013  -2.313
  261   2HA   GLY  38           HA1      GLY  38  11.031  -1.045  -3.472
  262    H    ILE  39           HN       ILE  39   9.440   0.961  -2.806
  263    HA   ILE  39           HA       ILE  39  10.933   3.315  -3.525
  264    HB   ILE  39           HB       ILE  39   8.072   2.844  -2.645
  265   1HG1  ILE  39          HG12      ILE  39   8.713   4.070  -5.252
  266   2HG1  ILE  39          HG11      ILE  39   9.325   2.428  -5.056
  267   1HG2  ILE  39          HG21      ILE  39   9.577   5.400  -3.134
  268   2HG2  ILE  39          HG23      ILE  39   7.866   5.299  -3.552
  269   3HG2  ILE  39          HG22      ILE  39   8.386   5.033  -1.887
  270   1HD1  ILE  39          HD13      ILE  39   6.571   2.802  -4.082
  271   2HD1  ILE  39          HD12      ILE  39   6.761   3.049  -5.819
  272   3HD1  ILE  39          HD11      ILE  39   7.245   1.518  -5.087
  273    H    LYS  40           HN       LYS  40  10.541   1.612  -0.632
  274    HA   LYS  40           HA       LYS  40  10.446   3.940   1.153
  275   1HB   LYS  40           HB2      LYS  40  10.213   1.112   1.418
  276   2HB   LYS  40           HB1      LYS  40  11.551   1.628   2.443
  277   1HG   LYS  40           HG2      LYS  40   9.163   3.368   2.551
  278   2HG   LYS  40           HG1      LYS  40   8.930   1.743   3.199
  279   1HD   LYS  40           HD2      LYS  40  11.306   2.302   4.328
  280   2HD   LYS  40           HD1      LYS  40  10.677   3.944   4.186
  281   1HE   LYS  40           HE2      LYS  40   9.091   1.670   5.402
  282   2HE   LYS  40           HE1      LYS  40  10.097   2.762   6.355
  283   1HZ   LYS  40           HZ2      LYS  40   8.324   4.091   4.512
  284   2HZ   LYS  40           HZ1      LYS  40   7.521   3.206   5.721
  285   3HZ   LYS  40           HZ3      LYS  40   8.630   4.413   6.151
  286    H    LEU  41           HN       LEU  41  12.982   1.420   0.836
  287    HA   LEU  41           HA       LEU  41  15.065   2.982   1.943
  288   1HB   LEU  41           HB2      LEU  41  16.586   1.373   1.040
  289   2HB   LEU  41           HB1      LEU  41  15.103   0.483   1.388
  290    HG   LEU  41           HG       LEU  41  14.683   1.408  -1.191
  291   1HD1  LEU  41          HD13      LEU  41  17.349   1.822  -0.843
  292   2HD1  LEU  41          HD12      LEU  41  17.359   0.153  -1.414
  293   3HD1  LEU  41          HD11      LEU  41  16.624   1.418  -2.399
  294   1HD2  LEU  41          HD23      LEU  41  15.235  -1.112   0.187
  295   2HD2  LEU  41          HD22      LEU  41  14.075  -0.769  -1.096
  296   3HD2  LEU  41          HD21      LEU  41  15.752  -1.140  -1.499
  297    H    PHE  42           HN       PHE  42  13.690   2.987  -1.280
  298    HA   PHE  42           HA       PHE  42  15.847   4.526  -2.488
  299   1HB   PHE  42           HB2      PHE  42  13.511   3.191  -3.385
  300   2HB   PHE  42           HB1      PHE  42  13.321   4.886  -3.831
  301    HD1  PHE  42           HD1      PHE  42  16.506   2.993  -3.464
  302    HD2  PHE  42           HD2      PHE  42  13.723   4.833  -6.170
  303    HE1  PHE  42           HE1      PHE  42  18.115   2.686  -5.326
  304    HE2  PHE  42           HE2      PHE  42  15.331   4.528  -8.032
  305    HZ   PHE  42           HZ       PHE  42  17.527   3.454  -7.612
  306    H    LYS  43           HN       LYS  43  12.430   5.462  -2.029
  307    HA   LYS  43           HA       LYS  43  13.189   8.287  -1.865
  308   1HB   LYS  43           HB2      LYS  43  10.868   6.876  -2.575
  309   2HB   LYS  43           HB1      LYS  43  10.449   7.726  -1.087
  310   1HG   LYS  43           HG2      LYS  43  11.598   9.779  -2.209
  311   2HG   LYS  43           HG1      LYS  43  11.389   8.872  -3.709
  312   1HD   LYS  43           HD2      LYS  43   8.942   8.619  -3.097
  313   2HD   LYS  43           HD1      LYS  43   9.227   9.768  -1.789
  314   1HE   LYS  43           HE2      LYS  43   9.818  11.509  -3.317
  315   2HE   LYS  43           HE1      LYS  43   9.933  10.378  -4.666
  316   1HZ   LYS  43           HZ2      LYS  43   7.510   9.910  -4.262
  317   2HZ   LYS  43           HZ1      LYS  43   7.497  11.266  -3.238
  318   3HZ   LYS  43           HZ3      LYS  43   7.869  11.451  -4.882
  319    H    LYS  44           HN       LYS  44  14.071   6.380   0.317
  320    HA   LYS  44           HA       LYS  44  12.550   6.882   2.686
  321   1HB   LYS  44           HB2      LYS  44  14.594   5.230   2.107
  322   2HB   LYS  44           HB1      LYS  44  15.494   6.526   2.892
  323   1HG   LYS  44           HG2      LYS  44  14.803   5.818   4.910
  324   2HG   LYS  44           HG1      LYS  44  13.120   6.003   4.414
  325   1HD   LYS  44           HD2      LYS  44  13.168   3.725   4.842
  326   2HD   LYS  44           HD1      LYS  44  13.596   3.731   3.130
  327   1HE   LYS  44           HE2      LYS  44  16.046   3.893   3.939
  328   2HE   LYS  44           HE1      LYS  44  15.418   3.404   5.513
  329   1HZ   LYS  44           HZ3      LYS  44  14.400   1.793   3.384
  330   2HZ   LYS  44           HZ2      LYS  44  16.096   1.738   3.464
  331   3HZ   LYS  44           HZ1      LYS  44  15.163   1.322   4.822
  332    H    PHE  45           HN       PHE  45  15.000   8.684   0.963
  333    HA   PHE  45           HA       PHE  45  15.367  10.573   3.201
  334   1HB   PHE  45           HB2      PHE  45  16.791   9.900   0.780
  335   2HB   PHE  45           HB1      PHE  45  16.493  11.638   0.835
  336    HD1  PHE  45           HD1      PHE  45  18.107   8.787   2.530
  337    HD2  PHE  45           HD2      PHE  45  17.443  13.032   2.598
  338    HE1  PHE  45           HE1      PHE  45  19.908   9.043   4.217
  339    HE2  PHE  45           HE2      PHE  45  19.244  13.287   4.285
  340    HZ   PHE  45           HZ       PHE  45  20.477  11.292   5.094
  341    H    THR  46           HN       THR  46  12.705  10.219   1.818
  342    HA   THR  46           HA       THR  46  10.928  11.668   1.321
  343    HB   THR  46           HB       THR  46  12.884  13.960   1.562
  344    HG1  THR  46           HG1      THR  46  11.681  12.351   3.530
  345   1HG2  THR  46          HG22      THR  46   9.932  13.580   1.567
  346   2HG2  THR  46          HG21      THR  46  10.583  14.799   2.664
  347   3HG2  THR  46          HG23      THR  46  10.894  14.916   0.931
  348    H    SER  47           HN       SER  47  13.087  10.681  -0.620
  349    HA   SER  47           HA       SER  47  11.966  11.839  -2.989
  350   1HB   SER  47           HB2      SER  47  14.450  13.094  -1.905
  351   2HB   SER  47           HB1      SER  47  14.319  12.886  -3.648
  352    HG   SER  47           HG       SER  47  13.438  14.893  -2.646
  353    H    LYS  48           HN       LYS  48  12.745  10.775  -4.875
  354    HA   LYS  48           HA       LYS  48  14.051   8.225  -4.368
  355   1HB   LYS  48           HB2      LYS  48  13.816   7.894  -6.809
  356   2HB   LYS  48           HB1      LYS  48  12.303   8.449  -6.093
  357   1HG   LYS  48           HG2      LYS  48  12.638  10.684  -6.880
  358   2HG   LYS  48           HG1      LYS  48  14.313  10.349  -7.319
  359   1HD   LYS  48           HD2      LYS  48  13.644   8.906  -9.120
  360   2HD   LYS  48           HD1      LYS  48  11.963   8.919  -8.583
  361   1HE   LYS  48           HE2      LYS  48  12.018  11.451  -8.951
  362   2HE   LYS  48           HE1      LYS  48  13.540  11.189  -9.803
  363   1HZ   LYS  48           HZ2      LYS  48  11.428   9.401 -10.599
  364   2HZ   LYS  48           HZ1      LYS  48  11.094  11.035 -10.924
  365   3HZ   LYS  48           HZ3      LYS  48  12.495  10.317 -11.553
  366    H    ALA  49           HN       ALA  49  15.092  11.392  -5.300
  367    HA   ALA  49           HA       ALA  49  17.397  10.956  -6.798
  368   1HB   ALA  49           HB2      ALA  49  16.502  12.986  -4.871
  369   2HB   ALA  49           HB1      ALA  49  18.256  12.837  -4.969
  370   3HB   ALA  49           HB3      ALA  49  17.320  13.192  -6.420
  371    H    SER  50           HN       SER  50  16.814  10.146  -3.448
  372    HA   SER  50           HA       SER  50  19.641   9.616  -2.883
  373   1HB   SER  50           HB2      SER  50  18.067  10.355  -1.105
  374   2HB   SER  50           HB1      SER  50  17.160   8.859  -1.308
  375    HG   SER  50           HG       SER  50  18.697   8.710   0.380
   
  No H/Q in entry =         375
  Start of MODEL   11
    1   1H    ALA   1           HT3      ALA   1  -0.285  -0.993  11.092
    2   2H    ALA   1           HT2      ALA   1  -0.342  -2.281   9.985
    3   3H    ALA   1           HT1      ALA   1  -0.927  -2.489  11.567
    4    HA   ALA   1           HA       ALA   1   1.093  -2.853  12.433
    5   1HB   ALA   1           HB2      ALA   1   0.853  -4.226  10.236
    6   2HB   ALA   1           HB1      ALA   1   2.050  -3.106   9.586
    7   3HB   ALA   1           HB3      ALA   1   2.450  -4.114  10.977
    8    H    GLU   2           HN       GLU   2   1.960  -1.108   9.422
    9    HA   GLU   2           HA       GLU   2   3.637   0.694  11.123
   10   1HB   GLU   2           HB2      GLU   2   5.218   0.851   9.267
   11   2HB   GLU   2           HB1      GLU   2   4.980  -0.845   9.690
   12   1HG   GLU   2           HG2      GLU   2   2.986  -0.078   7.767
   13   2HG   GLU   2           HG1      GLU   2   4.578   0.379   7.160
   14    H    GLY   3           HN       GLY   3   0.819   1.015  10.214
   15   1HA   GLY   3           HA2      GLY   3   0.643   3.703   9.696
   16   2HA   GLY   3           HA1      GLY   3   0.901   3.027   8.089
   17    H    ASP   4           HN       ASP   4  -0.927   1.561  10.759
   18    HA   ASP   4           HA       ASP   4  -3.064   0.597   9.277
   19   1HB   ASP   4           HB2      ASP   4  -2.660   0.314  11.777
   20   2HB   ASP   4           HB1      ASP   4  -3.424   1.889  11.993
   21    H    ASP   5           HN       ASP   5  -4.572   1.577   8.008
   22    HA   ASP   5           HA       ASP   5  -5.473   4.317   8.736
   23   1HB   ASP   5           HB2      ASP   5  -4.091   3.474   6.229
   24   2HB   ASP   5           HB1      ASP   5  -5.428   4.615   6.076
   25    HA   PRO   6           HA       PRO   6  -9.408   2.789   7.583
   26   1HB   PRO   6           HB2      PRO   6 -10.625   5.099   6.726
   27   2HB   PRO   6           HB1      PRO   6 -10.295   4.740   8.431
   28   1HG   PRO   6           HG2      PRO   6  -8.885   6.649   6.614
   29   2HG   PRO   6           HG1      PRO   6  -9.026   6.681   8.381
   30   1HD   PRO   6           HD2      PRO   6  -6.760   5.803   6.905
   31   2HD   PRO   6           HD1      PRO   6  -7.036   5.562   8.643
   32    H    ALA   7           HN       ALA   7  -7.437   4.358   5.202
   33    HA   ALA   7           HA       ALA   7  -9.222   3.912   2.949
   34   1HB   ALA   7           HB2      ALA   7  -6.763   5.263   3.401
   35   2HB   ALA   7           HB1      ALA   7  -6.467   4.063   2.142
   36   3HB   ALA   7           HB3      ALA   7  -7.740   5.267   1.932
   37    H    LYS   8           HN       LYS   8  -6.092   2.402   3.852
   38    HA   LYS   8           HA       LYS   8  -6.172   0.294   1.988
   39   1HB   LYS   8           HB2      LYS   8  -4.817   0.782   4.577
   40   2HB   LYS   8           HB1      LYS   8  -4.959  -0.912   4.105
   41   1HG   LYS   8           HG2      LYS   8  -3.474  -0.685   2.405
   42   2HG   LYS   8           HG1      LYS   8  -4.155   0.863   1.902
   43   1HD   LYS   8           HD2      LYS   8  -2.291   1.802   2.769
   44   2HD   LYS   8           HD1      LYS   8  -2.988   1.448   4.350
   45   1HE   LYS   8           HE2      LYS   8  -1.754  -0.927   3.262
   46   2HE   LYS   8           HE1      LYS   8  -0.598   0.405   3.275
   47   1HZ   LYS   8           HZ2      LYS   8  -2.118   0.372   5.667
   48   2HZ   LYS   8           HZ1      LYS   8  -1.380  -1.138   5.421
   49   3HZ   LYS   8           HZ3      LYS   8  -0.435   0.269   5.465
   50    H    ALA   9           HN       ALA   9  -8.111   0.767   4.820
   51    HA   ALA   9           HA       ALA   9  -8.781  -1.925   5.450
   52   1HB   ALA   9           HB2      ALA   9 -10.341   0.657   5.672
   53   2HB   ALA   9           HB1      ALA   9 -10.986  -0.884   6.238
   54   3HB   ALA   9           HB3      ALA   9  -9.516  -0.226   6.957
   55    H    ALA  10           HN       ALA  10 -11.249   0.136   3.977
   56    HA   ALA  10           HA       ALA  10 -12.587  -1.963   2.659
   57   1HB   ALA  10           HB2      ALA  10 -13.135   0.645   2.973
   58   2HB   ALA  10           HB1      ALA  10 -12.534   0.699   1.316
   59   3HB   ALA  10           HB3      ALA  10 -13.909  -0.327   1.722
   60    H    PHE  11           HN       PHE  11  -9.815  -0.036   1.626
   61    HA   PHE  11           HA       PHE  11  -9.738  -0.610  -1.094
   62   1HB   PHE  11           HB2      PHE  11  -7.909   0.375   0.766
   63   2HB   PHE  11           HB1      PHE  11  -7.125  -1.063   0.111
   64    HD1  PHE  11           HD2      PHE  11  -9.348   1.639  -1.247
   65    HD2  PHE  11           HD1      PHE  11  -5.724  -0.622  -1.691
   66    HE1  PHE  11           HE2      PHE  11  -8.846   2.862  -3.342
   67    HE2  PHE  11           HE1      PHE  11  -5.222   0.599  -3.789
   68    HZ   PHE  11           HZ       PHE  11  -6.780   2.343  -4.615
   69    H    ASP  12           HN       ASP  12  -8.365  -2.665   1.501
   70    HA   ASP  12           HA       ASP  12  -7.770  -4.858  -0.251
   71   1HB   ASP  12           HB2      ASP  12  -6.706  -4.820   1.901
   72   2HB   ASP  12           HB1      ASP  12  -8.256  -4.704   2.735
   73    H    SER  13           HN       SER  13 -10.681  -3.833   1.426
   74    HA   SER  13           HA       SER  13 -12.103  -6.347   0.948
   75   1HB   SER  13           HB2      SER  13 -12.726  -4.956   2.855
   76   2HB   SER  13           HB1      SER  13 -13.084  -3.601   1.789
   77    HG   SER  13           HG       SER  13 -14.675  -5.596   2.526
   78    H    LEU  14           HN       LEU  14 -13.299  -3.144  -0.032
   79    HA   LEU  14           HA       LEU  14 -14.858  -3.842  -2.167
   80   1HB   LEU  14           HB2      LEU  14 -14.439  -1.643  -3.141
   81   2HB   LEU  14           HB1      LEU  14 -14.503  -1.507  -1.384
   82    HG   LEU  14           HG       LEU  14 -11.865  -1.989  -1.698
   83   1HD1  LEU  14          HD13      LEU  14 -12.907  -1.169  -4.317
   84   2HD1  LEU  14          HD12      LEU  14 -11.591  -0.147  -3.739
   85   3HD1  LEU  14          HD11      LEU  14 -11.352  -1.886  -3.901
   86   1HD2  LEU  14          HD21      LEU  14 -13.443   0.582  -1.778
   87   2HD2  LEU  14          HD23      LEU  14 -12.570  -0.128  -0.421
   88   3HD2  LEU  14          HD22      LEU  14 -11.680   0.600  -1.757
   89    H    GLN  15           HN       GLN  15 -11.328  -3.891  -2.184
   90    HA   GLN  15           HA       GLN  15 -11.196  -4.275  -5.072
   91   1HB   GLN  15           HB2      GLN  15  -9.142  -4.473  -2.858
   92   2HB   GLN  15           HB1      GLN  15  -8.769  -4.871  -4.532
   93   1HG   GLN  15           HG2      GLN  15  -9.940  -2.491  -4.940
   94   2HG   GLN  15           HG1      GLN  15  -9.338  -2.215  -3.305
   95   1HE2  GLN  15          HE22      GLN  15  -6.637  -2.784  -6.357
   96   2HE2  GLN  15          HE21      GLN  15  -8.233  -3.332  -6.547
   97    H    ALA  16           HN       ALA  16 -10.550  -6.286  -2.187
   98    HA   ALA  16           HA       ALA  16 -10.090  -8.720  -3.414
   99   1HB   ALA  16           HB2      ALA  16  -9.941  -8.390  -0.981
  100   2HB   ALA  16           HB1      ALA  16 -11.701  -8.294  -0.911
  101   3HB   ALA  16           HB3      ALA  16 -10.918  -9.804  -1.380
  102    H    SER  17           HN       SER  17 -12.970  -7.004  -3.338
  103    HA   SER  17           HA       SER  17 -14.682  -9.275  -3.985
  104   1HB   SER  17           HB2      SER  17 -15.809  -6.688  -4.653
  105   2HB   SER  17           HB1      SER  17 -16.357  -7.863  -3.461
  106    HG   SER  17           HG       SER  17 -15.470  -6.669  -1.988
  107    H    ALA  18           HN       ALA  18 -12.330  -8.448  -5.766
  108    HA   ALA  18           HA       ALA  18 -11.884  -8.240  -8.057
  109   1HB   ALA  18           HB1      ALA  18 -14.268  -9.969  -7.763
  110   2HB   ALA  18           HB3      ALA  18 -14.035  -9.282  -9.370
  111   3HB   ALA  18           HB2      ALA  18 -12.766 -10.263  -8.638
  112    H    THR  19           HN       THR  19 -12.506  -5.824  -7.288
  113    HA   THR  19           HA       THR  19 -14.866  -4.885  -8.846
  114    HB   THR  19           HB       THR  19 -14.599  -4.097  -6.492
  115    HG1  THR  19           HG1      THR  19 -14.690  -1.805  -7.103
  116   1HG2  THR  19          HG21      THR  19 -11.974  -4.008  -6.927
  117   2HG2  THR  19          HG23      THR  19 -12.346  -2.337  -7.351
  118   3HG2  THR  19          HG22      THR  19 -12.743  -2.948  -5.744
  119    H    GLU  20           HN       GLU  20 -11.608  -5.381  -9.332
  120    HA   GLU  20           HA       GLU  20 -11.610  -3.590 -11.644
  121   1HB   GLU  20           HB2      GLU  20  -9.043  -3.191 -10.709
  122   2HB   GLU  20           HB1      GLU  20 -10.345  -2.007 -10.635
  123   1HG   GLU  20           HG2      GLU  20 -11.033  -3.113  -8.435
  124   2HG   GLU  20           HG1      GLU  20  -9.489  -3.958  -8.493
  125    H    TYR  21           HN       TYR  21  -9.748  -5.747  -9.779
  126    HA   TYR  21           HA       TYR  21  -9.463  -7.801 -11.667
  127   1HB   TYR  21           HB2      TYR  21  -7.210  -7.418 -12.565
  128   2HB   TYR  21           HB1      TYR  21  -8.261  -6.082 -13.022
  129    HD1  TYR  21           HD1      TYR  21  -5.553  -7.148 -10.733
  130    HD2  TYR  21           HD2      TYR  21  -7.934  -3.859 -12.138
  131    HE1  TYR  21           HE1      TYR  21  -4.022  -5.555  -9.603
  132    HE2  TYR  21           HE2      TYR  21  -6.403  -2.267 -11.009
  133    HH   TYR  21           HH       TYR  21  -4.701  -2.596  -8.817
  134    H    ILE  22           HN       ILE  22  -8.019  -5.947  -9.047
  135    HA   ILE  22           HA       ILE  22  -6.678  -8.411  -8.103
  136    HB   ILE  22           HB       ILE  22  -5.127  -6.679  -7.924
  137   1HG1  ILE  22          HG12      ILE  22  -6.382  -6.111  -5.279
  138   2HG1  ILE  22          HG11      ILE  22  -5.799  -7.724  -5.609
  139   1HG2  ILE  22          HG22      ILE  22  -7.439  -5.002  -7.062
  140   2HG2  ILE  22          HG21      ILE  22  -5.761  -4.465  -7.014
  141   3HG2  ILE  22          HG23      ILE  22  -6.511  -4.880  -8.545
  142   1HD1  ILE  22          HD11      ILE  22  -3.682  -6.459  -6.520
  143   2HD1  ILE  22          HD13      ILE  22  -4.271  -5.170  -5.491
  144   3HD1  ILE  22          HD12      ILE  22  -3.856  -6.732  -4.788
  145    H    GLY  23           HN       GLY  23  -8.843  -9.310  -7.726
  146   1HA   GLY  23           HA2      GLY  23 -10.046  -8.303  -5.207
  147   2HA   GLY  23           HA1      GLY  23 -10.864  -9.356  -6.359
  148    H    TYR  24           HN       TYR  24  -7.739 -10.395  -6.182
  149    HA   TYR  24           HA       TYR  24  -8.362 -12.815  -4.845
  150   1HB   TYR  24           HB2      TYR  24  -5.525 -11.689  -4.962
  151   2HB   TYR  24           HB1      TYR  24  -6.035 -13.377  -4.988
  152    HD1  TYR  24           HD1      TYR  24  -8.405 -12.275  -7.042
  153    HD2  TYR  24           HD2      TYR  24  -4.120 -12.379  -6.909
  154    HE1  TYR  24           HE1      TYR  24  -8.316 -12.107  -9.489
  155    HE2  TYR  24           HE2      TYR  24  -4.026 -12.222  -9.353
  156    HH   TYR  24           HH       TYR  24  -5.289 -12.452 -11.265
  157    H    ALA  25           HN       ALA  25  -7.770  -9.591  -3.757
  158    HA   ALA  25           HA       ALA  25  -8.209  -8.892  -1.496
  159   1HB   ALA  25           HB2      ALA  25  -8.938 -11.312  -1.000
  160   2HB   ALA  25           HB1      ALA  25  -7.272 -11.581  -0.488
  161   3HB   ALA  25           HB3      ALA  25  -8.267 -10.386   0.343
  162    H    TRP  26           HN       TRP  26  -5.773  -8.807  -3.128
  163    HA   TRP  26           HA       TRP  26  -3.840  -8.521  -0.862
  164   1HB   TRP  26           HB2      TRP  26  -2.150  -9.451  -2.071
  165   2HB   TRP  26           HB1      TRP  26  -3.505 -10.367  -2.687
  166    HD1  TRP  26           HD1      TRP  26  -0.864  -7.950  -3.736
  167    HE1  TRP  26           HE1      TRP  26  -1.031  -7.586  -6.278
  168    HE3  TRP  26           HE3      TRP  26  -5.307 -10.012  -4.644
  169    HZ2  TRP  26           HZ2      TRP  26  -2.825  -8.211  -8.359
  170    HZ3  TRP  26           HZ3      TRP  26  -6.234 -10.109  -6.917
  171    HH2  TRP  26           HH2      TRP  26  -4.987  -9.183  -8.791
  172    H    ALA  27           HN       ALA  27  -5.706  -6.746  -2.150
  173    HA   ALA  27           HA       ALA  27  -4.418  -4.894  -3.801
  174   1HB   ALA  27           HB2      ALA  27  -6.866  -4.903  -2.140
  175   2HB   ALA  27           HB1      ALA  27  -6.177  -3.314  -2.475
  176   3HB   ALA  27           HB3      ALA  27  -6.650  -4.368  -3.807
  177    H    MET  28           HN       MET  28  -4.843  -5.088  -0.337
  178    HA   MET  28           HA       MET  28  -3.204  -2.838   0.197
  179   1HB   MET  28           HB2      MET  28  -4.955  -3.479   1.781
  180   2HB   MET  28           HB1      MET  28  -4.179  -5.048   2.003
  181   1HG   MET  28           HG2      MET  28  -2.181  -3.081   2.444
  182   2HG   MET  28           HG1      MET  28  -3.611  -2.566   3.339
  183   1HE   MET  28           HE2      MET  28  -4.956  -4.054   4.933
  184   2HE   MET  28           HE1      MET  28  -5.040  -5.369   3.763
  185   3HE   MET  28           HE3      MET  28  -4.525  -5.689   5.427
  186    H    VAL  29           HN       VAL  29  -2.694  -6.107  -0.577
  187    HA   VAL  29           HA       VAL  29  -0.266  -6.619   0.848
  188    HB   VAL  29           HB       VAL  29  -1.646  -7.824  -1.558
  189   1HG1  VAL  29          HG12      VAL  29   1.268  -8.114  -0.835
  190   2HG1  VAL  29          HG11      VAL  29   0.386  -9.513  -1.446
  191   3HG1  VAL  29          HG13      VAL  29   0.515  -8.055  -2.429
  192   1HG2  VAL  29          HG23      VAL  29  -1.933  -8.325   1.024
  193   2HG2  VAL  29          HG22      VAL  29  -1.913  -9.654  -0.134
  194   3HG2  VAL  29          HG21      VAL  29  -0.466  -9.277   0.800
  195    H    VAL  30           HN       VAL  30  -0.625  -5.849  -2.652
  196    HA   VAL  30           HA       VAL  30   2.183  -5.122  -2.850
  197    HB   VAL  30           HB       VAL  30   1.451  -4.236  -5.128
  198   1HG1  VAL  30          HG12      VAL  30   2.282  -6.576  -4.644
  199   2HG1  VAL  30          HG11      VAL  30   0.596  -7.076  -4.517
  200   3HG1  VAL  30          HG13      VAL  30   1.216  -6.452  -6.044
  201   1HG2  VAL  30          HG21      VAL  30  -0.940  -3.855  -4.273
  202   2HG2  VAL  30          HG23      VAL  30  -0.786  -4.618  -5.854
  203   3HG2  VAL  30          HG22      VAL  30  -1.160  -5.596  -4.435
  204    H    VAL  31           HN       VAL  31  -0.856  -3.343  -2.489
  205    HA   VAL  31           HA       VAL  31   0.045  -0.729  -2.988
  206    HB   VAL  31           HB       VAL  31  -2.020  -1.857  -1.096
  207   1HG1  VAL  31          HG13      VAL  31  -1.335   1.076  -1.491
  208   2HG1  VAL  31          HG12      VAL  31  -2.752   0.470  -0.635
  209   3HG1  VAL  31          HG11      VAL  31  -1.139   0.161   0.005
  210   1HG2  VAL  31          HG22      VAL  31  -2.094  -0.167  -3.616
  211   2HG2  VAL  31          HG21      VAL  31  -2.574  -1.857  -3.464
  212   3HG2  VAL  31          HG23      VAL  31  -3.520  -0.597  -2.672
  213    H    ILE  32           HN       ILE  32   0.044  -2.430   0.187
  214    HA   ILE  32           HA       ILE  32   1.423  -0.353   1.544
  215    HB   ILE  32           HB       ILE  32   0.306  -2.045   2.746
  216   1HG1  ILE  32          HG12      ILE  32   2.189  -2.806   4.276
  217   2HG1  ILE  32          HG11      ILE  32   3.271  -2.014   3.132
  218   1HG2  ILE  32          HG21      ILE  32   1.071  -3.809   0.944
  219   2HG2  ILE  32          HG23      ILE  32   2.336  -4.105   2.133
  220   3HG2  ILE  32          HG22      ILE  32   0.641  -4.311   2.576
  221   1HD1  ILE  32          HD13      ILE  32   1.687   0.039   3.430
  222   2HD1  ILE  32          HD12      ILE  32   1.176  -0.783   4.904
  223   3HD1  ILE  32          HD11      ILE  32   2.864  -0.314   4.694
  224    H    VAL  33           HN       VAL  33   2.746  -3.414   0.170
  225    HA   VAL  33           HA       VAL  33   5.423  -2.891   0.816
  226    HB   VAL  33           HB       VAL  33   4.317  -4.035  -1.778
  227   1HG1  VAL  33          HG11      VAL  33   6.957  -3.239  -1.166
  228   2HG1  VAL  33          HG13      VAL  33   6.933  -4.995  -1.012
  229   3HG1  VAL  33          HG12      VAL  33   6.432  -4.235  -2.523
  230   1HG2  VAL  33          HG23      VAL  33   4.480  -5.026   0.917
  231   2HG2  VAL  33          HG22      VAL  33   3.843  -5.837  -0.513
  232   3HG2  VAL  33          HG21      VAL  33   5.554  -5.976  -0.109
  233    H    GLY  34           HN       GLY  34   3.339  -1.211  -1.370
  234   1HA   GLY  34           HA2      GLY  34   5.447   0.126  -2.855
  235   2HA   GLY  34           HA1      GLY  34   3.764   0.662  -2.738
  236    H    ALA  35           HN       ALA  35   3.405   0.979  -0.067
  237    HA   ALA  35           HA       ALA  35   4.798   3.459   0.461
  238   1HB   ALA  35           HB2      ALA  35   2.844   1.776   2.025
  239   2HB   ALA  35           HB1      ALA  35   3.577   3.222   2.718
  240   3HB   ALA  35           HB3      ALA  35   2.578   3.348   1.270
  241    H    THR  36           HN       THR  36   5.032   0.145   1.938
  242    HA   THR  36           HA       THR  36   6.872   0.891   3.971
  243    HB   THR  36           HB       THR  36   7.154  -1.781   2.675
  244    HG1  THR  36           HG1      THR  36   4.805  -0.715   3.794
  245   1HG2  THR  36          HG23      THR  36   6.753  -0.828   5.525
  246   2HG2  THR  36          HG22      THR  36   7.076  -2.494   5.041
  247   3HG2  THR  36          HG21      THR  36   8.298  -1.249   4.785
  248    H    ILE  37           HN       ILE  37   7.724  -0.911   0.992
  249    HA   ILE  37           HA       ILE  37  10.527  -0.177   1.251
  250    HB   ILE  37           HB       ILE  37   9.028  -1.315  -1.119
  251   1HG1  ILE  37          HG12      ILE  37  10.442  -2.576   1.248
  252   2HG1  ILE  37          HG11      ILE  37   8.767  -2.806   0.745
  253   1HG2  ILE  37          HG21      ILE  37  11.680  -0.346  -0.875
  254   2HG2  ILE  37          HG23      ILE  37  11.789  -2.106  -0.866
  255   3HG2  ILE  37          HG22      ILE  37  10.999  -1.278  -2.209
  256   1HD1  ILE  37          HD13      ILE  37  10.278  -3.477  -1.515
  257   2HD1  ILE  37          HD12      ILE  37  11.160  -4.186  -0.162
  258   3HD1  ILE  37          HD11      ILE  37   9.466  -4.602  -0.426
  259    H    GLY  38           HN       GLY  38   7.816   1.339  -0.264
  260   1HA   GLY  38           HA2      GLY  38   9.414   2.933  -2.120
  261   2HA   GLY  38           HA1      GLY  38   7.690   3.135  -1.811
  262    H    ILE  39           HN       ILE  39   7.228   3.915   0.523
  263    HA   ILE  39           HA       ILE  39   8.408   6.463   0.868
  264    HB   ILE  39           HB       ILE  39   7.025   4.703   2.916
  265   1HG1  ILE  39          HG12      ILE  39   5.862   7.029   1.378
  266   2HG1  ILE  39          HG11      ILE  39   5.800   5.383   0.747
  267   1HG2  ILE  39          HG21      ILE  39   7.650   7.670   2.890
  268   2HG2  ILE  39          HG23      ILE  39   6.583   6.886   4.055
  269   3HG2  ILE  39          HG22      ILE  39   8.296   6.471   4.010
  270   1HD1  ILE  39          HD12      ILE  39   4.930   4.959   3.287
  271   2HD1  ILE  39          HD11      ILE  39   4.323   6.592   3.013
  272   3HD1  ILE  39          HD13      ILE  39   3.849   5.283   1.931
  273    H    LYS  40           HN       LYS  40   9.541   3.284   1.652
  274    HA   LYS  40           HA       LYS  40  11.264   4.081   3.867
  275   1HB   LYS  40           HB2      LYS  40  10.795   1.746   3.659
  276   2HB   LYS  40           HB1      LYS  40  11.321   1.719   1.975
  277   1HG   LYS  40           HG2      LYS  40  13.405   2.746   3.733
  278   2HG   LYS  40           HG1      LYS  40  12.891   1.128   4.214
  279   1HD   LYS  40           HD2      LYS  40  13.022   0.880   1.482
  280   2HD   LYS  40           HD1      LYS  40  14.350   1.994   1.807
  281   1HE   LYS  40           HE2      LYS  40  14.166  -0.282   3.680
  282   2HE   LYS  40           HE1      LYS  40  14.553  -0.724   2.017
  283   1HZ   LYS  40           HZ2      LYS  40  16.019   1.568   2.779
  284   2HZ   LYS  40           HZ1      LYS  40  16.266   0.332   3.917
  285   3HZ   LYS  40           HZ3      LYS  40  16.596   0.050   2.278
  286    H    LEU  41           HN       LEU  41  12.309   3.016   0.600
  287    HA   LEU  41           HA       LEU  41  14.859   4.307   0.790
  288   1HB   LEU  41           HB2      LEU  41  14.320   2.497  -0.836
  289   2HB   LEU  41           HB1      LEU  41  13.290   3.625  -1.718
  290    HG   LEU  41           HG       LEU  41  15.654   5.036  -1.459
  291   1HD1  LEU  41          HD13      LEU  41  16.458   2.589  -0.715
  292   2HD1  LEU  41          HD12      LEU  41  16.559   2.377  -2.464
  293   3HD1  LEU  41          HD11      LEU  41  17.485   3.655  -1.675
  294   1HD2  LEU  41          HD21      LEU  41  14.023   3.890  -3.498
  295   2HD2  LEU  41          HD23      LEU  41  15.191   5.202  -3.658
  296   3HD2  LEU  41          HD22      LEU  41  15.702   3.532  -3.903
  297    H    PHE  42           HN       PHE  42  11.738   5.592   0.248
  298    HA   PHE  42           HA       PHE  42  12.614   7.926  -1.276
  299   1HB   PHE  42           HB2      PHE  42  10.043   6.941  -0.122
  300   2HB   PHE  42           HB1      PHE  42  10.194   8.673  -0.426
  301    HD1  PHE  42           HD1      PHE  42  11.744   5.841  -2.300
  302    HD2  PHE  42           HD2      PHE  42   8.865   9.028  -2.346
  303    HE1  PHE  42           HE1      PHE  42  11.359   5.457  -4.719
  304    HE2  PHE  42           HE2      PHE  42   8.479   8.645  -4.765
  305    HZ   PHE  42           HZ       PHE  42   9.726   6.859  -5.952
  306    H    LYS  43           HN       LYS  43  10.884   7.866   1.852
  307    HA   LYS  43           HA       LYS  43  12.185  10.362   2.638
  308   1HB   LYS  43           HB2      LYS  43  10.334   8.518   4.176
  309   2HB   LYS  43           HB1      LYS  43  10.838  10.123   4.705
  310   1HG   LYS  43           HG2      LYS  43   9.619   9.810   1.984
  311   2HG   LYS  43           HG1      LYS  43   8.566   9.816   3.399
  312   1HD   LYS  43           HD2      LYS  43   9.921  11.947   4.085
  313   2HD   LYS  43           HD1      LYS  43  10.365  11.998   2.378
  314   1HE   LYS  43           HE2      LYS  43   7.486  11.697   3.213
  315   2HE   LYS  43           HE1      LYS  43   8.239  13.289   3.117
  316   1HZ   LYS  43           HZ2      LYS  43   8.989  12.068   0.805
  317   2HZ   LYS  43           HZ1      LYS  43   7.384  11.552   1.011
  318   3HZ   LYS  43           HZ3      LYS  43   7.740  13.208   0.967
  319    H    LYS  44           HN       LYS  44  13.608   7.518   2.462
  320    HA   LYS  44           HA       LYS  44  14.521   6.995   5.140
  321   1HB   LYS  44           HB2      LYS  44  15.046   5.982   2.481
  322   2HB   LYS  44           HB1      LYS  44  16.562   6.229   3.346
  323   1HG   LYS  44           HG2      LYS  44  14.177   4.720   4.454
  324   2HG   LYS  44           HG1      LYS  44  15.603   3.963   3.745
  325   1HD   LYS  44           HD2      LYS  44  17.000   4.640   5.497
  326   2HD   LYS  44           HD1      LYS  44  15.923   5.954   5.974
  327   1HE   LYS  44           HE2      LYS  44  14.247   4.267   6.720
  328   2HE   LYS  44           HE1      LYS  44  15.397   2.988   6.329
  329   1HZ   LYS  44           HZ1      LYS  44  16.570   5.022   7.947
  330   2HZ   LYS  44           HZ3      LYS  44  15.216   4.337   8.701
  331   3HZ   LYS  44           HZ2      LYS  44  16.502   3.344   8.204
  332    H    PHE  45           HN       PHE  45  15.661   9.051   2.512
  333    HA   PHE  45           HA       PHE  45  17.365  10.495   4.475
  334   1HB   PHE  45           HB2      PHE  45  18.331   8.876   2.208
  335   2HB   PHE  45           HB1      PHE  45  18.993  10.509   2.270
  336    HD1  PHE  45           HD2      PHE  45  20.334  11.261   4.180
  337    HD2  PHE  45           HD1      PHE  45  18.780   7.264   3.975
  338    HE1  PHE  45           HE2      PHE  45  21.866  10.574   6.005
  339    HE2  PHE  45           HE1      PHE  45  20.310   6.574   5.800
  340    HZ   PHE  45           HZ       PHE  45  21.854   8.230   6.816
  341    H    THR  46           HN       THR  46  14.932  10.761   2.394
  342    HA   THR  46           HA       THR  46  14.004  12.573   1.232
  343    HB   THR  46           HB       THR  46  16.251  14.374   2.021
  344    HG1  THR  46           HG1      THR  46  15.160  14.485   4.133
  345   1HG2  THR  46          HG22      THR  46  13.643  14.645   1.061
  346   2HG2  THR  46          HG21      THR  46  13.533  15.098   2.762
  347   3HG2  THR  46          HG23      THR  46  14.662  15.936   1.696
  348    H    SER  47           HN       SER  47  16.407  10.861   0.327
  349    HA   SER  47           HA       SER  47  16.721  12.184  -2.257
  350   1HB   SER  47           HB2      SER  47  18.491  13.416  -1.383
  351   2HB   SER  47           HB1      SER  47  18.927  12.165  -0.222
  352    HG   SER  47           HG       SER  47  19.617  12.471  -2.896
  353    H    LYS  48           HN       LYS  48  18.350  10.784  -3.622
  354    HA   LYS  48           HA       LYS  48  17.495   8.008  -3.315
  355   1HB   LYS  48           HB2      LYS  48  18.763   7.628  -5.394
  356   2HB   LYS  48           HB1      LYS  48  17.716   9.040  -5.551
  357   1HG   LYS  48           HG2      LYS  48  19.706  10.461  -4.873
  358   2HG   LYS  48           HG1      LYS  48  20.699   9.011  -5.038
  359   1HD   LYS  48           HD2      LYS  48  19.936   8.777  -7.389
  360   2HD   LYS  48           HD1      LYS  48  19.007  10.267  -7.219
  361   1HE   LYS  48           HE2      LYS  48  20.988  11.068  -8.151
  362   2HE   LYS  48           HE1      LYS  48  21.306  11.273  -6.429
  363   1HZ   LYS  48           HZ2      LYS  48  22.064   8.828  -7.923
  364   2HZ   LYS  48           HZ1      LYS  48  23.108  10.157  -7.744
  365   3HZ   LYS  48           HZ3      LYS  48  22.577   9.308  -6.376
  366    H    ALA  49           HN       ALA  49  20.257   9.887  -2.392
  367    HA   ALA  49           HA       ALA  49  22.345   8.040  -2.341
  368   1HB   ALA  49           HB3      ALA  49  21.698  10.481  -0.962
  369   2HB   ALA  49           HB2      ALA  49  22.388   9.335   0.187
  370   3HB   ALA  49           HB1      ALA  49  23.287   9.778  -1.264
  371    H    SER  50           HN       SER  50  19.414   8.047  -0.441
  372    HA   SER  50           HA       SER  50  20.102   6.447   1.752
  373   1HB   SER  50           HB2      SER  50  17.677   5.421   1.179
  374   2HB   SER  50           HB1      SER  50  17.882   7.025   1.877
  375    HG   SER  50           HG       SER  50  17.681   6.393  -0.891
   
  No H/Q in entry =         375
  Start of MODEL   12
    1   1H    ALA   1           HT1      ALA   1  -3.347   8.070 -10.324
    2   2H    ALA   1           HT3      ALA   1  -4.968   8.543 -10.170
    3   3H    ALA   1           HT2      ALA   1  -4.010   9.192 -11.414
    4    HA   ALA   1           HA       ALA   1  -3.262  10.812 -10.123
    5   1HB   ALA   1           HB3      ALA   1  -5.678   9.876  -8.995
    6   2HB   ALA   1           HB2      ALA   1  -4.597  10.193  -7.638
    7   3HB   ALA   1           HB1      ALA   1  -4.957  11.473  -8.796
    8    H    GLU   2           HN       GLU   2  -1.556   8.561 -10.102
    9    HA   GLU   2           HA       GLU   2   0.034   9.123  -7.762
   10   1HB   GLU   2           HB2      GLU   2  -1.989   7.203  -7.377
   11   2HB   GLU   2           HB1      GLU   2  -0.498   6.280  -7.577
   12   1HG   GLU   2           HG2      GLU   2   0.552   7.937  -5.911
   13   2HG   GLU   2           HG1      GLU   2  -1.102   8.429  -5.544
   14    H    GLY   3           HN       GLY   3   1.847   7.247  -7.658
   15   1HA   GLY   3           HA2      GLY   3   2.531   6.584 -10.498
   16   2HA   GLY   3           HA1      GLY   3   3.738   7.154  -9.346
   17    H    ASP   4           HN       ASP   4   2.121   5.419  -7.290
   18    HA   ASP   4           HA       ASP   4   2.569   3.327  -6.307
   19   1HB   ASP   4           HB2      ASP   4   1.353   2.973  -8.846
   20   2HB   ASP   4           HB1      ASP   4   2.614   1.746  -8.716
   21    H    ASP   5           HN       ASP   5   4.760   3.670  -5.695
   22    HA   ASP   5           HA       ASP   5   7.024   3.581  -7.354
   23   1HB   ASP   5           HB2      ASP   5   6.868   2.424  -4.556
   24   2HB   ASP   5           HB1      ASP   5   8.301   3.061  -5.363
   25    HA   PRO   6           HA       PRO   6   7.118  -0.641  -8.618
   26   1HB   PRO   6           HB2      PRO   6   9.673  -0.642  -9.633
   27   2HB   PRO   6           HB1      PRO   6   8.288   0.085 -10.470
   28   1HG   PRO   6           HG2      PRO   6  10.532   1.443  -9.039
   29   2HG   PRO   6           HG1      PRO   6   9.498   2.058 -10.340
   30   1HD   PRO   6           HD2      PRO   6   9.243   2.660  -7.567
   31   2HD   PRO   6           HD1      PRO   6   8.067   3.048  -8.841
   32    H    ALA   7           HN       ALA   7   9.656   0.735  -6.586
   33    HA   ALA   7           HA       ALA   7  10.805  -1.827  -5.835
   34   1HB   ALA   7           HB3      ALA   7  12.073   0.315  -5.710
   35   2HB   ALA   7           HB2      ALA   7  10.991   0.856  -4.427
   36   3HB   ALA   7           HB1      ALA   7  12.045  -0.534  -4.164
   37    H    LYS   8           HN       LYS   8   7.861  -0.435  -5.140
   38    HA   LYS   8           HA       LYS   8   7.378  -0.657  -2.428
   39   1HB   LYS   8           HB2      LYS   8   5.797  -0.842  -4.833
   40   2HB   LYS   8           HB1      LYS   8   5.220  -2.019  -3.653
   41   1HG   LYS   8           HG2      LYS   8   4.539  -0.410  -2.174
   42   2HG   LYS   8           HG1      LYS   8   5.855   0.685  -2.602
   43   1HD   LYS   8           HD2      LYS   8   4.737   1.426  -4.570
   44   2HD   LYS   8           HD1      LYS   8   3.571   0.105  -4.493
   45   1HE   LYS   8           HE2      LYS   8   2.364   1.945  -3.648
   46   2HE   LYS   8           HE1      LYS   8   2.909   1.109  -2.194
   47   1HZ   LYS   8           HZ2      LYS   8   4.909   2.636  -2.304
   48   2HZ   LYS   8           HZ1      LYS   8   4.025   3.555  -3.428
   49   3HZ   LYS   8           HZ3      LYS   8   3.434   3.348  -1.852
   50    H    ALA   9           HN       ALA   9   8.105  -3.242  -4.667
   51    HA   ALA   9           HA       ALA   9   7.157  -5.495  -3.284
   52   1HB   ALA   9           HB2      ALA   9   9.580  -5.007  -4.994
   53   2HB   ALA   9           HB1      ALA   9   9.382  -6.563  -4.187
   54   3HB   ALA   9           HB3      ALA   9   8.163  -6.001  -5.331
   55    H    ALA  10           HN       ALA  10  10.594  -4.527  -3.068
   56    HA   ALA  10           HA       ALA  10  11.106  -5.913  -0.660
   57   1HB   ALA  10           HB3      ALA  10  12.759  -4.746  -2.289
   58   2HB   ALA  10           HB2      ALA  10  12.467  -3.306  -1.315
   59   3HB   ALA  10           HB1      ALA  10  13.151  -4.750  -0.569
   60    H    PHE  11           HN       PHE  11   9.979  -2.563  -1.159
   61    HA   PHE  11           HA       PHE  11  10.116  -1.478   1.372
   62   1HB   PHE  11           HB2      PHE  11   8.279  -1.206  -0.883
   63   2HB   PHE  11           HB1      PHE  11   7.479  -0.914   0.662
   64    HD1  PHE  11           HD2      PHE  11   8.727   0.634   2.350
   65    HD2  PHE  11           HD1      PHE  11   9.583   0.488  -1.856
   66    HE1  PHE  11           HE2      PHE  11   9.808   2.862   2.492
   67    HE2  PHE  11           HE1      PHE  11  10.665   2.715  -1.713
   68    HZ   PHE  11           HZ       PHE  11  10.777   3.902   0.461
   69    H    ASP  12           HN       ASP  12   7.625  -3.781   0.262
   70    HA   ASP  12           HA       ASP  12   6.370  -3.999   2.856
   71   1HB   ASP  12           HB2      ASP  12   6.351  -6.065   0.637
   72   2HB   ASP  12           HB1      ASP  12   5.146  -5.846   1.907
   73    H    SER  13           HN       SER  13   8.872  -5.842   1.138
   74    HA   SER  13           HA       SER  13   9.149  -7.870   3.172
   75   1HB   SER  13           HB2      SER  13  10.397  -7.195   0.655
   76   2HB   SER  13           HB1      SER  13  11.631  -7.566   1.855
   77    HG   SER  13           HG       SER  13   9.484  -9.153   0.928
   78    H    LEU  14           HN       LEU  14  11.736  -5.579   2.285
   79    HA   LEU  14           HA       LEU  14  13.203  -5.603   4.606
   80   1HB   LEU  14           HB2      LEU  14  13.817  -3.236   4.149
   81   2HB   LEU  14           HB1      LEU  14  13.835  -4.224   2.688
   82    HG   LEU  14           HG       LEU  14  11.205  -3.316   2.851
   83   1HD1  LEU  14          HD11      LEU  14  12.804  -1.591   4.422
   84   2HD1  LEU  14          HD13      LEU  14  12.514  -0.743   2.903
   85   3HD1  LEU  14          HD12      LEU  14  11.153  -1.309   3.871
   86   1HD2  LEU  14          HD22      LEU  14  12.748  -3.571   0.859
   87   2HD2  LEU  14          HD21      LEU  14  11.776  -2.102   0.839
   88   3HD2  LEU  14          HD23      LEU  14  13.474  -2.027   1.306
   89    H    GLN  15           HN       GLN  15  10.013  -4.167   4.247
   90    HA   GLN  15           HA       GLN  15  10.068  -2.546   6.593
   91   1HB   GLN  15           HB2      GLN  15   7.995  -3.631   4.767
   92   2HB   GLN  15           HB1      GLN  15   7.453  -3.257   6.402
   93   1HG   GLN  15           HG2      GLN  15   9.133  -1.266   4.902
   94   2HG   GLN  15           HG1      GLN  15   7.402  -1.373   4.578
   95   1HE2  GLN  15          HE22      GLN  15   6.794   0.729   7.334
   96   2HE2  GLN  15          HE21      GLN  15   6.509   0.388   5.697
   97    H    ALA  16           HN       ALA  16   8.420  -5.681   6.086
   98    HA   ALA  16           HA       ALA  16   7.964  -6.282   8.764
   99   1HB   ALA  16           HB3      ALA  16   7.046  -7.602   6.883
  100   2HB   ALA  16           HB2      ALA  16   8.659  -8.256   6.599
  101   3HB   ALA  16           HB1      ALA  16   7.806  -8.630   8.097
  102    H    SER  17           HN       SER  17  10.882  -6.212   7.135
  103    HA   SER  17           HA       SER  17  12.311  -7.946   8.994
  104   1HB   SER  17           HB2      SER  17  12.879  -7.358   6.482
  105   2HB   SER  17           HB1      SER  17  13.714  -5.990   7.211
  106    HG   SER  17           HG       SER  17  14.817  -7.534   8.538
  107    H    ALA  18           HN       ALA  18  10.866  -5.365   9.864
  108    HA   ALA  18           HA       ALA  18  11.243  -3.656  11.423
  109   1HB   ALA  18           HB1      ALA  18  13.694  -5.343  12.017
  110   2HB   ALA  18           HB3      ALA  18  13.049  -4.071  13.055
  111   3HB   ALA  18           HB2      ALA  18  12.111  -5.536  12.769
  112    H    THR  19           HN       THR  19  11.733  -2.503   9.223
  113    HA   THR  19           HA       THR  19  14.600  -1.665   9.127
  114    HB   THR  19           HB       THR  19  13.614  -2.494   7.008
  115    HG1  THR  19           HG1      THR  19  14.733  -1.037   6.005
  116   1HG2  THR  19          HG23      THR  19  11.315  -1.337   7.809
  117   2HG2  THR  19          HG22      THR  19  11.920  -0.069   6.743
  118   3HG2  THR  19          HG21      THR  19  11.662  -1.697   6.118
  119    H    GLU  20           HN       GLU  20  11.523  -0.597  10.154
  120    HA   GLU  20           HA       GLU  20  12.615   2.105  10.584
  121   1HB   GLU  20           HB2      GLU  20   9.996   2.698  10.117
  122   2HB   GLU  20           HB1      GLU  20  11.278   2.907   8.929
  123   1HG   GLU  20           HG2      GLU  20  10.861   0.559   8.153
  124   2HG   GLU  20           HG1      GLU  20   9.482   0.490   9.248
  125    H    TYR  21           HN       TYR  21   9.982   0.030  11.158
  126    HA   TYR  21           HA       TYR  21  10.145  -0.084  13.959
  127   1HB   TYR  21           HB2      TYR  21   8.395   1.487  14.663
  128   2HB   TYR  21           HB1      TYR  21   9.683   2.367  13.845
  129    HD1  TYR  21           HD1      TYR  21   6.292   0.905  13.398
  130    HD2  TYR  21           HD2      TYR  21   9.286   3.542  11.804
  131    HE1  TYR  21           HE1      TYR  21   4.657   1.758  11.740
  132    HE2  TYR  21           HE2      TYR  21   7.651   4.396  10.147
  133    HH   TYR  21           HH       TYR  21   4.272   3.614  10.326
  134    H    ILE  22           HN       ILE  22   8.093   0.015  11.102
  135    HA   ILE  22           HA       ILE  22   6.252  -1.904  12.400
  136    HB   ILE  22           HB       ILE  22   4.979  -0.236  11.326
  137   1HG1  ILE  22          HG12      ILE  22   5.154  -2.051   8.964
  138   2HG1  ILE  22          HG11      ILE  22   4.578  -2.690  10.479
  139   1HG2  ILE  22          HG23      ILE  22   6.912  -0.547   9.074
  140   2HG2  ILE  22          HG22      ILE  22   5.445   0.430   9.004
  141   3HG2  ILE  22          HG21      ILE  22   6.726   0.833  10.141
  142   1HD1  ILE  22          HD12      ILE  22   3.077  -0.571  10.566
  143   2HD1  ILE  22          HD11      ILE  22   3.419  -0.466   8.848
  144   3HD1  ILE  22          HD13      ILE  22   2.598  -1.886   9.493
  145    H    GLY  23           HN       GLY  23   8.188  -3.375  12.328
  146   1HA   GLY  23           HA2      GLY  23   8.440  -4.651   9.660
  147   2HA   GLY  23           HA1      GLY  23   9.569  -4.872  10.999
  148    H    TYR  24           HN       TYR  24   6.571  -4.873  12.363
  149    HA   TYR  24           HA       TYR  24   6.572  -7.608  13.040
  150   1HB   TYR  24           HB2      TYR  24   3.984  -6.001  12.780
  151   2HB   TYR  24           HB1      TYR  24   4.335  -7.328  13.888
  152    HD1  TYR  24           HD1      TYR  24   7.289  -5.817  14.146
  153    HD2  TYR  24           HD2      TYR  24   3.167  -4.899  14.877
  154    HE1  TYR  24           HE1      TYR  24   7.953  -4.085  15.758
  155    HE2  TYR  24           HE2      TYR  24   3.822  -3.177  16.495
  156    HH   TYR  24           HH       TYR  24   6.149  -2.892  18.038
  157    H    ALA  25           HN       ALA  25   5.760  -5.893  10.122
  158    HA   ALA  25           HA       ALA  25   5.640  -7.117   8.008
  159   1HB   ALA  25           HB1      ALA  25   5.841  -9.325   9.284
  160   2HB   ALA  25           HB3      ALA  25   4.083  -9.287   9.419
  161   3HB   ALA  25           HB2      ALA  25   4.844  -9.351   7.830
  162    H    TRP  26           HN       TRP  26   3.796  -5.318   9.616
  163    HA   TRP  26           HA       TRP  26   1.352  -5.927   8.010
  164   1HB   TRP  26           HB2      TRP  26   0.009  -5.235   9.716
  165   2HB   TRP  26           HB1      TRP  26   1.338  -5.927  10.620
  166    HD1  TRP  26           HD1      TRP  26  -0.493  -2.744  10.063
  167    HE1  TRP  26           HE1      TRP  26   0.519  -0.912  11.554
  168    HE3  TRP  26           HE3      TRP  26   3.762  -4.956  11.444
  169    HZ2  TRP  26           HZ2      TRP  26   2.801  -0.556  13.162
  170    HZ3  TRP  26           HZ3      TRP  26   5.347  -3.836  12.952
  171    HH2  TRP  26           HH2      TRP  26   4.869  -1.609  13.806
  172    H    ALA  27           HN       ALA  27   3.842  -4.329   7.603
  173    HA   ALA  27           HA       ALA  27   3.214  -1.607   7.483
  174   1HB   ALA  27           HB2      ALA  27   5.234  -3.376   6.225
  175   2HB   ALA  27           HB1      ALA  27   4.903  -1.859   5.390
  176   3HB   ALA  27           HB3      ALA  27   5.464  -1.841   7.061
  177    H    MET  28           HN       MET  28   2.967  -4.199   5.142
  178    HA   MET  28           HA       MET  28   1.537  -2.613   3.270
  179   1HB   MET  28           HB2      MET  28   1.434  -4.577   1.915
  180   2HB   MET  28           HB1      MET  28   3.017  -4.600   2.690
  181   1HG   MET  28           HG2      MET  28   1.381  -5.870   4.543
  182   2HG   MET  28           HG1      MET  28   0.778  -6.458   2.993
  183   1HE   MET  28           HE2      MET  28   2.315  -7.956   5.480
  184   2HE   MET  28           HE1      MET  28   4.049  -8.179   5.266
  185   3HE   MET  28           HE3      MET  28   3.400  -6.582   5.672
  186    H    VAL  29           HN       VAL  29   0.816  -4.403   6.066
  187    HA   VAL  29           HA       VAL  29  -1.816  -5.311   5.529
  188    HB   VAL  29           HB       VAL  29  -0.264  -4.609   8.030
  189   1HG1  VAL  29          HG13      VAL  29  -2.567  -3.710   8.412
  190   2HG1  VAL  29          HG12      VAL  29  -3.234  -5.291   8.005
  191   3HG1  VAL  29          HG11      VAL  29  -2.217  -5.105   9.435
  192   1HG2  VAL  29          HG21      VAL  29  -0.144  -6.829   6.817
  193   2HG2  VAL  29          HG23      VAL  29  -0.631  -6.947   8.508
  194   3HG2  VAL  29          HG22      VAL  29  -1.840  -7.081   7.231
  195    H    VAL  30           HN       VAL  30  -1.020  -2.391   7.465
  196    HA   VAL  30           HA       VAL  30  -3.660  -1.273   6.921
  197    HB   VAL  30           HB       VAL  30  -1.211  -0.277   8.385
  198   1HG1  VAL  30          HG11      VAL  30  -2.282   1.648   7.227
  199   2HG1  VAL  30          HG13      VAL  30  -3.823   1.214   7.968
  200   3HG1  VAL  30          HG12      VAL  30  -2.477   1.742   8.977
  201   1HG2  VAL  30          HG21      VAL  30  -2.846  -1.989   9.358
  202   2HG2  VAL  30          HG23      VAL  30  -2.590  -0.537  10.325
  203   3HG2  VAL  30          HG22      VAL  30  -4.050  -0.701   9.349
  204    H    VAL  31           HN       VAL  31  -0.316  -0.484   5.903
  205    HA   VAL  31           HA       VAL  31  -0.855   1.832   4.417
  206    HB   VAL  31           HB       VAL  31   1.062  -0.416   3.764
  207   1HG1  VAL  31          HG12      VAL  31   0.916   2.445   2.773
  208   2HG1  VAL  31          HG11      VAL  31   2.272   1.353   2.487
  209   3HG1  VAL  31          HG13      VAL  31   0.687   0.989   1.803
  210   1HG2  VAL  31          HG22      VAL  31   1.420   2.207   5.248
  211   2HG2  VAL  31          HG21      VAL  31   1.398   0.606   5.987
  212   3HG2  VAL  31          HG23      VAL  31   2.706   1.054   4.891
  213    H    ILE  32           HN       ILE  32  -1.020  -1.562   3.271
  214    HA   ILE  32           HA       ILE  32  -1.919  -0.846   0.655
  215    HB   ILE  32           HB       ILE  32  -1.078  -3.118   1.591
  216   1HG1  ILE  32          HG12      ILE  32  -2.863  -4.069  -0.291
  217   2HG1  ILE  32          HG11      ILE  32  -2.703  -2.355  -0.678
  218   1HG2  ILE  32          HG22      ILE  32  -4.059  -3.443   1.854
  219   2HG2  ILE  32          HG21      ILE  32  -2.891  -4.761   1.928
  220   3HG2  ILE  32          HG23      ILE  32  -2.900  -3.519   3.179
  221   1HD1  ILE  32          HD12      ILE  32  -0.155  -3.707  -0.050
  222   2HD1  ILE  32          HD11      ILE  32  -0.951  -4.288  -1.513
  223   3HD1  ILE  32          HD13      ILE  32  -0.541  -2.580  -1.351
  224    H    VAL  33           HN       VAL  33  -3.792  -1.934   3.529
  225    HA   VAL  33           HA       VAL  33  -6.318  -1.819   2.362
  226    HB   VAL  33           HB       VAL  33  -5.595  -0.716   5.107
  227   1HG1  VAL  33          HG12      VAL  33  -7.911  -0.214   4.093
  228   2HG1  VAL  33          HG11      VAL  33  -8.214  -1.946   4.235
  229   3HG1  VAL  33          HG13      VAL  33  -7.884  -0.987   5.678
  230   1HG2  VAL  33          HG23      VAL  33  -5.114  -3.249   4.207
  231   2HG2  VAL  33          HG22      VAL  33  -5.488  -2.862   5.887
  232   3HG2  VAL  33          HG21      VAL  33  -6.764  -3.421   4.806
  233    H    GLY  34           HN       GLY  34  -4.111   0.781   2.999
  234   1HA   GLY  34           HA2      GLY  34  -6.077   2.905   2.672
  235   2HA   GLY  34           HA1      GLY  34  -4.321   3.083   2.506
  236    H    ALA  35           HN       ALA  35  -3.664   1.324   0.596
  237    HA   ALA  35           HA       ALA  35  -4.480   2.592  -1.843
  238   1HB   ALA  35           HB1      ALA  35  -2.496   0.744  -1.026
  239   2HB   ALA  35           HB3      ALA  35  -3.411  -0.041  -2.313
  240   3HB   ALA  35           HB2      ALA  35  -2.652   1.525  -2.600
  241    H    THR  36           HN       THR  36  -5.273  -0.746  -0.559
  242    HA   THR  36           HA       THR  36  -6.959  -1.471  -2.706
  243    HB   THR  36           HB       THR  36  -7.260  -2.191   0.224
  244    HG1  THR  36           HG1      THR  36  -5.905  -3.861  -0.263
  245   1HG2  THR  36          HG22      THR  36  -8.510  -3.165  -2.310
  246   2HG2  THR  36          HG21      THR  36  -8.140  -4.347  -1.054
  247   3HG2  THR  36          HG23      THR  36  -9.217  -2.996  -0.703
  248    H    ILE  37           HN       ILE  37  -8.094  -0.282   0.479
  249    HA   ILE  37           HA       ILE  37 -10.775   0.220  -0.390
  250    HB   ILE  37           HB       ILE  37  -9.291   1.645   1.827
  251   1HG1  ILE  37          HG12      ILE  37  -8.975  -0.750   2.100
  252   2HG1  ILE  37          HG11      ILE  37 -10.199  -0.219   3.254
  253   1HG2  ILE  37          HG23      ILE  37 -11.924   1.870   0.837
  254   2HG2  ILE  37          HG22      ILE  37 -12.052   0.924   2.320
  255   3HG2  ILE  37          HG21      ILE  37 -11.301   2.520   2.353
  256   1HD1  ILE  37          HD12      ILE  37 -11.922  -0.841   1.440
  257   2HD1  ILE  37          HD11      ILE  37 -10.600  -1.708   0.660
  258   3HD1  ILE  37          HD13      ILE  37 -11.123  -2.171   2.280
  259    H    GLY  38           HN       GLY  38  -7.895   2.053  -0.862
  260   1HA   GLY  38           HA2      GLY  38  -9.173   4.638  -1.213
  261   2HA   GLY  38           HA1      GLY  38  -7.522   4.232  -1.692
  262    H    ILE  39           HN       ILE  39  -7.408   2.697  -3.610
  263    HA   ILE  39           HA       ILE  39  -8.792   3.838  -5.825
  264    HB   ILE  39           HB       ILE  39  -7.364   1.170  -5.654
  265   1HG1  ILE  39          HG12      ILE  39  -6.072   3.662  -6.693
  266   2HG1  ILE  39          HG11      ILE  39  -6.195   3.461  -4.945
  267   1HG2  ILE  39          HG21      ILE  39  -8.249   2.973  -7.903
  268   2HG2  ILE  39          HG23      ILE  39  -6.896   1.863  -8.117
  269   3HG2  ILE  39          HG22      ILE  39  -8.496   1.236  -7.722
  270   1HD1  ILE  39          HD12      ILE  39  -5.098   1.294  -6.744
  271   2HD1  ILE  39          HD11      ILE  39  -4.071   2.537  -6.030
  272   3HD1  ILE  39          HD13      ILE  39  -4.957   1.421  -4.991
  273    H    LYS  40           HN       LYS  40  -9.771   1.625  -3.423
  274    HA   LYS  40           HA       LYS  40 -11.486  -0.048  -5.081
  275   1HB   LYS  40           HB2      LYS  40 -10.883  -0.914  -2.928
  276   2HB   LYS  40           HB1      LYS  40 -11.442   0.546  -2.111
  277   1HG   LYS  40           HG2      LYS  40 -13.574  -0.557  -3.718
  278   2HG   LYS  40           HG1      LYS  40 -12.936  -1.794  -2.635
  279   1HD   LYS  40           HD2      LYS  40 -13.048   0.465  -1.024
  280   2HD   LYS  40           HD1      LYS  40 -14.508   0.591  -2.005
  281   1HE   LYS  40           HE2      LYS  40 -13.944  -2.120  -0.979
  282   2HE   LYS  40           HE1      LYS  40 -14.318  -0.923   0.262
  283   1HZ   LYS  40           HZ1      LYS  40 -16.310  -0.326  -1.019
  284   2HZ   LYS  40           HZ3      LYS  40 -15.966  -1.564  -2.125
  285   3HZ   LYS  40           HZ2      LYS  40 -16.334  -1.947  -0.511
  286    H    LEU  41           HN       LEU  41 -12.243   2.653  -2.828
  287    HA   LEU  41           HA       LEU  41 -14.964   2.848  -3.894
  288   1HB   LEU  41           HB2      LEU  41 -13.760   3.603  -1.528
  289   2HB   LEU  41           HB1      LEU  41 -13.967   5.146  -2.359
  290    HG   LEU  41           HG       LEU  41 -15.982   4.765  -1.114
  291   1HD1  LEU  41          HD11      LEU  41 -16.114   5.463  -3.596
  292   2HD1  LEU  41          HD13      LEU  41 -16.672   3.817  -3.896
  293   3HD1  LEU  41          HD12      LEU  41 -17.599   4.884  -2.842
  294   1HD2  LEU  41          HD23      LEU  41 -15.531   2.265  -0.899
  295   2HD2  LEU  41          HD22      LEU  41 -17.217   2.706  -1.163
  296   3HD2  LEU  41          HD21      LEU  41 -16.249   2.084  -2.499
  297    H    PHE  42           HN       PHE  42 -11.884   4.366  -4.541
  298    HA   PHE  42           HA       PHE  42 -13.047   6.641  -5.963
  299   1HB   PHE  42           HB2      PHE  42 -10.270   5.566  -5.555
  300   2HB   PHE  42           HB1      PHE  42 -10.563   6.767  -6.812
  301    HD1  PHE  42           HD1      PHE  42 -11.599   6.169  -3.248
  302    HD2  PHE  42           HD2      PHE  42 -10.243   8.982  -6.197
  303    HE1  PHE  42           HE1      PHE  42 -11.597   7.962  -1.536
  304    HE2  PHE  42           HE2      PHE  42 -10.242  10.776  -4.485
  305    HZ   PHE  42           HZ       PHE  42 -10.919  10.266  -2.154
  306    H    LYS  43           HN       LYS  43 -11.254   3.719  -6.966
  307    HA   LYS  43           HA       LYS  43 -11.629   4.166  -9.777
  308   1HB   LYS  43           HB2      LYS  43  -9.896   2.653  -8.727
  309   2HB   LYS  43           HB1      LYS  43 -11.192   1.499  -8.410
  310   1HG   LYS  43           HG2      LYS  43 -11.716   1.840 -10.972
  311   2HG   LYS  43           HG1      LYS  43 -10.035   2.368 -11.035
  312   1HD   LYS  43           HD2      LYS  43  -9.314   0.253 -10.007
  313   2HD   LYS  43           HD1      LYS  43 -10.993  -0.279  -9.910
  314   1HE   LYS  43           HE2      LYS  43 -11.204  -0.406 -12.274
  315   2HE   LYS  43           HE1      LYS  43  -9.726   0.520 -12.532
  316   1HZ   LYS  43           HZ3      LYS  43  -8.641  -1.412 -11.236
  317   2HZ   LYS  43           HZ2      LYS  43 -10.038  -2.276 -11.668
  318   3HZ   LYS  43           HZ1      LYS  43  -9.029  -1.630 -12.872
  319    H    LYS  44           HN       LYS  44 -13.551   2.487  -7.331
  320    HA   LYS  44           HA       LYS  44 -15.336   1.253  -9.273
  321   1HB   LYS  44           HB2      LYS  44 -15.387   1.638  -6.290
  322   2HB   LYS  44           HB1      LYS  44 -16.806   1.029  -7.142
  323   1HG   LYS  44           HG2      LYS  44 -14.286  -0.277  -7.928
  324   2HG   LYS  44           HG1      LYS  44 -14.741  -0.544  -6.245
  325   1HD   LYS  44           HD2      LYS  44 -16.491  -1.865  -6.812
  326   2HD   LYS  44           HD1      LYS  44 -17.001  -0.774  -8.101
  327   1HE   LYS  44           HE2      LYS  44 -16.036  -2.077  -9.662
  328   2HE   LYS  44           HE1      LYS  44 -14.496  -2.035  -8.802
  329   1HZ   LYS  44           HZ1      LYS  44 -15.373  -3.775  -7.320
  330   2HZ   LYS  44           HZ3      LYS  44 -16.771  -3.866  -8.274
  331   3HZ   LYS  44           HZ2      LYS  44 -15.264  -4.285  -8.937
  332    H    PHE  45           HN       PHE  45 -14.995   4.408  -8.041
  333    HA   PHE  45           HA       PHE  45 -17.508   5.480  -7.714
  334   1HB   PHE  45           HB2      PHE  45 -15.169   6.651  -7.963
  335   2HB   PHE  45           HB1      PHE  45 -15.659   6.852  -9.645
  336    HD1  PHE  45           HD1      PHE  45 -16.784   7.456  -6.135
  337    HD2  PHE  45           HD2      PHE  45 -17.167   8.558 -10.269
  338    HE1  PHE  45           HE1      PHE  45 -18.216   9.376  -5.490
  339    HE2  PHE  45           HE2      PHE  45 -18.599  10.478  -9.625
  340    HZ   PHE  45           HZ       PHE  45 -19.124  10.887  -7.236
  341    H    THR  46           HN       THR  46 -16.033   4.654 -10.850
  342    HA   THR  46           HA       THR  46 -18.202   3.688 -12.144
  343    HB   THR  46           HB       THR  46 -18.669   6.025 -13.487
  344    HG1  THR  46           HG1      THR  46 -17.430   7.096 -11.822
  345   1HG2  THR  46          HG21      THR  46 -20.040   4.470 -11.373
  346   2HG2  THR  46          HG23      THR  46 -20.657   6.099 -11.647
  347   3HG2  THR  46          HG22      THR  46 -20.607   4.940 -12.976
  348    H    SER  47           HN       SER  47 -15.340   3.597 -12.255
  349    HA   SER  47           HA       SER  47 -14.947   3.457 -15.074
  350   1HB   SER  47           HB2      SER  47 -13.654   5.352 -15.535
  351   2HB   SER  47           HB1      SER  47 -14.955   5.993 -14.541
  352    HG   SER  47           HG       SER  47 -13.540   6.472 -13.069
  353    H    LYS  48           HN       LYS  48 -12.076   4.148 -14.913
  354    HA   LYS  48           HA       LYS  48 -11.205   1.873 -13.177
  355   1HB   LYS  48           HB2      LYS  48 -10.377   2.787 -15.905
  356   2HB   LYS  48           HB1      LYS  48  -9.167   2.024 -14.873
  357   1HG   LYS  48           HG2      LYS  48 -10.842   0.141 -14.503
  358   2HG   LYS  48           HG1      LYS  48 -11.802   0.858 -15.798
  359   1HD   LYS  48           HD2      LYS  48 -10.537  -0.296 -17.261
  360   2HD   LYS  48           HD1      LYS  48  -9.189   0.752 -16.814
  361   1HE   LYS  48           HE2      LYS  48  -8.503  -1.558 -16.500
  362   2HE   LYS  48           HE1      LYS  48  -8.681  -0.804 -14.915
  363   1HZ   LYS  48           HZ2      LYS  48 -10.892  -1.763 -14.745
  364   2HZ   LYS  48           HZ1      LYS  48 -10.712  -2.497 -16.267
  365   3HZ   LYS  48           HZ3      LYS  48  -9.725  -2.978 -14.974
  366    H    ALA  49           HN       ALA  49 -11.139   5.197 -13.406
  367    HA   ALA  49           HA       ALA  49  -8.971   5.359 -11.439
  368   1HB   ALA  49           HB2      ALA  49  -8.570   6.056 -14.257
  369   2HB   ALA  49           HB1      ALA  49  -8.204   7.391 -13.164
  370   3HB   ALA  49           HB3      ALA  49  -7.379   5.844 -12.973
  371    H    SER  50           HN       SER  50 -11.697   5.890 -11.145
  372    HA   SER  50           HA       SER  50 -13.078   7.557 -10.230
  373   1HB   SER  50           HB2      SER  50 -10.468   8.375  -9.640
  374   2HB   SER  50           HB1      SER  50 -11.218   9.793 -10.366
  375    HG   SER  50           HG       SER  50 -12.879   9.628  -8.855
   
  No H/Q in entry =         375
  Start of MODEL   13
    1   1H    ALA   1           HT1      ALA   1  12.517   8.701 -16.999
    2   2H    ALA   1           HT3      ALA   1  10.996   8.943 -17.706
    3   3H    ALA   1           HT2      ALA   1  12.353   9.765 -18.313
    4    HA   ALA   1           HA       ALA   1  12.321  11.330 -16.717
    5   1HB   ALA   1           HB1      ALA   1   9.950  11.033 -17.740
    6   2HB   ALA   1           HB3      ALA   1   9.522  10.344 -16.174
    7   3HB   ALA   1           HB2      ALA   1  10.101  12.006 -16.277
    8    H    GLU   2           HN       GLU   2  12.767  11.709 -14.553
    9    HA   GLU   2           HA       GLU   2  12.798   9.337 -12.799
   10   1HB   GLU   2           HB2      GLU   2  14.726  11.021 -13.045
   11   2HB   GLU   2           HB1      GLU   2  13.737  12.115 -12.078
   12   1HG   GLU   2           HG2      GLU   2  13.533  10.134 -10.419
   13   2HG   GLU   2           HG1      GLU   2  14.911   9.455 -11.286
   14    H    GLY   3           HN       GLY   3  10.952   8.933 -11.679
   15   1HA   GLY   3           HA2      GLY   3   9.471  11.285 -10.564
   16   2HA   GLY   3           HA1      GLY   3   8.664   9.809 -11.097
   17    H    ASP   4           HN       ASP   4   9.034   7.843  -9.848
   18    HA   ASP   4           HA       ASP   4  10.334   8.198  -7.210
   19   1HB   ASP   4           HB2      ASP   4   7.417   7.966  -7.673
   20   2HB   ASP   4           HB1      ASP   4   8.070   6.912  -6.419
   21    H    ASP   5           HN       ASP   5  10.589   6.076  -6.092
   22    HA   ASP   5           HA       ASP   5   9.914   3.558  -6.995
   23   1HB   ASP   5           HB2      ASP   5  11.644   4.866  -8.910
   24   2HB   ASP   5           HB1      ASP   5  12.449   3.446  -8.243
   25    HA   PRO   6           HA       PRO   6  14.083   3.242  -4.697
   26   1HB   PRO   6           HB2      PRO   6  15.563   5.536  -4.383
   27   2HB   PRO   6           HB1      PRO   6  15.738   4.434  -5.762
   28   1HG   PRO   6           HG2      PRO   6  14.428   7.121  -5.666
   29   2HG   PRO   6           HG1      PRO   6  15.162   6.282  -7.043
   30   1HD   PRO   6           HD2      PRO   6  12.384   6.472  -6.500
   31   2HD   PRO   6           HD1      PRO   6  13.145   5.390  -7.683
   32    H    ALA   7           HN       ALA   7  11.520   5.121  -4.041
   33    HA   ALA   7           HA       ALA   7  12.429   5.754  -1.264
   34   1HB   ALA   7           HB1      ALA   7  10.195   6.994  -2.900
   35   2HB   ALA   7           HB3      ALA   7  10.561   7.399  -1.223
   36   3HB   ALA   7           HB2      ALA   7  11.733   7.754  -2.492
   37    H    LYS   8           HN       LYS   8   9.662   4.553  -3.180
   38    HA   LYS   8           HA       LYS   8   8.245   3.640  -0.797
   39   1HB   LYS   8           HB2      LYS   8   6.799   2.454  -2.546
   40   2HB   LYS   8           HB1      LYS   8   6.868   4.213  -2.661
   41   1HG   LYS   8           HG2      LYS   8   8.124   4.179  -4.592
   42   2HG   LYS   8           HG1      LYS   8   8.923   2.664  -4.169
   43   1HD   LYS   8           HD2      LYS   8   6.909   1.399  -4.693
   44   2HD   LYS   8           HD1      LYS   8   6.015   2.890  -4.993
   45   1HE   LYS   8           HE2      LYS   8   8.520   2.190  -6.531
   46   2HE   LYS   8           HE1      LYS   8   6.920   1.669  -7.060
   47   1HZ   LYS   8           HZ3      LYS   8   7.202   4.476  -6.353
   48   2HZ   LYS   8           HZ2      LYS   8   7.993   3.979  -7.772
   49   3HZ   LYS   8           HZ1      LYS   8   6.316   3.756  -7.606
   50    H    ALA   9           HN       ALA   9  10.438   2.226  -3.163
   51    HA   ALA   9           HA       ALA   9   9.994  -0.517  -2.648
   52   1HB   ALA   9           HB2      ALA   9  12.295   1.112  -3.620
   53   2HB   ALA   9           HB1      ALA   9  12.652  -0.524  -3.065
   54   3HB   ALA   9           HB3      ALA   9  11.498  -0.269  -4.374
   55    H    ALA  10           HN       ALA  10  12.613   1.467  -1.195
   56    HA   ALA  10           HA       ALA  10  13.217  -0.429   0.852
   57   1HB   ALA  10           HB2      ALA  10  13.614   2.577   0.842
   58   2HB   ALA  10           HB1      ALA  10  14.362   1.459   1.982
   59   3HB   ALA  10           HB3      ALA  10  14.770   1.375   0.269
   60    H    PHE  11           HN       PHE  11  10.972   2.339   0.790
   61    HA   PHE  11           HA       PHE  11  10.242   2.546   3.447
   62   1HB   PHE  11           HB2      PHE  11   8.958   3.065   0.917
   63   2HB   PHE  11           HB1      PHE  11   7.780   2.412   2.058
   64    HD1  PHE  11           HD1      PHE  11  10.830   4.411   2.818
   65    HD2  PHE  11           HD2      PHE  11   6.539   4.333   2.687
   66    HE1  PHE  11           HE1      PHE  11  10.757   6.590   3.997
   67    HE2  PHE  11           HE2      PHE  11   6.463   6.513   3.865
   68    HZ   PHE  11           HZ       PHE  11   8.573   7.643   4.521
   69    H    ASP  12           HN       ASP  12   8.980   0.112   1.156
   70    HA   ASP  12           HA       ASP  12   7.475  -1.320   3.142
   71   1HB   ASP  12           HB2      ASP  12   8.605  -2.108   0.447
   72   2HB   ASP  12           HB1      ASP  12   7.661  -3.221   1.438
   73    H    SER  13           HN       SER  13  10.785  -1.651   1.882
   74    HA   SER  13           HA       SER  13  11.423  -4.018   3.410
   75   1HB   SER  13           HB2      SER  13  12.720  -3.312   1.421
   76   2HB   SER  13           HB1      SER  13  13.269  -1.882   2.289
   77    HG   SER  13           HG       SER  13  14.386  -4.232   2.275
   78    H    LEU  14           HN       LEU  14  13.077  -0.879   3.853
   79    HA   LEU  14           HA       LEU  14  13.963  -1.185   6.434
   80   1HB   LEU  14           HB2      LEU  14  13.862   1.235   6.708
   81   2HB   LEU  14           HB1      LEU  14  14.310   0.858   5.046
   82    HG   LEU  14           HG       LEU  14  11.668   0.945   4.698
   83   1HD1  LEU  14          HD13      LEU  14  12.155   2.129   7.342
   84   2HD1  LEU  14          HD12      LEU  14  11.254   3.184   6.253
   85   3HD1  LEU  14          HD11      LEU  14  10.645   1.571   6.622
   86   1HD2  LEU  14          HD22      LEU  14  13.724   2.474   3.910
   87   2HD2  LEU  14          HD21      LEU  14  12.053   2.959   3.627
   88   3HD2  LEU  14          HD23      LEU  14  12.947   3.631   4.991
   89    H    GLN  15           HN       GLN  15  10.585  -0.840   5.523
   90    HA   GLN  15           HA       GLN  15   9.633  -0.154   8.151
   91   1HB   GLN  15           HB2      GLN  15   8.417  -0.974   5.560
   92   2HB   GLN  15           HB1      GLN  15   7.479  -1.306   7.014
   93   1HG   GLN  15           HG2      GLN  15   8.131   1.171   7.635
   94   2HG   GLN  15           HG1      GLN  15   8.352   1.333   5.896
   95   1HE2  GLN  15          HE22      GLN  15   4.595   0.998   7.427
   96   2HE2  GLN  15          HE21      GLN  15   5.955   0.866   8.433
   97    H    ALA  16           HN       ALA  16   9.631  -3.170   6.220
   98    HA   ALA  16           HA       ALA  16   8.701  -4.878   8.236
   99   1HB   ALA  16           HB2      ALA  16   9.214  -5.368   5.734
  100   2HB   ALA  16           HB1      ALA  16  10.819  -5.783   6.336
  101   3HB   ALA  16           HB3      ALA  16   9.406  -6.670   6.909
  102    H    SER  17           HN       SER  17  11.604  -3.247   8.011
  103    HA   SER  17           HA       SER  17  13.113  -5.018   9.771
  104   1HB   SER  17           HB2      SER  17  13.653  -2.280   8.624
  105   2HB   SER  17           HB1      SER  17  14.736  -3.030   9.792
  106    HG   SER  17           HG       SER  17  13.907  -4.151   7.309
  107    H    ALA  18           HN       ALA  18  10.498  -3.569  10.568
  108    HA   ALA  18           HA       ALA  18   9.601  -2.622  12.505
  109   1HB   ALA  18           HB1      ALA  18  12.222  -3.704  13.563
  110   2HB   ALA  18           HB3      ALA  18  10.976  -3.002  14.595
  111   3HB   ALA  18           HB2      ALA  18  10.632  -4.460  13.665
  112    H    THR  19           HN       THR  19  10.135  -0.569  11.133
  113    HA   THR  19           HA       THR  19  12.162   1.076  12.597
  114    HB   THR  19           HB       THR  19  12.293   0.762  10.033
  115    HG1  THR  19           HG1      THR  19  12.391   3.345  10.069
  116   1HG2  THR  19          HG21      THR  19   9.839   1.163   9.684
  117   2HG2  THR  19          HG23      THR  19  10.097   2.845  10.149
  118   3HG2  THR  19          HG22      THR  19  10.870   2.202   8.701
  119    H    GLU  20           HN       GLU  20   8.762   0.719  12.019
  120    HA   GLU  20           HA       GLU  20   8.309   3.242  13.502
  121   1HB   GLU  20           HB2      GLU  20   5.967   2.887  12.085
  122   2HB   GLU  20           HB1      GLU  20   7.212   4.071  11.709
  123   1HG   GLU  20           HG2      GLU  20   8.357   2.222  10.370
  124   2HG   GLU  20           HG1      GLU  20   6.861   1.312  10.540
  125    H    TYR  21           HN       TYR  21   6.966   0.261  12.561
  126    HA   TYR  21           HA       TYR  21   6.321  -0.722  15.106
  127   1HB   TYR  21           HB2      TYR  21   3.903  -0.279  15.262
  128   2HB   TYR  21           HB1      TYR  21   4.792   1.242  15.248
  129    HD1  TYR  21           HD2      TYR  21   2.808  -1.101  13.162
  130    HD2  TYR  21           HD1      TYR  21   4.545   2.816  13.458
  131    HE1  TYR  21           HE2      TYR  21   1.550  -0.392  11.147
  132    HE2  TYR  21           HE1      TYR  21   3.287   3.525  11.441
  133    HH   TYR  21           HH       TYR  21   0.832   2.441  10.335
  134    H    ILE  22           HN       ILE  22   5.402  -0.437  11.714
  135    HA   ILE  22           HA       ILE  22   4.423  -3.233  11.789
  136    HB   ILE  22           HB       ILE  22   2.876  -1.931  10.579
  137   1HG1  ILE  22          HG12      ILE  22   4.588  -2.650   8.240
  138   2HG1  ILE  22          HG11      ILE  22   3.971  -3.918   9.260
  139   1HG2  ILE  22          HG22      ILE  22   5.263  -0.712   9.264
  140   2HG2  ILE  22          HG21      ILE  22   3.588  -0.394   8.815
  141   3HG2  ILE  22          HG23      ILE  22   4.171   0.054  10.409
  142   1HD1  ILE  22          HD12      ILE  22   1.694  -2.669   9.045
  143   2HD1  ILE  22          HD11      ILE  22   2.444  -1.928   7.643
  144   3HD1  ILE  22          HD13      ILE  22   2.237  -3.677   7.702
  145    H    GLY  23           HN       GLY  23   6.698  -3.835  12.238
  146   1HA   GLY  23           HA2      GLY  23   8.281  -3.907   9.726
  147   2HA   GLY  23           HA1      GLY  23   8.956  -4.133  11.341
  148    H    TYR  24           HN       TYR  24   6.039  -5.679  11.377
  149    HA   TYR  24           HA       TYR  24   7.097  -8.284  11.527
  150   1HB   TYR  24           HB2      TYR  24   4.259  -7.750  10.525
  151   2HB   TYR  24           HB1      TYR  24   4.842  -9.132  11.449
  152    HD1  TYR  24           HD1      TYR  24   6.558  -6.809  13.105
  153    HD2  TYR  24           HD2      TYR  24   2.458  -7.756  12.278
  154    HE1  TYR  24           HE1      TYR  24   5.860  -5.568  15.111
  155    HE2  TYR  24           HE2      TYR  24   1.756  -6.526  14.286
  156    HH   TYR  24           HH       TYR  24   3.952  -5.534  16.696
  157    H    ALA  25           HN       ALA  25   6.477  -6.157   8.849
  158    HA   ALA  25           HA       ALA  25   7.523  -6.567   6.685
  159   1HB   ALA  25           HB2      ALA  25   8.403  -8.811   7.582
  160   2HB   ALA  25           HB1      ALA  25   6.897  -9.507   6.987
  161   3HB   ALA  25           HB3      ALA  25   8.017  -8.739   5.863
  162    H    TRP  26           HN       TRP  26   4.757  -6.128   7.651
  163    HA   TRP  26           HA       TRP  26   3.388  -7.163   5.206
  164   1HB   TRP  26           HB2      TRP  26   1.521  -7.671   6.397
  165   2HB   TRP  26           HB1      TRP  26   2.735  -7.964   7.618
  166    HD1  TRP  26           HD1      TRP  26  -0.181  -5.754   6.831
  167    HE1  TRP  26           HE1      TRP  26  -0.636  -4.233   8.857
  168    HE3  TRP  26           HE3      TRP  26   3.987  -6.480   9.456
  169    HZ2  TRP  26           HZ2      TRP  26   0.627  -3.552  11.281
  170    HZ3  TRP  26           HZ3      TRP  26   4.349  -5.375  11.623
  171    HH2  TRP  26           HH2      TRP  26   2.656  -3.883  12.535
  172    H    ALA  27           HN       ALA  27   4.852  -4.717   5.859
  173    HA   ALA  27           HA       ALA  27   3.151  -2.527   6.129
  174   1HB   ALA  27           HB1      ALA  27   5.637  -2.349   6.214
  175   2HB   ALA  27           HB3      ALA  27   5.685  -2.666   4.481
  176   3HB   ALA  27           HB2      ALA  27   4.926  -1.195   5.087
  177    H    MET  28           HN       MET  28   4.252  -4.326   3.343
  178    HA   MET  28           HA       MET  28   2.733  -2.857   1.465
  179   1HB   MET  28           HB2      MET  28   4.792  -4.240   0.941
  180   2HB   MET  28           HB1      MET  28   3.775  -5.665   1.151
  181   1HG   MET  28           HG2      MET  28   2.201  -4.318  -0.543
  182   2HG   MET  28           HG1      MET  28   3.749  -3.622  -1.022
  183   1HE   MET  28           HE1      MET  28   3.798  -4.397  -3.298
  184   2HE   MET  28           HE3      MET  28   5.385  -4.713  -2.579
  185   3HE   MET  28           HE2      MET  28   4.657  -5.890  -3.669
  186    H    VAL  29           HN       VAL  29   2.163  -5.466   3.636
  187    HA   VAL  29           HA       VAL  29  -0.084  -6.692   2.377
  188    HB   VAL  29           HB       VAL  29   0.824  -6.482   5.272
  189   1HG1  VAL  29          HG12      VAL  29  -1.688  -6.578   5.157
  190   2HG1  VAL  29          HG11      VAL  29  -1.551  -8.075   4.232
  191   3HG1  VAL  29          HG13      VAL  29  -0.967  -8.009   5.896
  192   1HG2  VAL  29          HG21      VAL  29   2.044  -7.945   3.631
  193   2HG2  VAL  29          HG23      VAL  29   1.311  -8.849   4.956
  194   3HG2  VAL  29          HG22      VAL  29   0.545  -8.838   3.367
  195    H    VAL  30           HN       VAL  30  -0.322  -4.652   5.295
  196    HA   VAL  30           HA       VAL  30  -3.034  -4.009   5.006
  197    HB   VAL  30           HB       VAL  30  -2.266  -1.781   6.199
  198   1HG1  VAL  30          HG11      VAL  30  -1.852  -4.538   7.395
  199   2HG1  VAL  30          HG13      VAL  30  -2.080  -3.051   8.316
  200   3HG1  VAL  30          HG12      VAL  30  -3.385  -3.671   7.305
  201   1HG2  VAL  30          HG23      VAL  30   0.220  -2.862   5.443
  202   2HG2  VAL  30          HG22      VAL  30  -0.049  -1.531   6.565
  203   3HG2  VAL  30          HG21      VAL  30   0.090  -3.182   7.171
  204    H    VAL  31           HN       VAL  31  -0.231  -2.138   3.791
  205    HA   VAL  31           HA       VAL  31  -1.598  -0.016   2.593
  206    HB   VAL  31           HB       VAL  31   0.857  -1.519   1.651
  207   1HG1  VAL  31          HG11      VAL  31  -0.416   1.027   0.610
  208   2HG1  VAL  31          HG13      VAL  31   1.265   0.590   0.296
  209   3HG1  VAL  31          HG12      VAL  31  -0.039  -0.436  -0.302
  210   1HG2  VAL  31          HG22      VAL  31   0.403   0.219   3.793
  211   2HG2  VAL  31          HG21      VAL  31   1.974  -0.201   3.110
  212   3HG2  VAL  31          HG23      VAL  31   1.129   1.243   2.554
  213    H    ILE  32           HN       ILE  32  -1.208  -3.337   1.371
  214    HA   ILE  32           HA       ILE  32  -2.330  -2.744  -1.213
  215    HB   ILE  32           HB       ILE  32  -1.057  -4.885  -0.252
  216   1HG1  ILE  32          HG12      ILE  32  -1.566  -4.158  -2.629
  217   2HG1  ILE  32          HG11      ILE  32  -1.431  -5.897  -2.367
  218   1HG2  ILE  32          HG21      ILE  32  -3.961  -5.671  -0.248
  219   2HG2  ILE  32          HG23      ILE  32  -2.637  -6.832  -0.303
  220   3HG2  ILE  32          HG22      ILE  32  -2.839  -5.792   1.100
  221   1HD1  ILE  32          HD12      ILE  32  -4.134  -4.772  -1.940
  222   2HD1  ILE  32          HD11      ILE  32  -3.553  -4.717  -3.605
  223   3HD1  ILE  32          HD13      ILE  32  -3.649  -6.259  -2.754
  224    H    VAL  33           HN       VAL  33  -3.822  -4.329   1.661
  225    HA   VAL  33           HA       VAL  33  -6.385  -4.583   0.600
  226    HB   VAL  33           HB       VAL  33  -5.794  -3.568   3.411
  227   1HG1  VAL  33          HG12      VAL  33  -8.190  -4.529   1.987
  228   2HG1  VAL  33          HG11      VAL  33  -7.910  -5.316   3.540
  229   3HG1  VAL  33          HG13      VAL  33  -8.067  -3.561   3.456
  230   1HG2  VAL  33          HG21      VAL  33  -5.310  -6.161   2.083
  231   2HG2  VAL  33          HG23      VAL  33  -4.607  -5.508   3.564
  232   3HG2  VAL  33          HG22      VAL  33  -6.194  -6.277   3.606
  233    H    GLY  34           HN       GLY  34  -4.653  -1.684   1.421
  234   1HA   GLY  34           HA2      GLY  34  -6.956   0.083   1.367
  235   2HA   GLY  34           HA1      GLY  34  -5.276   0.570   1.080
  236    H    ALA  35           HN       ALA  35  -4.488  -0.886  -1.012
  237    HA   ALA  35           HA       ALA  35  -5.777   0.343  -3.271
  238   1HB   ALA  35           HB1      ALA  35  -3.747  -1.902  -3.101
  239   2HB   ALA  35           HB3      ALA  35  -4.246  -1.128  -4.606
  240   3HB   ALA  35           HB2      ALA  35  -3.412  -0.191  -3.367
  241    H    THR  36           HN       THR  36  -5.645  -3.198  -2.287
  242    HA   THR  36           HA       THR  36  -7.274  -4.186  -4.327
  243    HB   THR  36           HB       THR  36  -7.283  -4.975  -1.397
  244    HG1  THR  36           HG1      THR  36  -5.763  -6.446  -2.048
  245   1HG2  THR  36          HG21      THR  36  -8.321  -6.406  -3.858
  246   2HG2  THR  36          HG23      THR  36  -8.150  -7.149  -2.267
  247   3HG2  THR  36          HG22      THR  36  -9.283  -5.819  -2.502
  248    H    ILE  37           HN       ILE  37  -8.473  -3.177  -1.114
  249    HA   ILE  37           HA       ILE  37 -11.247  -3.172  -1.942
  250    HB   ILE  37           HB       ILE  37  -9.981  -1.671   0.362
  251   1HG1  ILE  37          HG12      ILE  37 -10.998  -4.528   0.180
  252   2HG1  ILE  37          HG11      ILE  37  -9.324  -4.032   0.429
  253   1HG2  ILE  37          HG21      ILE  37 -12.508  -1.432  -0.507
  254   2HG2  ILE  37          HG23      ILE  37 -12.700  -2.902   0.448
  255   3HG2  ILE  37          HG22      ILE  37 -12.112  -1.424   1.211
  256   1HD1  ILE  37          HD13      ILE  37 -11.447  -3.060   2.316
  257   2HD1  ILE  37          HD12      ILE  37 -10.797  -4.688   2.503
  258   3HD1  ILE  37          HD11      ILE  37  -9.723  -3.292   2.606
  259    H    GLY  38           HN       GLY  38  -8.712  -0.876  -2.309
  260   1HA   GLY  38           HA2      GLY  38 -10.382   1.492  -2.494
  261   2HA   GLY  38           HA1      GLY  38  -8.689   1.383  -2.986
  262    H    ILE  39           HN       ILE  39  -8.281   0.186  -5.037
  263    HA   ILE  39           HA       ILE  39  -9.844   1.189  -7.169
  264    HB   ILE  39           HB       ILE  39  -7.910  -1.135  -6.995
  265   1HG1  ILE  39          HG12      ILE  39  -6.909   0.802  -8.692
  266   2HG1  ILE  39          HG11      ILE  39  -7.753   1.761  -7.475
  267   1HG2  ILE  39          HG21      ILE  39  -9.262   0.049  -9.440
  268   2HG2  ILE  39          HG23      ILE  39  -7.927  -1.104  -9.481
  269   3HG2  ILE  39          HG22      ILE  39  -9.488  -1.585  -8.816
  270   1HD1  ILE  39          HD12      ILE  39  -6.266  -0.409  -6.243
  271   2HD1  ILE  39          HD11      ILE  39  -5.208   0.612  -7.219
  272   3HD1  ILE  39          HD13      ILE  39  -6.175   1.324  -5.926
  273    H    LYS  40           HN       LYS  40 -10.460  -1.397  -4.971
  274    HA   LYS  40           HA       LYS  40 -12.002  -3.081  -6.758
  275   1HB   LYS  40           HB2      LYS  40 -11.349  -4.089  -4.710
  276   2HB   LYS  40           HB1      LYS  40 -11.955  -2.737  -3.754
  277   1HG   LYS  40           HG2      LYS  40 -14.209  -3.364  -4.080
  278   2HG   LYS  40           HG1      LYS  40 -13.817  -4.377  -5.468
  279   1HD   LYS  40           HD2      LYS  40 -12.412  -5.204  -3.036
  280   2HD   LYS  40           HD1      LYS  40 -14.167  -5.279  -2.871
  281   1HE   LYS  40           HE2      LYS  40 -12.728  -6.428  -5.267
  282   2HE   LYS  40           HE1      LYS  40 -13.032  -7.374  -3.810
  283   1HZ   LYS  40           HZ3      LYS  40 -15.439  -6.306  -4.256
  284   2HZ   LYS  40           HZ2      LYS  40 -14.879  -6.471  -5.851
  285   3HZ   LYS  40           HZ1      LYS  40 -14.961  -7.827  -4.831
  286    H    LEU  41           HN       LEU  41 -13.272  -0.956  -4.139
  287    HA   LEU  41           HA       LEU  41 -15.911  -0.903  -5.353
  288   1HB   LEU  41           HB2      LEU  41 -14.691  -0.008  -2.905
  289   2HB   LEU  41           HB1      LEU  41 -15.649   1.303  -3.597
  290    HG   LEU  41           HG       LEU  41 -17.428  -0.610  -3.981
  291   1HD1  LEU  41          HD13      LEU  41 -15.686  -1.672  -1.737
  292   2HD1  LEU  41          HD12      LEU  41 -17.325  -2.237  -2.062
  293   3HD1  LEU  41          HD11      LEU  41 -16.056  -2.474  -3.264
  294   1HD2  LEU  41          HD22      LEU  41 -17.130   1.433  -2.175
  295   2HD2  LEU  41          HD21      LEU  41 -18.555   0.398  -2.277
  296   3HD2  LEU  41          HD23      LEU  41 -17.287   0.041  -1.103
  297    H    PHE  42           HN       PHE  42 -13.131   1.260  -5.479
  298    HA   PHE  42           HA       PHE  42 -14.517   3.471  -6.697
  299   1HB   PHE  42           HB2      PHE  42 -11.732   2.731  -6.103
  300   2HB   PHE  42           HB1      PHE  42 -11.914   3.698  -7.567
  301    HD1  PHE  42           HD2      PHE  42 -13.604   3.612  -4.212
  302    HD2  PHE  42           HD1      PHE  42 -11.593   5.971  -7.188
  303    HE1  PHE  42           HE2      PHE  42 -13.941   5.643  -2.830
  304    HE2  PHE  42           HE1      PHE  42 -11.931   8.003  -5.805
  305    HZ   PHE  42           HZ       PHE  42 -13.105   7.837  -3.626
  306    H    LYS  43           HN       LYS  43 -12.728   0.691  -8.005
  307    HA   LYS  43           HA       LYS  43 -13.100   1.571 -10.766
  308   1HB   LYS  43           HB2      LYS  43 -11.173   0.150 -10.063
  309   2HB   LYS  43           HB1      LYS  43 -12.304  -1.160  -9.720
  310   1HG   LYS  43           HG2      LYS  43 -12.897  -0.183 -12.329
  311   2HG   LYS  43           HG1      LYS  43 -11.153  -0.435 -12.238
  312   1HD   LYS  43           HD2      LYS  43 -12.206  -2.661 -10.939
  313   2HD   LYS  43           HD1      LYS  43 -13.306  -2.408 -12.296
  314   1HE   LYS  43           HE2      LYS  43 -10.442  -2.118 -12.958
  315   2HE   LYS  43           HE1      LYS  43 -10.929  -3.746 -12.484
  316   1HZ   LYS  43           HZ2      LYS  43 -12.892  -2.706 -14.181
  317   2HZ   LYS  43           HZ1      LYS  43 -11.384  -2.442 -14.918
  318   3HZ   LYS  43           HZ3      LYS  43 -11.840  -4.011 -14.466
  319    H    LYS  44           HN       LYS  44 -14.995  -0.152  -8.453
  320    HA   LYS  44           HA       LYS  44 -16.574  -1.619 -10.433
  321   1HB   LYS  44           HB2      LYS  44 -16.253  -1.662  -7.611
  322   2HB   LYS  44           HB1      LYS  44 -17.943  -1.293  -7.930
  323   1HG   LYS  44           HG2      LYS  44 -17.635  -3.719  -7.830
  324   2HG   LYS  44           HG1      LYS  44 -18.063  -3.234  -9.473
  325   1HD   LYS  44           HD2      LYS  44 -15.980  -3.718 -10.309
  326   2HD   LYS  44           HD1      LYS  44 -15.163  -3.296  -8.804
  327   1HE   LYS  44           HE2      LYS  44 -15.250  -5.422  -8.043
  328   2HE   LYS  44           HE1      LYS  44 -16.942  -5.600  -8.508
  329   1HZ   LYS  44           HZ1      LYS  44 -15.226  -5.468 -10.779
  330   2HZ   LYS  44           HZ3      LYS  44 -14.785  -6.740  -9.749
  331   3HZ   LYS  44           HZ2      LYS  44 -16.369  -6.653 -10.358
  332    H    PHE  45           HN       PHE  45 -17.196   1.153  -8.263
  333    HA   PHE  45           HA       PHE  45 -18.870   2.382 -10.350
  334   1HB   PHE  45           HB2      PHE  45 -20.738   2.744  -8.610
  335   2HB   PHE  45           HB1      PHE  45 -20.621   1.143  -9.337
  336    HD1  PHE  45           HD1      PHE  45 -20.074   3.130  -6.282
  337    HD2  PHE  45           HD2      PHE  45 -19.795  -0.763  -8.066
  338    HE1  PHE  45           HE1      PHE  45 -19.800   2.117  -4.034
  339    HE2  PHE  45           HE2      PHE  45 -19.519  -1.776  -5.819
  340    HZ   PHE  45           HZ       PHE  45 -19.522  -0.334  -3.802
  341    H    THR  46           HN       THR  46 -16.390   2.841  -8.626
  342    HA   THR  46           HA       THR  46 -15.318   4.759  -7.801
  343    HB   THR  46           HB       THR  46 -17.922   6.203  -8.344
  344    HG1  THR  46           HG1      THR  46 -17.460   5.531 -10.305
  345   1HG2  THR  46          HG22      THR  46 -15.247   6.958  -7.454
  346   2HG2  THR  46          HG21      THR  46 -15.753   7.847  -8.891
  347   3HG2  THR  46          HG23      THR  46 -16.741   7.895  -7.431
  348    H    SER  47           HN       SER  47 -17.605   3.055  -6.397
  349    HA   SER  47           HA       SER  47 -18.069   2.820  -4.087
  350   1HB   SER  47           HB2      SER  47 -15.933   4.297  -3.839
  351   2HB   SER  47           HB1      SER  47 -17.072   5.614  -3.575
  352    HG   SER  47           HG       SER  47 -16.861   4.821  -1.589
  353    H    LYS  48           HN       LYS  48 -18.735   6.020  -5.556
  354    HA   LYS  48           HA       LYS  48 -21.499   5.790  -4.452
  355   1HB   LYS  48           HB2      LYS  48 -19.621   8.144  -4.361
  356   2HB   LYS  48           HB1      LYS  48 -21.369   8.377  -4.309
  357   1HG   LYS  48           HG2      LYS  48 -21.591   7.298  -2.257
  358   2HG   LYS  48           HG1      LYS  48 -20.098   6.381  -2.465
  359   1HD   LYS  48           HD2      LYS  48 -18.760   8.385  -2.130
  360   2HD   LYS  48           HD1      LYS  48 -20.214   9.382  -2.064
  361   1HE   LYS  48           HE2      LYS  48 -20.752   8.705   0.061
  362   2HE   LYS  48           HE1      LYS  48 -20.086   7.088  -0.174
  363   1HZ   LYS  48           HZ2      LYS  48 -18.351   9.480  -0.040
  364   2HZ   LYS  48           HZ1      LYS  48 -18.834   8.651   1.362
  365   3HZ   LYS  48           HZ3      LYS  48 -17.924   7.849   0.177
  366    H    ALA  49           HN       ALA  49 -19.622   6.070  -7.217
  367    HA   ALA  49           HA       ALA  49 -21.407   7.852  -8.706
  368   1HB   ALA  49           HB2      ALA  49 -19.207   6.008  -9.687
  369   2HB   ALA  49           HB1      ALA  49 -20.024   7.230 -10.656
  370   3HB   ALA  49           HB3      ALA  49 -19.017   7.713  -9.293
  371    H    SER  50           HN       SER  50 -20.443   4.630  -9.856
  372    HA   SER  50           HA       SER  50 -22.888   3.271  -9.514
  373   1HB   SER  50           HB2      SER  50 -23.024   5.354 -11.506
  374   2HB   SER  50           HB1      SER  50 -23.240   3.783 -12.271
  375    HG   SER  50           HG       SER  50 -24.774   5.077 -10.318
   
  No H/Q in entry =         375
  Start of MODEL   14
    1   1H    ALA   1           HT1      ALA   1  -1.348 -15.542   3.843
    2   2H    ALA   1           HT3      ALA   1  -1.775 -16.007   2.269
    3   3H    ALA   1           HT2      ALA   1  -0.154 -16.101   2.771
    4    HA   ALA   1           HA       ALA   1   0.197 -13.864   2.617
    5   1HB   ALA   1           HB1      ALA   1  -0.357 -14.810   0.381
    6   2HB   ALA   1           HB3      ALA   1  -2.040 -14.348   0.627
    7   3HB   ALA   1           HB2      ALA   1  -0.792 -13.107   0.511
    8    H    GLU   2           HN       GLU   2  -0.650 -11.644   2.727
    9    HA   GLU   2           HA       GLU   2  -1.975 -10.007   3.760
   10   1HB   GLU   2           HB2      GLU   2  -3.875 -11.896   2.479
   11   2HB   GLU   2           HB1      GLU   2  -4.557 -10.828   3.708
   12   1HG   GLU   2           HG2      GLU   2  -4.746  -9.443   1.869
   13   2HG   GLU   2           HG1      GLU   2  -3.119  -9.004   2.394
   14    H    GLY   3           HN       GLY   3  -4.168 -10.138   5.421
   15   1HA   GLY   3           HA2      GLY   3  -4.899 -11.676   7.329
   16   2HA   GLY   3           HA1      GLY   3  -3.174 -11.897   7.627
   17    H    ASP   4           HN       ASP   4  -3.488  -8.776   6.614
   18    HA   ASP   4           HA       ASP   4  -3.132  -7.738   9.320
   19   1HB   ASP   4           HB2      ASP   4  -2.422  -6.905   6.731
   20   2HB   ASP   4           HB1      ASP   4  -3.579  -5.700   7.301
   21    H    ASP   5           HN       ASP   5  -4.466  -5.714   9.950
   22    HA   ASP   5           HA       ASP   5  -7.116  -6.341  10.455
   23   1HB   ASP   5           HB2      ASP   5  -5.676  -3.730  10.150
   24   2HB   ASP   5           HB1      ASP   5  -7.431  -3.710  10.317
   25    HA   PRO   6           HA       PRO   6  -9.322  -5.916   6.698
   26   1HB   PRO   6           HB2      PRO   6 -11.733  -4.950   7.606
   27   2HB   PRO   6           HB1      PRO   6 -11.205  -6.629   7.822
   28   1HG   PRO   6           HG2      PRO   6 -11.324  -4.427   9.843
   29   2HG   PRO   6           HG1      PRO   6 -11.412  -6.180  10.089
   30   1HD   PRO   6           HD2      PRO   6  -9.124  -4.558  10.532
   31   2HD   PRO   6           HD1      PRO   6  -9.149  -6.333  10.460
   32    H    ALA   7           HN       ALA   7  -8.362  -3.224   8.455
   33    HA   ALA   7           HA       ALA   7  -9.781  -1.108   7.147
   34   1HB   ALA   7           HB1      ALA   7  -7.745  -1.327   9.094
   35   2HB   ALA   7           HB3      ALA   7  -7.068  -0.349   7.792
   36   3HB   ALA   7           HB2      ALA   7  -8.569   0.143   8.575
   37    H    LYS   8           HN       LYS   8  -6.349  -2.001   6.616
   38    HA   LYS   8           HA       LYS   8  -6.133  -0.661   4.120
   39   1HB   LYS   8           HB2      LYS   8  -4.232  -1.566   5.553
   40   2HB   LYS   8           HB1      LYS   8  -4.599  -3.158   4.885
   41   1HG   LYS   8           HG2      LYS   8  -4.475  -1.828   2.580
   42   2HG   LYS   8           HG1      LYS   8  -3.448  -0.754   3.530
   43   1HD   LYS   8           HD2      LYS   8  -1.760  -2.193   3.107
   44   2HD   LYS   8           HD1      LYS   8  -2.559  -3.301   4.223
   45   1HE   LYS   8           HE2      LYS   8  -3.473  -3.178   1.366
   46   2HE   LYS   8           HE1      LYS   8  -2.020  -4.092   1.772
   47   1HZ   LYS   8           HZ1      LYS   8  -3.966  -4.720   3.661
   48   2HZ   LYS   8           HZ3      LYS   8  -4.707  -4.823   2.140
   49   3HZ   LYS   8           HZ2      LYS   8  -3.309  -5.731   2.464
   50    H    ALA   9           HN       ALA   9  -7.075  -4.002   4.884
   51    HA   ALA   9           HA       ALA   9  -7.118  -5.158   2.350
   52   1HB   ALA   9           HB2      ALA   9  -8.637  -5.518   4.849
   53   2HB   ALA   9           HB1      ALA   9  -9.492  -6.062   3.405
   54   3HB   ALA   9           HB3      ALA   9  -7.906  -6.727   3.794
   55    H    ALA  10           HN       ALA  10 -10.272  -4.174   3.626
   56    HA   ALA  10           HA       ALA  10 -11.494  -3.735   1.153
   57   1HB   ALA  10           HB1      ALA  10 -12.412  -3.589   3.647
   58   2HB   ALA  10           HB3      ALA  10 -12.169  -1.862   3.387
   59   3HB   ALA  10           HB2      ALA  10 -13.244  -2.770   2.324
   60    H    PHE  11           HN       PHE  11  -9.303  -1.622   2.918
   61    HA   PHE  11           HA       PHE  11  -9.785   0.832   1.703
   62   1HB   PHE  11           HB2      PHE  11  -7.717  -0.227   3.217
   63   2HB   PHE  11           HB1      PHE  11  -6.932   0.195   1.691
   64    HD1  PHE  11           HD2      PHE  11  -9.351   1.567   4.198
   65    HD2  PHE  11           HD1      PHE  11  -6.312   2.412   1.286
   66    HE1  PHE  11           HE2      PHE  11  -9.438   3.967   4.809
   67    HE2  PHE  11           HE1      PHE  11  -6.398   4.813   1.892
   68    HZ   PHE  11           HZ       PHE  11  -7.959   5.593   3.657
   69    H    ASP  12           HN       ASP  12  -7.633  -1.720   0.413
   70    HA   ASP  12           HA       ASP  12  -7.283  -0.418  -2.127
   71   1HB   ASP  12           HB2      ASP  12  -6.789  -3.174  -1.052
   72   2HB   ASP  12           HB1      ASP  12  -6.753  -2.930  -2.799
   73    H    SER  13           HN       SER  13  -9.706  -2.624  -0.835
   74    HA   SER  13           HA       SER  13 -10.896  -3.245  -3.420
   75   1HB   SER  13           HB2      SER  13 -11.198  -4.706  -1.447
   76   2HB   SER  13           HB1      SER  13 -12.090  -3.425  -0.635
   77    HG   SER  13           HG       SER  13 -12.956  -5.227  -2.422
   78    H    LEU  14           HN       LEU  14 -12.624  -1.636  -0.748
   79    HA   LEU  14           HA       LEU  14 -14.586  -0.333  -2.129
   80   1HB   LEU  14           HB2      LEU  14 -14.538   1.452  -0.412
   81   2HB   LEU  14           HB1      LEU  14 -14.334  -0.142   0.312
   82    HG   LEU  14           HG       LEU  14 -11.739   0.521  -0.209
   83   1HD1  LEU  14          HD11      LEU  14 -13.338   3.036   0.160
   84   2HD1  LEU  14          HD13      LEU  14 -11.717   2.938   0.848
   85   3HD1  LEU  14          HD12      LEU  14 -11.952   2.742  -0.889
   86   1HD2  LEU  14          HD23      LEU  14 -12.790  -0.326   1.917
   87   2HD2  LEU  14          HD22      LEU  14 -11.568   0.915   2.185
   88   3HD2  LEU  14          HD21      LEU  14 -13.277   1.330   2.279
   89    H    GLN  15           HN       GLN  15 -11.185   0.697  -2.026
   90    HA   GLN  15           HA       GLN  15 -11.599   3.225  -3.313
   91   1HB   GLN  15           HB2      GLN  15  -9.330   1.561  -2.581
   92   2HB   GLN  15           HB1      GLN  15  -9.091   2.330  -4.147
   93   1HG   GLN  15           HG2      GLN  15  -9.967   3.805  -1.647
   94   2HG   GLN  15           HG1      GLN  15  -8.303   3.738  -2.226
   95   1HE2  GLN  15          HE22      GLN  15  -9.044   6.671  -4.072
   96   2HE2  GLN  15          HE21      GLN  15  -8.127   5.982  -2.820
   97    H    ALA  16           HN       ALA  16 -10.276   0.211  -4.726
   98    HA   ALA  16           HA       ALA  16 -10.497   0.998  -7.402
   99   1HB   ALA  16           HB3      ALA  16 -10.314  -1.596  -6.002
  100   2HB   ALA  16           HB2      ALA  16 -10.880  -1.644  -7.672
  101   3HB   ALA  16           HB1      ALA  16  -9.302  -0.951  -7.295
  102    H    SER  17           HN       SER  17 -12.941   0.289  -5.258
  103    HA   SER  17           HA       SER  17 -14.929  -0.492  -7.249
  104   1HB   SER  17           HB2      SER  17 -14.751  -0.783  -4.512
  105   2HB   SER  17           HB1      SER  17 -15.931   0.515  -4.673
  106    HG   SER  17           HG       SER  17 -17.254  -1.070  -5.087
  107    H    ALA  18           HN       ALA  18 -13.542   2.140  -7.624
  108    HA   ALA  18           HA       ALA  18 -14.075   4.378  -8.081
  109   1HB   ALA  18           HB3      ALA  18 -15.887   2.746  -9.351
  110   2HB   ALA  18           HB2      ALA  18 -16.943   3.822  -8.435
  111   3HB   ALA  18           HB1      ALA  18 -15.778   4.491  -9.577
  112    H    THR  19           HN       THR  19 -13.783   4.401  -5.557
  113    HA   THR  19           HA       THR  19 -16.354   5.374  -4.349
  114    HB   THR  19           HB       THR  19 -15.226   3.317  -3.322
  115    HG1  THR  19           HG1      THR  19 -16.129   3.948  -1.537
  116   1HG2  THR  19          HG21      THR  19 -12.930   4.690  -3.580
  117   2HG2  THR  19          HG23      THR  19 -13.358   5.179  -1.940
  118   3HG2  THR  19          HG22      THR  19 -13.162   3.470  -2.326
  119    H    GLU  20           HN       GLU  20 -14.355   6.888  -5.962
  120    HA   GLU  20           HA       GLU  20 -14.247   9.244  -4.423
  121   1HB   GLU  20           HB2      GLU  20 -12.505   7.715  -3.275
  122   2HB   GLU  20           HB1      GLU  20 -11.523   8.077  -4.695
  123   1HG   GLU  20           HG2      GLU  20 -10.860   9.852  -3.421
  124   2HG   GLU  20           HG1      GLU  20 -12.337  10.570  -4.064
  125    H    TYR  21           HN       TYR  21 -12.252   7.549  -6.626
  126    HA   TYR  21           HA       TYR  21 -12.949   8.891  -8.983
  127   1HB   TYR  21           HB2      TYR  21 -11.137  10.536  -9.257
  128   2HB   TYR  21           HB1      TYR  21 -12.116  10.942  -7.853
  129    HD1  TYR  21           HD2      TYR  21  -8.872   9.644  -9.006
  130    HD2  TYR  21           HD1      TYR  21 -11.263  10.649  -5.586
  131    HE1  TYR  21           HE2      TYR  21  -6.861   9.524  -7.565
  132    HE2  TYR  21           HE1      TYR  21  -9.252  10.531  -4.143
  133    HH   TYR  21           HH       TYR  21  -6.963   9.297  -4.280
  134    H    ILE  22           HN       ILE  22 -10.064   7.773  -7.171
  135    HA   ILE  22           HA       ILE  22  -8.940   6.686  -9.619
  136    HB   ILE  22           HB       ILE  22  -7.244   7.422  -8.149
  137   1HG1  ILE  22          HG12      ILE  22  -7.247   4.590  -7.188
  138   2HG1  ILE  22          HG11      ILE  22  -7.152   4.875  -8.896
  139   1HG2  ILE  22          HG23      ILE  22  -8.922   6.064  -6.095
  140   2HG2  ILE  22          HG22      ILE  22  -7.247   6.508  -5.779
  141   3HG2  ILE  22          HG21      ILE  22  -8.429   7.746  -6.179
  142   1HD1  ILE  22          HD13      ILE  22  -5.328   6.670  -8.150
  143   2HD1  ILE  22          HD12      ILE  22  -5.178   5.548  -6.800
  144   3HD1  ILE  22          HD11      ILE  22  -4.907   4.986  -8.448
  145    H    GLY  23           HN       GLY  23 -11.403   5.682  -7.752
  146   1HA   GLY  23           HA2      GLY  23 -10.842   2.929  -7.338
  147   2HA   GLY  23           HA1      GLY  23 -12.452   3.580  -7.662
  148    H    TYR  24           HN       TYR  24 -11.185   4.799 -10.204
  149    HA   TYR  24           HA       TYR  24 -12.130   3.120 -12.130
  150   1HB   TYR  24           HB2      TYR  24 -11.345   4.732 -13.546
  151   2HB   TYR  24           HB1      TYR  24 -10.813   5.544 -12.113
  152    HD1  TYR  24           HD1      TYR  24  -9.330   2.548 -13.749
  153    HD2  TYR  24           HD2      TYR  24  -8.924   6.682 -12.808
  154    HE1  TYR  24           HE1      TYR  24  -7.085   2.473 -14.479
  155    HE2  TYR  24           HE2      TYR  24  -6.578   6.624 -13.587
  156    HH   TYR  24           HH       TYR  24  -5.277   5.048 -15.320
  157    H    ALA  25           HN       ALA  25  -9.221   2.543 -10.226
  158    HA   ALA  25           HA       ALA  25  -8.810  -0.039 -10.139
  159   1HB   ALA  25           HB1      ALA  25  -8.644   0.474 -13.113
  160   2HB   ALA  25           HB3      ALA  25  -7.956  -0.964 -12.360
  161   3HB   ALA  25           HB2      ALA  25  -9.690  -0.663 -12.261
  162    H    TRP  26           HN       TRP  26  -7.293   2.134  -9.350
  163    HA   TRP  26           HA       TRP  26  -4.573   1.203  -9.953
  164   1HB   TRP  26           HB2      TRP  26  -3.897   3.631 -10.359
  165   2HB   TRP  26           HB1      TRP  26  -4.678   2.782 -11.677
  166    HD1  TRP  26           HD1      TRP  26  -7.632   3.082 -10.966
  167    HE1  TRP  26           HE1      TRP  26  -8.848   5.284 -10.975
  168    HE3  TRP  26           HE3      TRP  26  -3.709   6.158 -10.359
  169    HZ2  TRP  26           HZ2      TRP  26  -8.260   8.022 -10.851
  170    HZ3  TRP  26           HZ3      TRP  26  -4.030   8.617 -10.320
  171    HH2  TRP  26           HH2      TRP  26  -6.318   9.559 -10.549
  172    H    ALA  27           HN       ALA  27  -6.602   1.803  -7.720
  173    HA   ALA  27           HA       ALA  27  -5.335   3.807  -6.175
  174   1HB   ALA  27           HB1      ALA  27  -7.522   1.848  -5.768
  175   2HB   ALA  27           HB3      ALA  27  -6.688   2.376  -4.306
  176   3HB   ALA  27           HB2      ALA  27  -7.460   3.563  -5.358
  177    H    MET  28           HN       MET  28  -5.237   0.278  -6.211
  178    HA   MET  28           HA       MET  28  -3.608  -0.164  -4.018
  179   1HB   MET  28           HB2      MET  28  -4.622  -1.684  -6.211
  180   2HB   MET  28           HB1      MET  28  -2.912  -2.061  -5.997
  181   1HG   MET  28           HG2      MET  28  -3.612  -2.138  -3.429
  182   2HG   MET  28           HG1      MET  28  -5.197  -2.492  -4.118
  183   1HE   MET  28           HE3      MET  28  -3.037  -3.898  -2.295
  184   2HE   MET  28           HE2      MET  28  -4.402  -4.997  -2.465
  185   3HE   MET  28           HE1      MET  28  -2.771  -5.574  -2.799
  186    H    VAL  29           HN       VAL  29  -2.804   0.995  -7.202
  187    HA   VAL  29           HA       VAL  29  -0.062   0.350  -7.332
  188    HB   VAL  29           HB       VAL  29  -1.548   2.809  -8.287
  189   1HG1  VAL  29          HG12      VAL  29   1.326   1.949  -8.655
  190   2HG1  VAL  29          HG11      VAL  29   0.517   3.007  -9.810
  191   3HG1  VAL  29          HG13      VAL  29   0.715   3.520  -8.135
  192   1HG2  VAL  29          HG21      VAL  29  -1.233   0.084  -9.214
  193   2HG2  VAL  29          HG23      VAL  29  -2.241   1.369  -9.879
  194   3HG2  VAL  29          HG22      VAL  29  -0.562   1.210 -10.394
  195    H    VAL  30           HN       VAL  30  -1.629   3.133  -5.744
  196    HA   VAL  30           HA       VAL  30   0.891   4.221  -4.796
  197    HB   VAL  30           HB       VAL  30  -1.896   4.766  -3.737
  198   1HG1  VAL  30          HG13      VAL  30   0.770   5.791  -3.179
  199   2HG1  VAL  30          HG12      VAL  30  -0.309   7.072  -3.729
  200   3HG1  VAL  30          HG11      VAL  30  -0.743   6.096  -2.326
  201   1HG2  VAL  30          HG23      VAL  30  -1.568   5.018  -6.272
  202   2HG2  VAL  30          HG22      VAL  30  -2.122   6.454  -5.412
  203   3HG2  VAL  30          HG21      VAL  30  -0.430   6.310  -5.889
  204    H    VAL  31           HN       VAL  31  -1.741   2.329  -3.281
  205    HA   VAL  31           HA       VAL  31  -0.797   2.260  -0.638
  206    HB   VAL  31           HB       VAL  31  -2.117   0.108  -2.309
  207   1HG1  VAL  31          HG13      VAL  31  -1.228   0.081   0.571
  208   2HG1  VAL  31          HG12      VAL  31  -2.639  -0.844   0.057
  209   3HG1  VAL  31          HG11      VAL  31  -1.059  -1.183  -0.648
  210   1HG2  VAL  31          HG22      VAL  31  -2.976   2.420  -0.756
  211   2HG2  VAL  31          HG21      VAL  31  -3.904   1.423  -1.876
  212   3HG2  VAL  31          HG23      VAL  31  -3.745   0.938  -0.188
  213    H    ILE  32           HN       ILE  32   0.083  -0.073  -3.212
  214    HA   ILE  32           HA       ILE  32   2.018  -1.459  -1.696
  215    HB   ILE  32           HB       ILE  32   1.215  -2.344  -3.727
  216   1HG1  ILE  32          HG12      ILE  32   3.328  -2.963  -4.826
  217   2HG1  ILE  32          HG11      ILE  32   4.121  -1.624  -3.994
  218   1HG2  ILE  32          HG22      ILE  32   1.151   0.098  -4.743
  219   2HG2  ILE  32          HG21      ILE  32   2.702  -0.412  -5.407
  220   3HG2  ILE  32          HG23      ILE  32   1.239  -1.319  -5.787
  221   1HD1  ILE  32          HD12      ILE  32   2.675  -3.847  -2.533
  222   2HD1  ILE  32          HD11      ILE  32   4.403  -3.890  -2.883
  223   3HD1  ILE  32          HD13      ILE  32   3.745  -2.627  -1.844
  224    H    VAL  33           HN       VAL  33   2.508   1.212  -4.051
  225    HA   VAL  33           HA       VAL  33   5.275   1.403  -3.819
  226    HB   VAL  33           HB       VAL  33   3.239   3.664  -3.907
  227   1HG1  VAL  33          HG12      VAL  33   5.818   4.016  -3.152
  228   2HG1  VAL  33          HG11      VAL  33   6.008   4.067  -4.903
  229   3HG1  VAL  33          HG13      VAL  33   4.924   5.203  -4.100
  230   1HG2  VAL  33          HG22      VAL  33   3.399   1.931  -5.802
  231   2HG2  VAL  33          HG21      VAL  33   3.565   3.624  -6.266
  232   3HG2  VAL  33          HG23      VAL  33   4.997   2.604  -6.128
  233    H    GLY  34           HN       GLY  34   2.847   2.028  -1.425
  234   1HA   GLY  34           HA2      GLY  34   4.568   3.511   0.390
  235   2HA   GLY  34           HA1      GLY  34   3.092   2.642   0.843
  236    H    ALA  35           HN       ALA  35   3.527   0.118   0.125
  237    HA   ALA  35           HA       ALA  35   5.311  -0.897   2.132
  238   1HB   ALA  35           HB2      ALA  35   3.575  -2.023   0.016
  239   2HB   ALA  35           HB1      ALA  35   4.924  -3.044   0.515
  240   3HB   ALA  35           HB3      ALA  35   3.746  -2.496   1.707
  241    H    THR  36           HN       THR  36   5.694  -0.848  -1.509
  242    HA   THR  36           HA       THR  36   8.244  -2.128  -1.487
  243    HB   THR  36           HB       THR  36   7.166  -0.079  -3.445
  244    HG1  THR  36           HG1      THR  36   6.145  -2.308  -2.894
  245   1HG2  THR  36          HG22      THR  36   9.503  -1.976  -3.484
  246   2HG2  THR  36          HG21      THR  36   8.741  -1.442  -4.982
  247   3HG2  THR  36          HG23      THR  36   9.468  -0.261  -3.894
  248    H    ILE  37           HN       ILE  37   7.685   1.351  -2.086
  249    HA   ILE  37           HA       ILE  37  10.397   2.116  -1.591
  250    HB   ILE  37           HB       ILE  37   7.795   3.638  -1.500
  251   1HG1  ILE  37          HG12      ILE  37   8.940   4.639  -3.608
  252   2HG1  ILE  37          HG11      ILE  37  10.025   3.253  -3.505
  253   1HG2  ILE  37          HG23      ILE  37  10.519   4.437  -0.689
  254   2HG2  ILE  37          HG22      ILE  37   9.769   5.523  -1.860
  255   3HG2  ILE  37          HG21      ILE  37   8.970   5.196  -0.322
  256   1HD1  ILE  37          HD11      ILE  37   7.119   2.666  -3.300
  257   2HD1  ILE  37          HD13      ILE  37   7.705   3.183  -4.879
  258   3HD1  ILE  37          HD12      ILE  37   8.396   1.758  -4.105
  259    H    GLY  38           HN       GLY  38   7.899   1.246   0.538
  260   1HA   GLY  38           HA2      GLY  38   8.752   2.808   2.834
  261   2HA   GLY  38           HA1      GLY  38   7.631   1.446   2.876
  262    H    ILE  39           HN       ILE  39   8.679  -0.738   2.524
  263    HA   ILE  39           HA       ILE  39  10.798  -1.119   4.404
  264    HB   ILE  39           HB       ILE  39   9.083  -2.856   3.682
  265   1HG1  ILE  39          HG12      ILE  39  11.793  -4.038   3.238
  266   2HG1  ILE  39          HG11      ILE  39  11.514  -3.188   4.758
  267   1HG2  ILE  39          HG22      ILE  39   9.811  -2.248   1.166
  268   2HG2  ILE  39          HG21      ILE  39  10.908  -3.600   1.447
  269   3HG2  ILE  39          HG23      ILE  39   9.167  -3.831   1.601
  270   1HD1  ILE  39          HD12      ILE  39   9.354  -4.593   4.932
  271   2HD1  ILE  39          HD11      ILE  39  10.066  -5.602   3.673
  272   3HD1  ILE  39          HD13      ILE  39  10.883  -5.421   5.225
  273    H    LYS  40           HN       LYS  40  10.784   0.012   1.184
  274    HA   LYS  40           HA       LYS  40  13.336  -1.109   0.343
  275   1HB   LYS  40           HB2      LYS  40  11.886  -0.304  -1.380
  276   2HB   LYS  40           HB1      LYS  40  11.700   1.260  -0.588
  277   1HG   LYS  40           HG2      LYS  40  14.502   0.620  -1.102
  278   2HG   LYS  40           HG1      LYS  40  13.545   0.652  -2.583
  279   1HD   LYS  40           HD2      LYS  40  12.706   2.885  -2.036
  280   2HD   LYS  40           HD1      LYS  40  13.573   2.856  -0.500
  281   1HE   LYS  40           HE2      LYS  40  15.347   2.242  -2.723
  282   2HE   LYS  40           HE1      LYS  40  14.560   3.805  -2.943
  283   1HZ   LYS  40           HZ3      LYS  40  15.833   3.019  -0.390
  284   2HZ   LYS  40           HZ2      LYS  40  16.697   3.795  -1.631
  285   3HZ   LYS  40           HZ1      LYS  40  15.374   4.570  -0.897
  286    H    LEU  41           HN       LEU  41  12.473   2.232   1.336
  287    HA   LEU  41           HA       LEU  41  15.256   2.969   1.707
  288   1HB   LEU  41           HB2      LEU  41  12.912   4.369   1.385
  289   2HB   LEU  41           HB1      LEU  41  13.233   4.592   3.105
  290    HG   LEU  41           HG       LEU  41  15.427   4.976   1.080
  291   1HD1  LEU  41          HD13      LEU  41  13.100   6.748   1.673
  292   2HD1  LEU  41          HD12      LEU  41  14.684   7.512   1.536
  293   3HD1  LEU  41          HD11      LEU  41  14.034   6.581   0.186
  294   1HD2  LEU  41          HD23      LEU  41  15.136   5.170   3.921
  295   2HD2  LEU  41          HD22      LEU  41  16.574   5.486   2.951
  296   3HD2  LEU  41          HD21      LEU  41  15.436   6.790   3.292
  297    H    PHE  42           HN       PHE  42  12.763   1.625   3.755
  298    HA   PHE  42           HA       PHE  42  14.036   2.308   6.271
  299   1HB   PHE  42           HB2      PHE  42  11.677   0.828   5.380
  300   2HB   PHE  42           HB1      PHE  42  12.481   0.051   6.745
  301    HD1  PHE  42           HD2      PHE  42  12.882   1.325   8.855
  302    HD2  PHE  42           HD1      PHE  42  10.545   2.934   5.628
  303    HE1  PHE  42           HE2      PHE  42  11.937   3.031  10.390
  304    HE2  PHE  42           HE1      PHE  42   9.601   4.640   7.161
  305    HZ   PHE  42           HZ       PHE  42  10.296   4.688   9.542
  306    H    LYS  43           HN       LYS  43  13.752  -0.789   4.494
  307    HA   LYS  43           HA       LYS  43  15.613  -2.174   6.187
  308   1HB   LYS  43           HB2      LYS  43  13.873  -2.992   4.300
  309   2HB   LYS  43           HB1      LYS  43  15.356  -3.013   3.344
  310   1HG   LYS  43           HG2      LYS  43  16.318  -4.684   4.611
  311   2HG   LYS  43           HG1      LYS  43  15.455  -4.212   6.076
  312   1HD   LYS  43           HD2      LYS  43  14.561  -6.333   5.276
  313   2HD   LYS  43           HD1      LYS  43  13.344  -5.075   5.062
  314   1HE   LYS  43           HE2      LYS  43  13.671  -4.971   2.739
  315   2HE   LYS  43           HE1      LYS  43  15.262  -5.728   2.836
  316   1HZ   LYS  43           HZ3      LYS  43  14.191  -7.790   3.515
  317   2HZ   LYS  43           HZ2      LYS  43  12.663  -7.058   3.385
  318   3HZ   LYS  43           HZ1      LYS  43  13.624  -7.279   2.001
  319    H    LYS  44           HN       LYS  44  16.028  -0.009   3.490
  320    HA   LYS  44           HA       LYS  44  18.693  -0.834   2.751
  321   1HB   LYS  44           HB2      LYS  44  17.209   0.606   1.335
  322   2HB   LYS  44           HB1      LYS  44  17.437   1.915   2.496
  323   1HG   LYS  44           HG2      LYS  44  19.896   1.781   2.118
  324   2HG   LYS  44           HG1      LYS  44  19.615   0.548   0.888
  325   1HD   LYS  44           HD2      LYS  44  17.926   2.880   0.459
  326   2HD   LYS  44           HD1      LYS  44  19.635   3.316   0.482
  327   1HE   LYS  44           HE2      LYS  44  19.911   1.214  -1.065
  328   2HE   LYS  44           HE1      LYS  44  18.189   1.440  -1.365
  329   1HZ   LYS  44           HZ1      LYS  44  19.585   3.909  -1.495
  330   2HZ   LYS  44           HZ3      LYS  44  20.263   2.786  -2.567
  331   3HZ   LYS  44           HZ2      LYS  44  18.610   3.163  -2.669
  332    H    PHE  45           HN       PHE  45  17.400   0.892   5.416
  333    HA   PHE  45           HA       PHE  45  19.469   2.651   6.133
  334   1HB   PHE  45           HB2      PHE  45  17.159   1.754   7.337
  335   2HB   PHE  45           HB1      PHE  45  18.411   1.109   8.400
  336    HD1  PHE  45           HD1      PHE  45  17.043   4.201   6.881
  337    HD2  PHE  45           HD2      PHE  45  19.789   2.550   9.743
  338    HE1  PHE  45           HE1      PHE  45  17.388   6.458   7.852
  339    HE2  PHE  45           HE2      PHE  45  20.134   4.805  10.714
  340    HZ   PHE  45           HZ       PHE  45  18.934   6.760   9.769
  341    H    THR  46           HN       THR  46  19.433  -0.847   6.241
  342    HA   THR  46           HA       THR  46  22.099  -1.298   6.255
  343    HB   THR  46           HB       THR  46  22.560  -0.094   8.243
  344    HG1  THR  46           HG1      THR  46  23.340  -2.296   8.222
  345   1HG2  THR  46          HG21      THR  46  19.855  -0.946   8.906
  346   2HG2  THR  46          HG23      THR  46  20.957  -1.142  10.269
  347   3HG2  THR  46          HG22      THR  46  20.769   0.437   9.507
  348    H    SER  47           HN       SER  47  19.818  -2.624   5.397
  349    HA   SER  47           HA       SER  47  18.684  -4.696   5.476
  350   1HB   SER  47           HB2      SER  47  21.275  -5.074   4.963
  351   2HB   SER  47           HB1      SER  47  21.207  -5.926   6.502
  352    HG   SER  47           HG       SER  47  20.644  -7.027   4.347
  353    H    LYS  48           HN       LYS  48  18.684  -3.133   8.026
  354    HA   LYS  48           HA       LYS  48  18.014  -5.420   9.806
  355   1HB   LYS  48           HB2      LYS  48  19.962  -3.200  10.377
  356   2HB   LYS  48           HB1      LYS  48  19.031  -3.910  11.697
  357   1HG   LYS  48           HG2      LYS  48  20.193  -5.915   9.897
  358   2HG   LYS  48           HG1      LYS  48  21.404  -4.920  10.708
  359   1HD   LYS  48           HD2      LYS  48  20.775  -5.634  12.827
  360   2HD   LYS  48           HD1      LYS  48  19.128  -6.014  12.321
  361   1HE   LYS  48           HE2      LYS  48  19.927  -7.965  11.078
  362   2HE   LYS  48           HE1      LYS  48  21.596  -7.567  11.485
  363   1HZ   LYS  48           HZ1      LYS  48  19.599  -7.932  13.617
  364   2HZ   LYS  48           HZ3      LYS  48  20.330  -9.285  12.904
  365   3HZ   LYS  48           HZ2      LYS  48  21.286  -8.118  13.686
  366    H    ALA  49           HN       ALA  49  17.933  -1.871   9.408
  367    HA   ALA  49           HA       ALA  49  15.986  -1.146  11.229
  368   1HB   ALA  49           HB2      ALA  49  16.601  -0.226   8.448
  369   2HB   ALA  49           HB1      ALA  49  15.146   0.389   9.233
  370   3HB   ALA  49           HB3      ALA  49  16.725   0.655   9.971
  371    H    SER  50           HN       SER  50  14.947  -1.637   7.854
  372    HA   SER  50           HA       SER  50  12.956  -2.551   7.014
  373   1HB   SER  50           HB2      SER  50  14.166  -4.475   8.609
  374   2HB   SER  50           HB1      SER  50  12.515  -4.427   9.216
  375    HG   SER  50           HG       SER  50  11.784  -5.077   7.308
   
  No H/Q in entry =         375
  Start of MODEL   15
    1   1H    ALA   1           HT1      ALA   1 -12.331 -16.698   9.136
    2   2H    ALA   1           HT3      ALA   1 -13.657 -15.781   8.610
    3   3H    ALA   1           HT2      ALA   1 -13.318 -17.278   7.880
    4    HA   ALA   1           HA       ALA   1 -11.587 -16.478   6.654
    5   1HB   ALA   1           HB2      ALA   1 -13.667 -15.300   5.992
    6   2HB   ALA   1           HB1      ALA   1 -13.288 -14.012   7.136
    7   3HB   ALA   1           HB3      ALA   1 -12.243 -14.289   5.743
    8    H    GLU   2           HN       GLU   2 -10.137 -16.647   8.760
    9    HA   GLU   2           HA       GLU   2  -9.315 -14.022   9.810
   10   1HB   GLU   2           HB2      GLU   2  -9.280 -16.591  10.839
   11   2HB   GLU   2           HB1      GLU   2  -7.589 -16.313  10.424
   12   1HG   GLU   2           HG2      GLU   2  -9.187 -14.243  11.926
   13   2HG   GLU   2           HG1      GLU   2  -8.376 -15.563  12.769
   14    H    GLY   3           HN       GLY   3  -8.867 -13.712   7.240
   15   1HA   GLY   3           HA2      GLY   3  -6.025 -14.483   6.729
   16   2HA   GLY   3           HA1      GLY   3  -7.184 -14.053   5.472
   17    H    ASP   4           HN       ASP   4  -8.161 -11.729   5.879
   18    HA   ASP   4           HA       ASP   4  -5.830  -9.935   6.384
   19   1HB   ASP   4           HB2      ASP   4  -7.402  -8.272   5.122
   20   2HB   ASP   4           HB1      ASP   4  -6.571  -9.522   4.194
   21    H    ASP   5           HN       ASP   5  -5.949  -8.464   8.037
   22    HA   ASP   5           HA       ASP   5  -7.927  -8.662  10.060
   23   1HB   ASP   5           HB2      ASP   5  -5.627  -6.955   9.476
   24   2HB   ASP   5           HB1      ASP   5  -6.926  -6.069  10.277
   25    HA   PRO   6           HA       PRO   6 -11.196  -6.126   8.621
   26   1HB   PRO   6           HB2      PRO   6 -12.031  -4.927  10.949
   27   2HB   PRO   6           HB1      PRO   6 -12.324  -6.633  10.565
   28   1HG   PRO   6           HG2      PRO   6 -10.366  -5.459  12.492
   29   2HG   PRO   6           HG1      PRO   6 -11.118  -7.064  12.498
   30   1HD   PRO   6           HD2      PRO   6  -8.477  -6.457  11.629
   31   2HD   PRO   6           HD1      PRO   6  -9.341  -7.989  11.371
   32    H    ALA   7           HN       ALA   7  -9.284  -4.752   7.601
   33    HA   ALA   7           HA       ALA   7  -9.910  -1.975   7.974
   34   1HB   ALA   7           HB1      ALA   7  -7.265  -2.947   9.098
   35   2HB   ALA   7           HB3      ALA   7  -7.644  -1.253   8.780
   36   3HB   ALA   7           HB2      ALA   7  -8.562  -2.152   9.991
   37    H    LYS   8           HN       LYS   8  -7.532  -4.360   6.856
   38    HA   LYS   8           HA       LYS   8  -6.523  -2.649   4.733
   39   1HB   LYS   8           HB2      LYS   8  -5.377  -4.709   5.838
   40   2HB   LYS   8           HB1      LYS   8  -6.358  -5.658   4.720
   41   1HG   LYS   8           HG2      LYS   8  -5.332  -3.673   3.090
   42   2HG   LYS   8           HG1      LYS   8  -3.990  -4.013   4.181
   43   1HD   LYS   8           HD2      LYS   8  -3.882  -5.485   2.216
   44   2HD   LYS   8           HD1      LYS   8  -4.201  -6.428   3.672
   45   1HE   LYS   8           HE2      LYS   8  -6.743  -5.754   2.834
   46   2HE   LYS   8           HE1      LYS   8  -5.895  -6.012   1.310
   47   1HZ   LYS   8           HZ1      LYS   8  -5.505  -7.950   3.472
   48   2HZ   LYS   8           HZ3      LYS   8  -6.964  -7.996   2.609
   49   3HZ   LYS   8           HZ2      LYS   8  -5.488  -8.187   1.789
   50    H    ALA   9           HN       ALA   9  -8.678  -5.504   4.802
   51    HA   ALA   9           HA       ALA   9  -9.334  -5.677   2.104
   52   1HB   ALA   9           HB3      ALA   9 -10.989  -6.087   4.591
   53   2HB   ALA   9           HB2      ALA   9 -11.694  -6.315   2.991
   54   3HB   ALA   9           HB1      ALA   9 -10.323  -7.301   3.500
   55    H    ALA  10           HN       ALA  10 -10.832  -3.501   4.526
   56    HA   ALA  10           HA       ALA  10 -12.588  -2.241   2.625
   57   1HB   ALA  10           HB3      ALA  10 -11.855  -1.870   5.420
   58   2HB   ALA  10           HB2      ALA  10 -12.074  -0.333   4.584
   59   3HB   ALA  10           HB1      ALA  10 -13.379  -1.519   4.608
   60    H    PHE  11           HN       PHE  11  -9.312  -1.480   3.794
   61    HA   PHE  11           HA       PHE  11  -8.930   1.041   2.699
   62   1HB   PHE  11           HB2      PHE  11  -7.247  -0.948   3.659
   63   2HB   PHE  11           HB1      PHE  11  -6.724  -0.746   1.986
   64    HD1  PHE  11           HD2      PHE  11  -6.596   1.804   1.182
   65    HD2  PHE  11           HD1      PHE  11  -6.337   0.483   5.261
   66    HE1  PHE  11           HE2      PHE  11  -5.453   3.917   1.793
   67    HE2  PHE  11           HE1      PHE  11  -5.193   2.597   5.871
   68    HZ   PHE  11           HZ       PHE  11  -4.751   4.314   4.138
   69    H    ASP  12           HN       ASP  12  -8.567  -2.058   0.949
   70    HA   ASP  12           HA       ASP  12  -8.173  -0.823  -1.615
   71   1HB   ASP  12           HB2      ASP  12  -7.669  -3.248  -0.938
   72   2HB   ASP  12           HB1      ASP  12  -9.391  -3.554  -1.165
   73    H    SER  13           HN       SER  13 -11.054  -1.781   0.195
   74    HA   SER  13           HA       SER  13 -12.856  -1.369  -2.068
   75   1HB   SER  13           HB2      SER  13 -13.055  -2.584   0.438
   76   2HB   SER  13           HB1      SER  13 -14.123  -1.188   0.546
   77    HG   SER  13           HG       SER  13 -14.996  -3.226  -0.379
   78    H    LEU  14           HN       LEU  14 -13.010   0.292   1.104
   79    HA   LEU  14           HA       LEU  14 -14.438   2.514   0.424
   80   1HB   LEU  14           HB2      LEU  14 -13.304   3.742   2.184
   81   2HB   LEU  14           HB1      LEU  14 -13.458   2.059   2.684
   82    HG   LEU  14           HG       LEU  14 -11.098   1.783   1.588
   83   1HD1  LEU  14          HD13      LEU  14 -11.574   4.563   1.206
   84   2HD1  LEU  14          HD12      LEU  14 -10.299   4.414   2.416
   85   3HD1  LEU  14          HD11      LEU  14 -10.107   3.658   0.834
   86   1HD2  LEU  14          HD21      LEU  14 -11.979   2.091   4.155
   87   2HD2  LEU  14          HD23      LEU  14 -10.297   1.781   3.728
   88   3HD2  LEU  14          HD22      LEU  14 -10.839   3.430   4.036
   89    H    GLN  15           HN       GLN  15 -10.989   2.025  -0.376
   90    HA   GLN  15           HA       GLN  15 -10.709   4.698  -1.485
   91   1HB   GLN  15           HB2      GLN  15  -8.988   2.449  -1.072
   92   2HB   GLN  15           HB1      GLN  15  -8.854   2.951  -2.748
   93   1HG   GLN  15           HG2      GLN  15  -8.866   5.109  -0.694
   94   2HG   GLN  15           HG1      GLN  15  -7.419   4.105  -0.787
   95   1HE2  GLN  15          HE22      GLN  15  -6.710   6.750  -3.223
   96   2HE2  GLN  15          HE21      GLN  15  -6.702   6.508  -1.538
   97    H    ALA  16           HN       ALA  16 -11.106   1.465  -2.978
   98    HA   ALA  16           HA       ALA  16 -11.260   2.298  -5.646
   99   1HB   ALA  16           HB1      ALA  16 -11.344  -0.101  -4.525
  100   2HB   ALA  16           HB3      ALA  16 -13.074   0.118  -4.782
  101   3HB   ALA  16           HB2      ALA  16 -11.966   0.168  -6.153
  102    H    SER  17           HN       SER  17 -13.412   3.008  -3.219
  103    HA   SER  17           HA       SER  17 -15.782   3.250  -4.912
  104   1HB   SER  17           HB2      SER  17 -15.577   2.909  -2.277
  105   2HB   SER  17           HB1      SER  17 -15.576   4.671  -2.284
  106    HG   SER  17           HG       SER  17 -17.638   3.037  -2.523
  107    H    ALA  18           HN       ALA  18 -13.595   4.715  -6.023
  108    HA   ALA  18           HA       ALA  18 -12.919   6.883  -6.664
  109   1HB   ALA  18           HB2      ALA  18 -15.199   6.505  -7.750
  110   2HB   ALA  18           HB1      ALA  18 -15.879   7.467  -6.439
  111   3HB   ALA  18           HB3      ALA  18 -14.716   8.190  -7.550
  112    H    THR  19           HN       THR  19 -12.310   6.731  -4.105
  113    HA   THR  19           HA       THR  19 -13.684   8.970  -2.706
  114    HB   THR  19           HB       THR  19 -13.298   6.701  -1.589
  115    HG1  THR  19           HG1      THR  19 -13.323   9.083  -0.654
  116   1HG2  THR  19          HG22      THR  19 -10.468   7.775  -1.571
  117   2HG2  THR  19          HG21      THR  19 -11.027   6.402  -0.621
  118   3HG2  THR  19          HG23      THR  19 -11.023   6.312  -2.381
  119    H    GLU  20           HN       GLU  20 -10.413   7.947  -3.749
  120    HA   GLU  20           HA       GLU  20  -9.597  10.799  -3.360
  121   1HB   GLU  20           HB2      GLU  20  -7.886   8.379  -2.837
  122   2HB   GLU  20           HB1      GLU  20  -7.410  10.063  -2.638
  123   1HG   GLU  20           HG2      GLU  20  -9.847   9.688  -1.210
  124   2HG   GLU  20           HG1      GLU  20  -8.759   8.375  -0.757
  125    H    TYR  21           HN       TYR  21 -10.315  10.518  -5.728
  126    HA   TYR  21           HA       TYR  21  -9.796  10.500  -8.016
  127   1HB   TYR  21           HB2      TYR  21  -7.651  11.430  -8.601
  128   2HB   TYR  21           HB1      TYR  21  -8.135  12.184  -7.083
  129    HD1  TYR  21           HD2      TYR  21  -6.175   9.261  -8.401
  130    HD2  TYR  21           HD1      TYR  21  -6.693  12.118  -5.239
  131    HE1  TYR  21           HE2      TYR  21  -4.160   8.378  -7.289
  132    HE2  TYR  21           HE1      TYR  21  -4.667  11.235  -4.132
  133    HH   TYR  21           HH       TYR  21  -2.993   9.795  -4.224
  134    H    ILE  22           HN       ILE  22  -8.761   7.918  -6.144
  135    HA   ILE  22           HA       ILE  22  -7.837   6.567  -8.597
  136    HB   ILE  22           HB       ILE  22  -5.775   6.732  -7.520
  137   1HG1  ILE  22          HG12      ILE  22  -6.641   4.335  -5.948
  138   2HG1  ILE  22          HG11      ILE  22  -6.665   4.260  -7.683
  139   1HG2  ILE  22          HG22      ILE  22  -7.461   6.735  -5.108
  140   2HG2  ILE  22          HG21      ILE  22  -5.794   6.183  -4.958
  141   3HG2  ILE  22          HG23      ILE  22  -6.134   7.796  -5.569
  142   1HD1  ILE  22          HD11      ILE  22  -4.244   5.442  -7.271
  143   2HD1  ILE  22          HD13      ILE  22  -4.357   4.359  -5.887
  144   3HD1  ILE  22          HD12      ILE  22  -4.473   3.717  -7.520
  145    H    GLY  23           HN       GLY  23 -10.203   6.723  -6.424
  146   1HA   GLY  23           HA2      GLY  23 -10.577   4.024  -5.634
  147   2HA   GLY  23           HA1      GLY  23 -11.881   5.183  -5.915
  148    H    TYR  24           HN       TYR  24 -10.606   5.634  -8.664
  149    HA   TYR  24           HA       TYR  24 -12.267   4.281 -10.322
  150   1HB   TYR  24           HB2      TYR  24 -11.084   5.403 -11.924
  151   2HB   TYR  24           HB1      TYR  24 -10.120   6.013 -10.621
  152    HD1  TYR  24           HD1      TYR  24 -10.096   2.596 -12.058
  153    HD2  TYR  24           HD2      TYR  24  -8.022   6.290 -11.612
  154    HE1  TYR  24           HE1      TYR  24  -8.172   1.595 -12.989
  155    HE2  TYR  24           HE2      TYR  24  -6.000   5.258 -12.604
  156    HH   TYR  24           HH       TYR  24  -5.618   3.214 -14.246
  157    H    ALA  25           HN       ALA  25  -9.596   2.814  -8.539
  158    HA   ALA  25           HA       ALA  25 -10.136   0.282  -8.180
  159   1HB   ALA  25           HB2      ALA  25 -10.082   0.374 -11.209
  160   2HB   ALA  25           HB1      ALA  25 -10.046  -1.117 -10.269
  161   3HB   ALA  25           HB3      ALA  25 -11.452  -0.056 -10.184
  162    H    TRP  26           HN       TRP  26  -7.893   1.663  -7.671
  163    HA   TRP  26           HA       TRP  26  -5.767  -0.194  -8.360
  164   1HB   TRP  26           HB2      TRP  26  -4.344   1.675  -9.278
  165   2HB   TRP  26           HB1      TRP  26  -5.606   1.081 -10.335
  166    HD1  TRP  26           HD1      TRP  26  -8.044   2.612  -9.477
  167    HE1  TRP  26           HE1      TRP  26  -8.315   5.104  -9.659
  168    HE3  TRP  26           HE3      TRP  26  -3.198   3.916  -9.561
  169    HZ2  TRP  26           HZ2      TRP  26  -6.703   7.387  -9.914
  170    HZ3  TRP  26           HZ3      TRP  26  -2.542   6.297  -9.795
  171    HH2  TRP  26           HH2      TRP  26  -4.301   8.045  -9.956
  172    H    ALA  27           HN       ALA  27  -7.129   1.238  -6.084
  173    HA   ALA  27           HA       ALA  27  -5.258   3.037  -4.996
  174   1HB   ALA  27           HB1      ALA  27  -7.719   2.646  -4.294
  175   2HB   ALA  27           HB3      ALA  27  -7.085   1.322  -3.316
  176   3HB   ALA  27           HB2      ALA  27  -6.553   2.977  -3.014
  177    H    MET  28           HN       MET  28  -5.795  -0.420  -4.571
  178    HA   MET  28           HA       MET  28  -3.862  -0.908  -2.633
  179   1HB   MET  28           HB2      MET  28  -3.861  -3.255  -3.576
  180   2HB   MET  28           HB1      MET  28  -5.449  -2.625  -3.137
  181   1HG   MET  28           HG2      MET  28  -5.973  -2.111  -5.419
  182   2HG   MET  28           HG1      MET  28  -4.312  -2.406  -5.931
  183   1HE   MET  28           HE1      MET  28  -5.490  -3.523  -7.732
  184   2HE   MET  28           HE3      MET  28  -5.960  -5.230  -7.739
  185   3HE   MET  28           HE2      MET  28  -7.108  -3.998  -7.224
  186    H    VAL  29           HN       VAL  29  -3.560  -0.373  -6.061
  187    HA   VAL  29           HA       VAL  29  -1.009  -1.537  -6.513
  188    HB   VAL  29           HB       VAL  29  -2.255   0.925  -7.768
  189   1HG1  VAL  29          HG13      VAL  29   0.308   0.534  -7.973
  190   2HG1  VAL  29          HG12      VAL  29  -0.135  -0.829  -8.999
  191   3HG1  VAL  29          HG11      VAL  29  -0.612   0.807  -9.452
  192   1HG2  VAL  29          HG21      VAL  29  -3.472  -1.323  -7.915
  193   2HG2  VAL  29          HG23      VAL  29  -3.075  -0.559  -9.455
  194   3HG2  VAL  29          HG22      VAL  29  -2.094  -1.897  -8.854
  195    H    VAL  30           HN       VAL  30  -1.780   1.873  -5.723
  196    HA   VAL  30           HA       VAL  30   0.984   2.612  -5.381
  197    HB   VAL  30           HB       VAL  30   0.028   4.647  -4.278
  198   1HG1  VAL  30          HG12      VAL  30  -0.523   3.640  -6.960
  199   2HG1  VAL  30          HG11      VAL  30  -1.727   4.821  -6.443
  200   3HG1  VAL  30          HG13      VAL  30  -0.016   5.252  -6.453
  201   1HG2  VAL  30          HG23      VAL  30  -1.976   3.109  -3.439
  202   2HG2  VAL  30          HG22      VAL  30  -2.225   4.825  -3.749
  203   3HG2  VAL  30          HG21      VAL  30  -2.709   3.634  -4.954
  204    H    VAL  31           HN       VAL  31  -1.455   1.297  -3.217
  205    HA   VAL  31           HA       VAL  31  -0.240   1.924  -0.730
  206    HB   VAL  31           HB       VAL  31  -1.868  -0.488  -1.577
  207   1HG1  VAL  31          HG11      VAL  31  -0.884   0.413   1.138
  208   2HG1  VAL  31          HG13      VAL  31  -2.263  -0.668   0.939
  209   3HG1  VAL  31          HG12      VAL  31  -0.665  -1.163   0.377
  210   1HG2  VAL  31          HG22      VAL  31  -2.493   2.252  -1.043
  211   2HG2  VAL  31          HG21      VAL  31  -3.608   0.934  -1.402
  212   3HG2  VAL  31          HG23      VAL  31  -3.159   1.279   0.268
  213    H    ILE  32           HN       ILE  32  -0.017  -1.232  -2.430
  214    HA   ILE  32           HA       ILE  32   2.110  -2.210  -0.868
  215    HB   ILE  32           HB       ILE  32   0.925  -3.687  -2.214
  216   1HG1  ILE  32          HG12      ILE  32   3.484  -3.559  -3.742
  217   2HG1  ILE  32          HG11      ILE  32   3.516  -3.903  -2.013
  218   1HG2  ILE  32          HG22      ILE  32   0.751  -1.685  -4.048
  219   2HG2  ILE  32          HG21      ILE  32   1.868  -2.800  -4.832
  220   3HG2  ILE  32          HG23      ILE  32   0.264  -3.351  -4.351
  221   1HD1  ILE  32          HD11      ILE  32   1.739  -5.439  -3.913
  222   2HD1  ILE  32          HD13      ILE  32   3.398  -5.934  -3.579
  223   3HD1  ILE  32          HD12      ILE  32   2.216  -5.878  -2.272
  224    H    VAL  33           HN       VAL  33   2.360  -0.767  -4.156
  225    HA   VAL  33           HA       VAL  33   5.143  -0.809  -4.288
  226    HB   VAL  33           HB       VAL  33   3.305   1.441  -5.191
  227   1HG1  VAL  33          HG13      VAL  33   5.856   1.865  -5.020
  228   2HG1  VAL  33          HG12      VAL  33   5.994   0.726  -6.360
  229   3HG1  VAL  33          HG11      VAL  33   5.070   2.215  -6.560
  230   1HG2  VAL  33          HG21      VAL  33   2.902  -0.957  -6.037
  231   2HG2  VAL  33          HG23      VAL  33   3.143   0.284  -7.267
  232   3HG2  VAL  33          HG22      VAL  33   4.461  -0.810  -6.848
  233    H    GLY  34           HN       GLY  34   3.108   1.029  -2.189
  234   1HA   GLY  34           HA2      GLY  34   5.092   3.025  -1.476
  235   2HA   GLY  34           HA1      GLY  34   3.693   2.564  -0.490
  236    H    ALA  35           HN       ALA  35   4.020  -0.062  -0.068
  237    HA   ALA  35           HA       ALA  35   6.090  -0.200   1.923
  238   1HB   ALA  35           HB1      ALA  35   3.945  -1.931   0.906
  239   2HB   ALA  35           HB3      ALA  35   5.373  -2.820   1.438
  240   3HB   ALA  35           HB2      ALA  35   4.544  -1.733   2.553
  241    H    THR  36           HN       THR  36   5.766  -1.955  -1.274
  242    HA   THR  36           HA       THR  36   8.249  -3.274  -1.158
  243    HB   THR  36           HB       THR  36   7.098  -2.023  -3.664
  244    HG1  THR  36           HG1      THR  36   5.425  -3.184  -3.149
  245   1HG2  THR  36          HG21      THR  36   9.353  -3.638  -3.170
  246   2HG2  THR  36          HG23      THR  36   8.138  -4.710  -3.868
  247   3HG2  THR  36          HG22      THR  36   8.638  -3.260  -4.738
  248    H    ILE  37           HN       ILE  37   7.640  -0.131  -2.758
  249    HA   ILE  37           HA       ILE  37  10.394   0.497  -3.190
  250    HB   ILE  37           HB       ILE  37   8.035   2.352  -2.822
  251   1HG1  ILE  37          HG12      ILE  37   7.850   0.596  -4.638
  252   2HG1  ILE  37          HG11      ILE  37   7.815   2.258  -5.228
  253   1HG2  ILE  37          HG21      ILE  37  10.274   3.441  -2.604
  254   2HG2  ILE  37          HG23      ILE  37  10.705   2.811  -4.193
  255   3HG2  ILE  37          HG22      ILE  37   9.397   3.983  -4.035
  256   1HD1  ILE  37          HD13      ILE  37  10.424   0.768  -5.040
  257   2HD1  ILE  37          HD12      ILE  37   9.368   0.549  -6.436
  258   3HD1  ILE  37          HD11      ILE  37  10.009   2.148  -6.057
  259    H    GLY  38           HN       GLY  38   8.486   0.556  -0.352
  260   1HA   GLY  38           HA2      GLY  38   9.957   2.613   1.070
  261   2HA   GLY  38           HA1      GLY  38   8.836   1.460   1.799
  262    H    ILE  39           HN       ILE  39   9.687  -0.835   1.909
  263    HA   ILE  39           HA       ILE  39  12.177  -0.887   3.287
  264    HB   ILE  39           HB       ILE  39  10.347  -3.003   2.154
  265   1HG1  ILE  39          HG12      ILE  39   9.840  -1.845   4.310
  266   2HG1  ILE  39          HG11      ILE  39  10.111  -3.575   4.521
  267   1HG2  ILE  39          HG23      ILE  39  13.158  -3.361   3.202
  268   2HG2  ILE  39          HG22      ILE  39  11.952  -4.635   3.385
  269   3HG2  ILE  39          HG21      ILE  39  12.416  -4.085   1.775
  270   1HD1  ILE  39          HD13      ILE  39  12.651  -2.324   4.703
  271   2HD1  ILE  39          HD12      ILE  39  11.546  -1.381   5.704
  272   3HD1  ILE  39          HD11      ILE  39  11.743  -3.110   5.996
  273    H    LYS  40           HN       LYS  40  11.404  -0.731  -0.046
  274    HA   LYS  40           HA       LYS  40  13.655  -2.218  -1.095
  275   1HB   LYS  40           HB2      LYS  40  11.642  -0.320  -2.119
  276   2HB   LYS  40           HB1      LYS  40  13.178  -0.297  -2.984
  277   1HG   LYS  40           HG2      LYS  40  12.433  -3.024  -2.449
  278   2HG   LYS  40           HG1      LYS  40  11.087  -2.196  -3.232
  279   1HD   LYS  40           HD2      LYS  40  12.295  -1.754  -5.162
  280   2HD   LYS  40           HD1      LYS  40  13.845  -1.779  -4.319
  281   1HE   LYS  40           HE2      LYS  40  12.440  -4.344  -4.182
  282   2HE   LYS  40           HE1      LYS  40  12.811  -3.854  -5.835
  283   1HZ   LYS  40           HZ1      LYS  40  15.098  -3.259  -4.641
  284   2HZ   LYS  40           HZ3      LYS  40  14.608  -4.550  -3.658
  285   3HZ   LYS  40           HZ2      LYS  40  14.787  -4.781  -5.332
  286    H    LEU  41           HN       LEU  41  13.225   1.341  -1.128
  287    HA   LEU  41           HA       LEU  41  16.042   1.841  -1.416
  288   1HB   LEU  41           HB2      LEU  41  13.785   3.362  -1.688
  289   2HB   LEU  41           HB1      LEU  41  14.423   3.970  -0.159
  290    HG   LEU  41           HG       LEU  41  15.333   5.236  -2.079
  291   1HD1  LEU  41          HD12      LEU  41  16.709   4.239   0.075
  292   2HD1  LEU  41          HD11      LEU  41  17.725   3.712  -1.267
  293   3HD1  LEU  41          HD13      LEU  41  17.357   5.424  -1.059
  294   1HD2  LEU  41          HD23      LEU  41  15.354   2.775  -3.338
  295   2HD2  LEU  41          HD22      LEU  41  16.160   4.224  -3.936
  296   3HD2  LEU  41          HD21      LEU  41  17.063   3.040  -2.992
  297    H    PHE  42           HN       PHE  42  13.865   1.963   1.412
  298    HA   PHE  42           HA       PHE  42  15.727   2.892   3.319
  299   1HB   PHE  42           HB2      PHE  42  13.498   0.865   3.680
  300   2HB   PHE  42           HB1      PHE  42  14.325   1.698   4.995
  301    HD1  PHE  42           HD1      PHE  42  14.669   4.398   3.687
  302    HD2  PHE  42           HD2      PHE  42  11.291   1.749   3.891
  303    HE1  PHE  42           HE1      PHE  42  13.137   6.329   3.430
  304    HE2  PHE  42           HE2      PHE  42   9.760   3.684   3.633
  305    HZ   PHE  42           HZ       PHE  42  10.685   5.973   3.403
  306    H    LYS  43           HN       LYS  43  14.954  -0.503   2.491
  307    HA   LYS  43           HA       LYS  43  17.119  -1.550   4.104
  308   1HB   LYS  43           HB2      LYS  43  14.935  -2.726   3.252
  309   2HB   LYS  43           HB1      LYS  43  15.894  -3.056   1.809
  310   1HG   LYS  43           HG2      LYS  43  17.561  -4.233   3.091
  311   2HG   LYS  43           HG1      LYS  43  16.823  -3.728   4.612
  312   1HD   LYS  43           HD2      LYS  43  14.744  -4.954   3.190
  313   2HD   LYS  43           HD1      LYS  43  16.149  -5.985   2.909
  314   1HE   LYS  43           HE2      LYS  43  15.250  -5.032   5.642
  315   2HE   LYS  43           HE1      LYS  43  14.870  -6.615   4.966
  316   1HZ   LYS  43           HZ3      LYS  43  17.652  -5.635   5.187
  317   2HZ   LYS  43           HZ2      LYS  43  16.888  -6.455   6.465
  318   3HZ   LYS  43           HZ1      LYS  43  17.112  -7.226   4.967
  319    H    LYS  44           HN       LYS  44  17.028  -0.019   1.073
  320    HA   LYS  44           HA       LYS  44  19.176  -1.477  -0.211
  321   1HB   LYS  44           HB2      LYS  44  17.382   0.350  -1.102
  322   2HB   LYS  44           HB1      LYS  44  18.791   1.389  -0.880
  323   1HG   LYS  44           HG2      LYS  44  19.378   0.654  -2.953
  324   2HG   LYS  44           HG1      LYS  44  19.928  -0.782  -2.089
  325   1HD   LYS  44           HD2      LYS  44  18.284  -2.064  -2.962
  326   2HD   LYS  44           HD1      LYS  44  17.056  -0.838  -2.639
  327   1HE   LYS  44           HE2      LYS  44  17.164  -1.077  -5.022
  328   2HE   LYS  44           HE1      LYS  44  17.972   0.441  -4.634
  329   1HZ   LYS  44           HZ3      LYS  44  19.696  -1.871  -4.608
  330   2HZ   LYS  44           HZ2      LYS  44  19.035  -1.518  -6.133
  331   3HZ   LYS  44           HZ1      LYS  44  19.940  -0.343  -5.301
  332    H    PHE  45           HN       PHE  45  19.045   0.801   2.345
  333    HA   PHE  45           HA       PHE  45  21.990   1.259   2.070
  334   1HB   PHE  45           HB2      PHE  45  19.752   3.059   2.922
  335   2HB   PHE  45           HB1      PHE  45  21.321   3.255   3.705
  336    HD1  PHE  45           HD1      PHE  45  19.649   3.109   0.374
  337    HD2  PHE  45           HD2      PHE  45  23.118   4.329   2.594
  338    HE1  PHE  45           HE1      PHE  45  20.491   4.331  -1.613
  339    HE2  PHE  45           HE2      PHE  45  23.959   5.550   0.605
  340    HZ   PHE  45           HZ       PHE  45  22.645   5.551  -1.498
  341    H    THR  46           HN       THR  46  20.779  -1.044   3.294
  342    HA   THR  46           HA       THR  46  21.241  -2.310   5.231
  343    HB   THR  46           HB       THR  46  22.217   0.167   6.630
  344    HG1  THR  46           HG1      THR  46  23.948   0.245   5.428
  345   1HG2  THR  46          HG23      THR  46  23.028  -2.750   6.641
  346   2HG2  THR  46          HG22      THR  46  23.801  -1.489   7.600
  347   3HG2  THR  46          HG21      THR  46  22.117  -1.915   7.899
  348    H    SER  47           HN       SER  47  18.772  -0.822   4.652
  349    HA   SER  47           HA       SER  47  16.708  -0.548   5.747
  350   1HB   SER  47           HB2      SER  47  17.738  -2.434   7.229
  351   2HB   SER  47           HB1      SER  47  18.055  -1.137   8.378
  352    HG   SER  47           HG       SER  47  16.052  -1.621   8.921
  353    H    LYS  48           HN       LYS  48  16.510   0.501   8.506
  354    HA   LYS  48           HA       LYS  48  16.728   3.289   7.923
  355   1HB   LYS  48           HB2      LYS  48  15.538   1.764   9.908
  356   2HB   LYS  48           HB1      LYS  48  16.826   2.604  10.775
  357   1HG   LYS  48           HG2      LYS  48  15.922   4.674   9.356
  358   2HG   LYS  48           HG1      LYS  48  14.438   3.720   9.378
  359   1HD   LYS  48           HD2      LYS  48  15.539   3.637  12.003
  360   2HD   LYS  48           HD1      LYS  48  15.547   5.322  11.478
  361   1HE   LYS  48           HE2      LYS  48  13.103   3.658  10.983
  362   2HE   LYS  48           HE1      LYS  48  13.387   4.304  12.599
  363   1HZ   LYS  48           HZ1      LYS  48  13.847   6.251  10.565
  364   2HZ   LYS  48           HZ3      LYS  48  12.268   5.640  10.496
  365   3HZ   LYS  48           HZ2      LYS  48  12.845   6.335  11.934
  366    H    ALA  49           HN       ALA  49  18.993   0.936   8.944
  367    HA   ALA  49           HA       ALA  49  20.828   2.372  10.496
  368   1HB   ALA  49           HB1      ALA  49  20.828  -0.082   9.248
  369   2HB   ALA  49           HB3      ALA  49  22.090   0.780   8.369
  370   3HB   ALA  49           HB2      ALA  49  22.200   0.603  10.118
  371    H    SER  50           HN       SER  50  20.474   2.383   6.933
  372    HA   SER  50           HA       SER  50  21.099   4.084   5.420
  373   1HB   SER  50           HB2      SER  50  20.663   5.486   7.696
  374   2HB   SER  50           HB1      SER  50  22.390   5.767   7.501
  375    HG   SER  50           HG       SER  50  20.674   6.009   5.289
   
  No H/Q in entry =         375
  Start of MODEL   16
    1   1H    ALA   1           HT1      ALA   1 -12.828 -13.136   6.414
    2   2H    ALA   1           HT3      ALA   1 -11.996 -13.979   5.202
    3   3H    ALA   1           HT2      ALA   1 -11.689 -14.322   6.837
    4    HA   ALA   1           HA       ALA   1  -9.896 -13.008   6.351
    5   1HB   ALA   1           HB1      ALA   1 -11.320 -12.419   4.077
    6   2HB   ALA   1           HB3      ALA   1 -11.311 -10.862   4.905
    7   3HB   ALA   1           HB2      ALA   1  -9.789 -11.664   4.518
    8    H    GLU   2           HN       GLU   2 -10.942 -12.900   8.696
    9    HA   GLU   2           HA       GLU   2 -11.315  -9.998   9.280
   10   1HB   GLU   2           HB2      GLU   2 -13.060 -12.302  10.076
   11   2HB   GLU   2           HB1      GLU   2 -12.857 -10.964  11.208
   12   1HG   GLU   2           HG2      GLU   2 -13.460  -9.396   9.308
   13   2HG   GLU   2           HG1      GLU   2 -13.898 -10.824   8.369
   14    H    GLY   3           HN       GLY   3  -8.852 -11.185   9.485
   15   1HA   GLY   3           HA2      GLY   3  -8.553 -11.867  12.379
   16   2HA   GLY   3           HA1      GLY   3  -7.376 -12.265  11.125
   17    H    ASP   4           HN       ASP   4  -6.839 -10.010   9.830
   18    HA   ASP   4           HA       ASP   4  -6.395  -7.851  11.822
   19   1HB   ASP   4           HB2      ASP   4  -4.397  -9.558  11.571
   20   2HB   ASP   4           HB1      ASP   4  -4.098  -8.678  10.072
   21    H    ASP   5           HN       ASP   5  -6.826  -5.905  10.885
   22    HA   ASP   5           HA       ASP   5  -6.256  -5.479   8.025
   23   1HB   ASP   5           HB2      ASP   5  -8.669  -4.594   7.743
   24   2HB   ASP   5           HB1      ASP   5  -8.443  -6.344   7.732
   25    HA   PRO   6           HA       PRO   6  -5.690  -1.772  10.653
   26   1HB   PRO   6           HB2      PRO   6  -3.153  -1.233   9.737
   27   2HB   PRO   6           HB1      PRO   6  -3.493  -2.295  11.116
   28   1HG   PRO   6           HG2      PRO   6  -2.662  -3.036   8.341
   29   2HG   PRO   6           HG1      PRO   6  -2.422  -3.924   9.857
   30   1HD   PRO   6           HD2      PRO   6  -4.403  -4.485   7.903
   31   2HD   PRO   6           HD1      PRO   6  -4.347  -5.140   9.552
   32    H    ALA   7           HN       ALA   7  -7.383  -1.223   8.842
   33    HA   ALA   7           HA       ALA   7  -8.033   0.472   7.350
   34   1HB   ALA   7           HB3      ALA   7  -5.548   1.342   8.312
   35   2HB   ALA   7           HB2      ALA   7  -5.418   1.430   6.555
   36   3HB   ALA   7           HB1      ALA   7  -6.713   2.289   7.387
   37    H    LYS   8           HN       LYS   8  -6.441  -2.265   6.731
   38    HA   LYS   8           HA       LYS   8  -5.600  -1.893   3.980
   39   1HB   LYS   8           HB2      LYS   8  -5.581  -4.006   5.927
   40   2HB   LYS   8           HB1      LYS   8  -6.297  -4.613   4.433
   41   1HG   LYS   8           HG2      LYS   8  -4.374  -3.906   3.146
   42   2HG   LYS   8           HG1      LYS   8  -3.685  -3.084   4.546
   43   1HD   LYS   8           HD2      LYS   8  -2.520  -5.126   4.511
   44   2HD   LYS   8           HD1      LYS   8  -3.801  -5.418   5.690
   45   1HE   LYS   8           HE2      LYS   8  -4.632  -5.989   2.938
   46   2HE   LYS   8           HE1      LYS   8  -3.282  -6.990   3.471
   47   1HZ   LYS   8           HZ2      LYS   8  -5.107  -6.825   5.575
   48   2HZ   LYS   8           HZ1      LYS   8  -5.989  -7.200   4.171
   49   3HZ   LYS   8           HZ3      LYS   8  -4.698  -8.189   4.648
   50    H    ALA   9           HN       ALA   9  -8.467  -3.432   5.471
   51    HA   ALA   9           HA       ALA   9  -9.848  -4.130   3.135
   52   1HB   ALA   9           HB3      ALA   9 -10.460  -3.910   5.891
   53   2HB   ALA   9           HB2      ALA   9 -11.704  -2.999   5.033
   54   3HB   ALA   9           HB1      ALA   9 -11.425  -4.696   4.641
   55    H    ALA  10           HN       ALA  10 -10.553  -1.144   4.984
   56    HA   ALA  10           HA       ALA  10 -12.001   0.109   2.893
   57   1HB   ALA  10           HB3      ALA  10 -11.655   0.768   5.433
   58   2HB   ALA  10           HB2      ALA  10 -10.361   1.767   4.771
   59   3HB   ALA  10           HB1      ALA  10 -12.023   2.004   4.230
   60    H    PHE  11           HN       PHE  11  -8.527   0.004   3.549
   61    HA   PHE  11           HA       PHE  11  -7.585   2.077   1.961
   62   1HB   PHE  11           HB2      PHE  11  -6.541  -0.465   2.877
   63   2HB   PHE  11           HB1      PHE  11  -5.967  -0.109   1.247
   64    HD1  PHE  11           HD2      PHE  11  -5.842   2.811   1.204
   65    HD2  PHE  11           HD1      PHE  11  -4.766   0.074   4.333
   66    HE1  PHE  11           HE2      PHE  11  -4.262   4.485   2.124
   67    HE2  PHE  11           HE1      PHE  11  -3.186   1.748   5.253
   68    HZ   PHE  11           HZ       PHE  11  -2.932   3.953   4.150
   69    H    ASP  12           HN       ASP  12  -8.375  -1.208   0.793
   70    HA   ASP  12           HA       ASP  12  -8.095  -0.502  -1.986
   71   1HB   ASP  12           HB2      ASP  12  -8.239  -2.858  -0.746
   72   2HB   ASP  12           HB1      ASP  12  -9.949  -2.692  -1.142
   73    H    SER  13           HN       SER  13 -10.786  -0.396   0.302
   74    HA   SER  13           HA       SER  13 -12.818   0.090  -1.717
   75   1HB   SER  13           HB2      SER  13 -12.825   0.672   1.255
   76   2HB   SER  13           HB1      SER  13 -14.239   0.738   0.208
   77    HG   SER  13           HG       SER  13 -12.602  -1.561   0.374
   78    H    LEU  14           HN       LEU  14 -11.985   2.355   0.904
   79    HA   LEU  14           HA       LEU  14 -12.865   4.710  -0.155
   80   1HB   LEU  14           HB2      LEU  14 -11.172   5.875   1.130
   81   2HB   LEU  14           HB1      LEU  14 -11.655   4.440   2.035
   82    HG   LEU  14           HG       LEU  14  -9.676   3.300   0.734
   83   1HD1  LEU  14          HD13      LEU  14  -9.482   6.005  -0.145
   84   2HD1  LEU  14          HD12      LEU  14  -8.092   5.685   0.891
   85   3HD1  LEU  14          HD11      LEU  14  -8.396   4.665  -0.516
   86   1HD2  LEU  14          HD22      LEU  14 -10.002   4.353   3.266
   87   2HD2  LEU  14          HD21      LEU  14  -8.624   3.387   2.746
   88   3HD2  LEU  14          HD23      LEU  14  -8.527   5.146   2.715
   89    H    GLN  15           HN       GLN  15  -9.865   3.046  -1.145
   90    HA   GLN  15           HA       GLN  15  -8.978   5.203  -2.850
   91   1HB   GLN  15           HB2      GLN  15  -8.120   2.488  -2.266
   92   2HB   GLN  15           HB1      GLN  15  -7.951   2.874  -3.971
   93   1HG   GLN  15           HG2      GLN  15  -7.077   5.018  -2.134
   94   2HG   GLN  15           HG1      GLN  15  -6.107   3.546  -2.064
   95   1HE2  GLN  15          HE22      GLN  15  -4.592   5.541  -4.782
   96   2HE2  GLN  15          HE21      GLN  15  -4.701   5.610  -3.086
   97    H    ALA  16           HN       ALA  16 -10.311   2.017  -3.789
   98    HA   ALA  16           HA       ALA  16 -10.762   2.507  -6.458
   99   1HB   ALA  16           HB2      ALA  16 -11.588   0.569  -4.620
  100   2HB   ALA  16           HB1      ALA  16 -13.053   1.129  -5.425
  101   3HB   ALA  16           HB3      ALA  16 -11.717   0.483  -6.376
  102    H    SER  17           HN       SER  17 -12.370   4.018  -3.925
  103    HA   SER  17           HA       SER  17 -14.709   4.813  -5.487
  104   1HB   SER  17           HB2      SER  17 -15.385   6.041  -3.537
  105   2HB   SER  17           HB1      SER  17 -14.702   4.521  -2.966
  106    HG   SER  17           HG       SER  17 -13.908   6.377  -1.837
  107    H    ALA  18           HN       ALA  18 -12.304   5.541  -6.823
  108    HA   ALA  18           HA       ALA  18 -11.111   7.378  -7.693
  109   1HB   ALA  18           HB2      ALA  18 -13.999   7.983  -7.683
  110   2HB   ALA  18           HB1      ALA  18 -12.952   9.392  -7.845
  111   3HB   ALA  18           HB3      ALA  18 -12.834   8.068  -9.004
  112    H    THR  19           HN       THR  19 -10.272   7.270  -5.247
  113    HA   THR  19           HA       THR  19 -10.874   9.879  -3.928
  114    HB   THR  19           HB       THR  19 -10.960   7.538  -2.729
  115    HG1  THR  19           HG1      THR  19  -9.439   9.546  -1.470
  116   1HG2  THR  19          HG23      THR  19  -8.618   6.966  -3.541
  117   2HG2  THR  19          HG22      THR  19  -8.022   8.183  -2.415
  118   3HG2  THR  19          HG21      THR  19  -8.880   6.770  -1.808
  119    H    GLU  20           HN       GLU  20  -8.125   7.893  -5.077
  120    HA   GLU  20           HA       GLU  20  -6.492  10.401  -4.978
  121   1HB   GLU  20           HB2      GLU  20  -5.561   7.595  -4.409
  122   2HB   GLU  20           HB1      GLU  20  -4.537   9.025  -4.461
  123   1HG   GLU  20           HG2      GLU  20  -6.741   9.600  -2.745
  124   2HG   GLU  20           HG1      GLU  20  -6.074   8.040  -2.262
  125    H    TYR  21           HN       TYR  21  -7.540  10.207  -7.253
  126    HA   TYR  21           HA       TYR  21  -7.284   9.952  -9.568
  127   1HB   TYR  21           HB2      TYR  21  -5.051  10.211 -10.415
  128   2HB   TYR  21           HB1      TYR  21  -5.124  11.125  -8.910
  129    HD1  TYR  21           HD2      TYR  21  -4.243   7.709 -10.209
  130    HD2  TYR  21           HD1      TYR  21  -3.536  10.727  -7.238
  131    HE1  TYR  21           HE2      TYR  21  -2.433   6.334  -9.261
  132    HE2  TYR  21           HE1      TYR  21  -1.716   9.348  -6.292
  133    HH   TYR  21           HH       TYR  21  -1.329   6.292  -6.662
  134    H    ILE  22           HN       ILE  22  -6.783   7.269  -7.607
  135    HA   ILE  22           HA       ILE  22  -6.567   5.605 -10.030
  136    HB   ILE  22           HB       ILE  22  -4.449   5.189  -9.139
  137   1HG1  ILE  22          HG12      ILE  22  -5.829   3.217  -7.357
  138   2HG1  ILE  22          HG11      ILE  22  -6.034   3.086  -9.079
  139   1HG2  ILE  22          HG21      ILE  22  -5.772   5.990  -6.705
  140   2HG2  ILE  22          HG23      ILE  22  -4.603   4.698  -6.484
  141   3HG2  ILE  22          HG22      ILE  22  -4.107   6.217  -7.225
  142   1HD1  ILE  22          HD13      ILE  22  -3.335   3.525  -8.888
  143   2HD1  ILE  22          HD12      ILE  22  -3.660   2.526  -7.477
  144   3HD1  ILE  22          HD11      ILE  22  -4.083   1.946  -9.082
  145    H    GLY  23           HN       GLY  23  -8.536   6.545  -7.654
  146   1HA   GLY  23           HA2      GLY  23  -9.621   4.125  -6.655
  147   2HA   GLY  23           HA1      GLY  23 -10.543   5.607  -6.927
  148    H    TYR  24           HN       TYR  24  -9.485   5.534  -9.788
  149    HA   TYR  24           HA       TYR  24 -11.618   4.666 -11.206
  150   1HB   TYR  24           HB2      TYR  24 -10.312   5.344 -12.950
  151   2HB   TYR  24           HB1      TYR  24  -9.066   5.632 -11.779
  152    HD1  TYR  24           HD1      TYR  24 -10.303   2.372 -13.029
  153    HD2  TYR  24           HD2      TYR  24  -7.113   5.194 -12.970
  154    HE1  TYR  24           HE1      TYR  24  -8.909   0.781 -14.078
  155    HE2  TYR  24           HE2      TYR  24  -5.644   3.544 -14.084
  156    HH   TYR  24           HH       TYR  24  -6.933   0.592 -15.402
  157    H    ALA  25           HN       ALA  25  -9.323   2.541  -9.563
  158    HA   ALA  25           HA       ALA  25 -10.495   0.315  -8.935
  159   1HB   ALA  25           HB2      ALA  25 -10.876   0.243 -11.943
  160   2HB   ALA  25           HB1      ALA  25 -11.134  -1.143 -10.883
  161   3HB   ALA  25           HB3      ALA  25 -12.138   0.297 -10.711
  162    H    TRP  26           HN       TRP  26  -7.913   0.941  -8.792
  163    HA   TRP  26           HA       TRP  26  -6.543  -1.483  -9.631
  164   1HB   TRP  26           HB2      TRP  26  -4.753  -0.137 -10.792
  165   2HB   TRP  26           HB1      TRP  26  -6.255  -0.344 -11.670
  166    HD1  TRP  26           HD1      TRP  26  -8.020   1.855 -10.655
  167    HE1  TRP  26           HE1      TRP  26  -7.560   4.314 -10.933
  168    HE3  TRP  26           HE3      TRP  26  -3.048   1.655 -11.259
  169    HZ2  TRP  26           HZ2      TRP  26  -5.374   6.008 -11.449
  170    HZ3  TRP  26           HZ3      TRP  26  -1.738   3.719 -11.672
  171    HH2  TRP  26           HH2      TRP  26  -2.901   5.913 -11.752
  172    H    ALA  27           HN       ALA  27  -7.132   0.251  -7.288
  173    HA   ALA  27           HA       ALA  27  -4.819   1.558  -6.469
  174   1HB   ALA  27           HB3      ALA  27  -7.279   1.234  -5.365
  175   2HB   ALA  27           HB2      ALA  27  -6.335   0.143  -4.349
  176   3HB   ALA  27           HB1      ALA  27  -5.891   1.845  -4.465
  177    H    MET  28           HN       MET  28  -5.656  -1.791  -6.590
  178    HA   MET  28           HA       MET  28  -4.080  -3.080  -4.811
  179   1HB   MET  28           HB2      MET  28  -4.366  -3.702  -7.751
  180   2HB   MET  28           HB1      MET  28  -3.671  -4.820  -6.575
  181   1HG   MET  28           HG2      MET  28  -6.391  -3.601  -6.125
  182   2HG   MET  28           HG1      MET  28  -6.200  -5.044  -7.121
  183   1HE   MET  28           HE1      MET  28  -7.316  -6.573  -6.191
  184   2HE   MET  28           HE3      MET  28  -5.902  -7.604  -5.921
  185   3HE   MET  28           HE2      MET  28  -7.104  -7.399  -4.650
  186    H    VAL  29           HN       VAL  29  -2.912  -1.510  -7.775
  187    HA   VAL  29           HA       VAL  29  -0.226  -2.362  -7.695
  188    HB   VAL  29           HB       VAL  29  -1.226  -1.045  -9.554
  189   1HG1  VAL  29          HG12      VAL  29  -2.399   0.576  -7.990
  190   2HG1  VAL  29          HG11      VAL  29  -0.835   1.356  -7.752
  191   3HG1  VAL  29          HG13      VAL  29  -1.569   1.323  -9.355
  192   1HG2  VAL  29          HG22      VAL  29   1.342  -1.111  -8.799
  193   2HG2  VAL  29          HG21      VAL  29   0.806  -0.144 -10.175
  194   3HG2  VAL  29          HG23      VAL  29   1.065   0.621  -8.606
  195    H    VAL  30           HN       VAL  30  -1.645   0.545  -6.141
  196    HA   VAL  30           HA       VAL  30   0.789   1.348  -4.857
  197    HB   VAL  30           HB       VAL  30  -1.189   2.838  -5.136
  198   1HG1  VAL  30          HG13      VAL  30  -2.432   0.653  -3.628
  199   2HG1  VAL  30          HG12      VAL  30  -2.786   2.240  -2.950
  200   3HG1  VAL  30          HG11      VAL  30  -3.184   1.892  -4.632
  201   1HG2  VAL  30          HG23      VAL  30   0.590   2.742  -3.046
  202   2HG2  VAL  30          HG22      VAL  30  -0.562   4.051  -3.312
  203   3HG2  VAL  30          HG21      VAL  30  -0.955   2.745  -2.194
  204    H    VAL  31           HN       VAL  31  -1.583  -1.090  -4.118
  205    HA   VAL  31           HA       VAL  31  -1.115  -1.362  -1.319
  206    HB   VAL  31           HB       VAL  31  -1.850  -3.473  -3.370
  207   1HG1  VAL  31          HG13      VAL  31  -1.366  -3.567  -0.478
  208   2HG1  VAL  31          HG12      VAL  31  -2.951  -4.187  -0.942
  209   3HG1  VAL  31          HG11      VAL  31  -1.490  -4.887  -1.640
  210   1HG2  VAL  31          HG21      VAL  31  -3.498  -1.679  -1.564
  211   2HG2  VAL  31          HG23      VAL  31  -3.481  -1.679  -3.327
  212   3HG2  VAL  31          HG22      VAL  31  -4.157  -3.053  -2.452
  213    H    ILE  32           HN       ILE  32   0.154  -3.537  -3.884
  214    HA   ILE  32           HA       ILE  32   2.160  -4.637  -2.206
  215    HB   ILE  32           HB       ILE  32   1.575  -5.753  -4.163
  216   1HG1  ILE  32          HG12      ILE  32   4.164  -5.026  -5.233
  217   2HG1  ILE  32          HG11      ILE  32   4.201  -5.220  -3.480
  218   1HG2  ILE  32          HG21      ILE  32   1.266  -3.345  -5.349
  219   2HG2  ILE  32          HG23      ILE  32   2.775  -3.887  -6.081
  220   3HG2  ILE  32          HG22      ILE  32   1.316  -4.864  -6.240
  221   1HD1  ILE  32          HD13      ILE  32   2.774  -7.292  -5.100
  222   2HD1  ILE  32          HD12      ILE  32   4.537  -7.310  -5.088
  223   3HD1  ILE  32          HD11      ILE  32   3.644  -7.465  -3.575
  224    H    VAL  33           HN       VAL  33   2.574  -2.152  -4.784
  225    HA   VAL  33           HA       VAL  33   5.274  -1.660  -4.322
  226    HB   VAL  33           HB       VAL  33   3.098   0.399  -4.854
  227   1HG1  VAL  33          HG11      VAL  33   5.451   1.139  -3.962
  228   2HG1  VAL  33          HG13      VAL  33   6.002   0.705  -5.580
  229   3HG1  VAL  33          HG12      VAL  33   4.772   1.952  -5.372
  230   1HG2  VAL  33          HG23      VAL  33   4.965  -1.141  -6.688
  231   2HG2  VAL  33          HG22      VAL  33   3.216  -1.340  -6.574
  232   3HG2  VAL  33          HG21      VAL  33   3.893   0.160  -7.208
  233    H    GLY  34           HN       GLY  34   2.570  -1.033  -2.247
  234   1HA   GLY  34           HA2      GLY  34   3.910   0.874  -0.522
  235   2HA   GLY  34           HA1      GLY  34   2.526  -0.133  -0.068
  236    H    ALA  35           HN       ALA  35   3.370  -2.644  -0.379
  237    HA   ALA  35           HA       ALA  35   5.094  -3.095   1.873
  238   1HB   ALA  35           HB1      ALA  35   3.494  -4.681   0.047
  239   2HB   ALA  35           HB3      ALA  35   5.055  -5.449   0.337
  240   3HB   ALA  35           HB2      ALA  35   4.000  -5.056   1.695
  241    H    THR  36           HN       THR  36   5.684  -3.514  -1.701
  242    HA   THR  36           HA       THR  36   8.358  -4.433  -1.427
  243    HB   THR  36           HB       THR  36   7.749  -2.627  -3.704
  244    HG1  THR  36           HG1      THR  36   6.238  -4.894  -2.992
  245   1HG2  THR  36          HG21      THR  36   8.773  -5.460  -3.394
  246   2HG2  THR  36          HG23      THR  36   8.594  -4.634  -4.942
  247   3HG2  THR  36          HG22      THR  36   9.734  -4.023  -3.742
  248    H    ILE  37           HN       ILE  37   7.439  -1.129  -2.432
  249    HA   ILE  37           HA       ILE  37  10.010   0.016  -1.939
  250    HB   ILE  37           HB       ILE  37   7.232   1.165  -2.150
  251   1HG1  ILE  37          HG12      ILE  37   8.106   2.033  -4.276
  252   2HG1  ILE  37          HG11      ILE  37   9.708   1.402  -3.895
  253   1HG2  ILE  37          HG21      ILE  37   9.839   2.661  -1.706
  254   2HG2  ILE  37          HG23      ILE  37   8.337   3.419  -2.237
  255   3HG2  ILE  37          HG22      ILE  37   8.429   2.664  -0.645
  256   1HD1  ILE  37          HD12      ILE  37   7.228  -0.321  -4.140
  257   2HD1  ILE  37          HD11      ILE  37   8.393  -0.077  -5.441
  258   3HD1  ILE  37          HD13      ILE  37   8.890  -0.880  -3.952
  259    H    GLY  38           HN       GLY  38   7.486  -0.813   0.237
  260   1HA   GLY  38           HA2      GLY  38   8.163   1.063   2.337
  261   2HA   GLY  38           HA1      GLY  38   7.161  -0.379   2.533
  262    H    ILE  39           HN       ILE  39   8.426  -2.473   2.398
  263    HA   ILE  39           HA       ILE  39  10.487  -2.476   4.366
  264    HB   ILE  39           HB       ILE  39   9.745  -4.600   2.327
  265   1HG1  ILE  39          HG12      ILE  39   7.837  -3.994   3.728
  266   2HG1  ILE  39          HG11      ILE  39   8.460  -5.558   4.252
  267   1HG2  ILE  39          HG22      ILE  39  11.851  -4.432   4.295
  268   2HG2  ILE  39          HG21      ILE  39  10.722  -5.713   4.736
  269   3HG2  ILE  39          HG23      ILE  39  11.505  -5.733   3.155
  270   1HD1  ILE  39          HD13      ILE  39   9.764  -4.410   6.035
  271   2HD1  ILE  39          HD12      ILE  39   9.046  -2.877   5.541
  272   3HD1  ILE  39          HD11      ILE  39   8.027  -4.153   6.206
  273    H    LYS  40           HN       LYS  40  10.493  -1.641   1.052
  274    HA   LYS  40           HA       LYS  40  13.223  -2.578   0.491
  275   1HB   LYS  40           HB2      LYS  40  11.625  -2.244  -1.350
  276   2HB   LYS  40           HB1      LYS  40  11.506  -0.529  -0.950
  277   1HG   LYS  40           HG2      LYS  40  14.032  -0.408  -1.290
  278   2HG   LYS  40           HG1      LYS  40  13.924  -2.027  -1.983
  279   1HD   LYS  40           HD2      LYS  40  11.936  -0.150  -3.068
  280   2HD   LYS  40           HD1      LYS  40  13.604   0.314  -3.402
  281   1HE   LYS  40           HE2      LYS  40  13.472  -2.477  -3.826
  282   2HE   LYS  40           HE1      LYS  40  12.045  -1.794  -4.605
  283   1HZ   LYS  40           HZ1      LYS  40  14.557  -0.374  -4.996
  284   2HZ   LYS  40           HZ3      LYS  40  14.411  -1.874  -5.773
  285   3HZ   LYS  40           HZ2      LYS  40  13.280  -0.646  -6.084
  286    H    LEU  41           HN       LEU  41  12.055   0.793   0.340
  287    HA   LEU  41           HA       LEU  41  14.526   2.025   0.793
  288   1HB   LEU  41           HB2      LEU  41  11.686   2.820   1.255
  289   2HB   LEU  41           HB1      LEU  41  12.939   3.813   2.002
  290    HG   LEU  41           HG       LEU  41  12.389   4.673  -0.234
  291   1HD1  LEU  41          HD11      LEU  41  14.855   4.370   0.768
  292   2HD1  LEU  41          HD13      LEU  41  15.037   3.369  -0.672
  293   3HD1  LEU  41          HD12      LEU  41  14.581   5.065  -0.830
  294   1HD2  LEU  41          HD21      LEU  41  11.702   2.363  -1.089
  295   2HD2  LEU  41          HD23      LEU  41  12.644   3.344  -2.212
  296   3HD2  LEU  41          HD22      LEU  41  13.420   2.039  -1.316
  297    H    PHE  42           HN       PHE  42  12.235   0.730   3.170
  298    HA   PHE  42           HA       PHE  42  13.657   1.745   5.479
  299   1HB   PHE  42           HB2      PHE  42  11.270   0.281   4.980
  300   2HB   PHE  42           HB1      PHE  42  12.250  -0.689   6.078
  301    HD1  PHE  42           HD2      PHE  42  11.535   2.968   5.590
  302    HD2  PHE  42           HD1      PHE  42  11.802  -0.331   8.328
  303    HE1  PHE  42           HE2      PHE  42  10.922   4.473   7.463
  304    HE2  PHE  42           HE1      PHE  42  11.191   1.175  10.202
  305    HZ   PHE  42           HZ       PHE  42  10.750   3.576   9.769
  306    H    LYS  43           HN       LYS  43  13.348  -1.614   4.294
  307    HA   LYS  43           HA       LYS  43  15.751  -2.408   5.759
  308   1HB   LYS  43           HB2      LYS  43  13.702  -3.876   5.359
  309   2HB   LYS  43           HB1      LYS  43  14.261  -4.035   3.693
  310   1HG   LYS  43           HG2      LYS  43  16.265  -5.122   4.349
  311   2HG   LYS  43           HG1      LYS  43  16.071  -4.633   6.033
  312   1HD   LYS  43           HD2      LYS  43  13.910  -6.012   6.026
  313   2HD   LYS  43           HD1      LYS  43  14.477  -6.691   4.500
  314   1HE   LYS  43           HE2      LYS  43  15.897  -6.808   7.174
  315   2HE   LYS  43           HE1      LYS  43  15.183  -8.161   6.297
  316   1HZ   LYS  43           HZ1      LYS  43  16.788  -7.268   4.431
  317   2HZ   LYS  43           HZ3      LYS  43  17.657  -6.701   5.772
  318   3HZ   LYS  43           HZ2      LYS  43  17.322  -8.360   5.618
  319    H    LYS  44           HN       LYS  44  15.876  -0.427   3.387
  320    HA   LYS  44           HA       LYS  44  17.245  -1.774   1.248
  321   1HB   LYS  44           HB2      LYS  44  16.194   0.660   1.399
  322   2HB   LYS  44           HB1      LYS  44  17.826   1.091   1.911
  323   1HG   LYS  44           HG2      LYS  44  18.025   1.314  -0.395
  324   2HG   LYS  44           HG1      LYS  44  18.532  -0.362  -0.180
  325   1HD   LYS  44           HD2      LYS  44  16.350  -1.183  -0.793
  326   2HD   LYS  44           HD1      LYS  44  15.676   0.448  -0.776
  327   1HE   LYS  44           HE2      LYS  44  17.981  -0.240  -2.589
  328   2HE   LYS  44           HE1      LYS  44  16.321  -0.585  -3.073
  329   1HZ   LYS  44           HZ2      LYS  44  15.825   1.794  -2.533
  330   2HZ   LYS  44           HZ1      LYS  44  17.500   2.048  -2.395
  331   3HZ   LYS  44           HZ3      LYS  44  16.839   1.557  -3.877
  332    H    PHE  45           HN       PHE  45  18.253  -0.299   4.281
  333    HA   PHE  45           HA       PHE  45  20.521  -1.814   4.728
  334   1HB   PHE  45           HB2      PHE  45  22.306  -0.050   3.916
  335   2HB   PHE  45           HB1      PHE  45  21.688  -1.255   2.788
  336    HD1  PHE  45           HD1      PHE  45  19.744   1.667   4.025
  337    HD2  PHE  45           HD2      PHE  45  21.973  -0.006   0.753
  338    HE1  PHE  45           HE1      PHE  45  18.917   3.471   2.543
  339    HE2  PHE  45           HE2      PHE  45  21.145   1.802  -0.730
  340    HZ   PHE  45           HZ       PHE  45  19.617   3.539   0.165
  341    H    THR  46           HN       THR  46  18.894  -0.773   6.505
  342    HA   THR  46           HA       THR  46  18.900   0.432   8.524
  343    HB   THR  46           HB       THR  46  21.622   1.471   7.693
  344    HG1  THR  46           HG1      THR  46  21.306  -0.900   7.659
  345   1HG2  THR  46          HG22      THR  46  19.939   1.739  10.016
  346   2HG2  THR  46          HG21      THR  46  21.427   0.899  10.453
  347   3HG2  THR  46          HG23      THR  46  21.502   2.488   9.692
  348    H    SER  47           HN       SER  47  18.163   1.519   5.777
  349    HA   SER  47           HA       SER  47  18.742   4.209   5.397
  350   1HB   SER  47           HB2      SER  47  17.271   3.279   3.816
  351   2HB   SER  47           HB1      SER  47  16.192   2.640   5.053
  352    HG   SER  47           HG       SER  47  16.630   5.387   4.450
  353    H    LYS  48           HN       LYS  48  15.532   3.706   6.724
  354    HA   LYS  48           HA       LYS  48  16.033   5.930   8.612
  355   1HB   LYS  48           HB2      LYS  48  13.631   4.657   7.390
  356   2HB   LYS  48           HB1      LYS  48  13.435   5.375   8.989
  357   1HG   LYS  48           HG2      LYS  48  14.437   7.488   8.129
  358   2HG   LYS  48           HG1      LYS  48  14.509   6.766   6.520
  359   1HD   LYS  48           HD2      LYS  48  11.906   6.281   7.196
  360   2HD   LYS  48           HD1      LYS  48  12.186   7.822   8.004
  361   1HE   LYS  48           HE2      LYS  48  11.427   8.338   5.785
  362   2HE   LYS  48           HE1      LYS  48  13.158   8.670   5.820
  363   1HZ   LYS  48           HZ3      LYS  48  13.493   6.390   4.929
  364   2HZ   LYS  48           HZ2      LYS  48  11.811   6.264   4.724
  365   3HZ   LYS  48           HZ1      LYS  48  12.690   7.435   3.862
  366    H    ALA  49           HN       ALA  49  14.737   2.595   8.690
  367    HA   ALA  49           HA       ALA  49  15.847   2.319  11.422
  368   1HB   ALA  49           HB2      ALA  49  13.423   3.129  11.544
  369   2HB   ALA  49           HB1      ALA  49  12.972   1.571  10.853
  370   3HB   ALA  49           HB3      ALA  49  13.786   1.640  12.416
  371    H    SER  50           HN       SER  50  16.296   1.177   8.657
  372    HA   SER  50           HA       SER  50  16.594  -0.935   7.654
  373   1HB   SER  50           HB2      SER  50  17.041  -2.579   9.874
  374   2HB   SER  50           HB1      SER  50  18.264  -1.709   8.954
  375    HG   SER  50           HG       SER  50  18.540  -0.817  10.871
   
  No H/Q in entry =         375
  Start of MODEL   17
    1   1H    ALA   1           HT1      ALA   1   3.841  -1.149  14.836
    2   2H    ALA   1           HT3      ALA   1   3.927  -1.206  16.528
    3   3H    ALA   1           HT2      ALA   1   2.620  -0.427  15.772
    4    HA   ALA   1           HA       ALA   1   3.765   1.447  16.076
    5   1HB   ALA   1           HB3      ALA   1   5.872  -0.524  16.749
    6   2HB   ALA   1           HB2      ALA   1   6.455   1.048  16.203
    7   3HB   ALA   1           HB1      ALA   1   5.388   0.941  17.602
    8    H    GLU   2           HN       GLU   2   3.135   0.396  13.515
    9    HA   GLU   2           HA       GLU   2   5.362   1.583  11.910
   10   1HB   GLU   2           HB2      GLU   2   3.641  -0.799  11.146
   11   2HB   GLU   2           HB1      GLU   2   4.873  -0.054  10.127
   12   1HG   GLU   2           HG2      GLU   2   6.362  -0.485  12.324
   13   2HG   GLU   2           HG1      GLU   2   5.194  -1.791  12.525
   14    H    GLY   3           HN       GLY   3   4.217   3.590  11.828
   15   1HA   GLY   3           HA2      GLY   3   1.458   3.830  11.091
   16   2HA   GLY   3           HA1      GLY   3   2.657   5.117  10.963
   17    H    ASP   4           HN       ASP   4   4.450   4.065   9.152
   18    HA   ASP   4           HA       ASP   4   2.960   3.106   6.801
   19   1HB   ASP   4           HB2      ASP   4   4.506   5.685   6.539
   20   2HB   ASP   4           HB1      ASP   4   3.335   4.988   5.419
   21    H    ASP   5           HN       ASP   5   4.537   2.772   4.931
   22    HA   ASP   5           HA       ASP   5   6.760   1.241   5.753
   23   1HB   ASP   5           HB2      ASP   5   5.623   2.129   3.257
   24   2HB   ASP   5           HB1      ASP   5   7.377   2.301   3.191
   25    HA   PRO   6           HA       PRO   6   9.781   4.270   6.711
   26   1HB   PRO   6           HB2      PRO   6  12.021   2.699   6.441
   27   2HB   PRO   6           HB1      PRO   6  10.912   2.596   7.821
   28   1HG   PRO   6           HG2      PRO   6  11.218   0.713   5.519
   29   2HG   PRO   6           HG1      PRO   6  10.617   0.393   7.156
   30   1HD   PRO   6           HD2      PRO   6   9.018   0.742   4.831
   31   2HD   PRO   6           HD1      PRO   6   8.437   0.720   6.510
   32    H    ALA   7           HN       ALA   7   9.920   2.488   3.696
   33    HA   ALA   7           HA       ALA   7  11.220   4.838   2.427
   34   1HB   ALA   7           HB1      ALA   7  12.508   2.315   2.880
   35   2HB   ALA   7           HB3      ALA   7  12.248   2.512   1.146
   36   3HB   ALA   7           HB2      ALA   7  13.143   3.735   2.048
   37    H    LYS   8           HN       LYS   8   8.504   4.196   2.320
   38    HA   LYS   8           HA       LYS   8   7.656   2.504   0.232
   39   1HB   LYS   8           HB2      LYS   8   5.742   4.196  -0.006
   40   2HB   LYS   8           HB1      LYS   8   5.974   3.501   1.599
   41   1HG   LYS   8           HG2      LYS   8   7.671   5.710   1.586
   42   2HG   LYS   8           HG1      LYS   8   6.233   6.276   0.735
   43   1HD   LYS   8           HD2      LYS   8   5.128   4.874   2.823
   44   2HD   LYS   8           HD1      LYS   8   6.571   5.560   3.571
   45   1HE   LYS   8           HE2      LYS   8   5.916   7.805   2.712
   46   2HE   LYS   8           HE1      LYS   8   4.436   7.098   2.065
   47   1HZ   LYS   8           HZ2      LYS   8   4.893   6.436   4.819
   48   2HZ   LYS   8           HZ1      LYS   8   4.741   8.109   4.562
   49   3HZ   LYS   8           HZ3      LYS   8   3.502   7.061   4.071
   50    H    ALA   9           HN       ALA   9   9.178   5.665   0.095
   51    HA   ALA   9           HA       ALA   9   8.540   6.475  -2.517
   52   1HB   ALA   9           HB3      ALA   9  11.163   6.717  -1.016
   53   2HB   ALA   9           HB2      ALA   9  10.809   7.564  -2.522
   54   3HB   ALA   9           HB1      ALA   9   9.862   7.906  -1.074
   55    H    ALA  10           HN       ALA  10  11.622   4.821  -1.728
   56    HA   ALA  10           HA       ALA  10  12.227   4.072  -4.376
   57   1HB   ALA  10           HB1      ALA  10  13.171   3.372  -1.722
   58   2HB   ALA  10           HB3      ALA  10  13.178   1.968  -2.788
   59   3HB   ALA  10           HB2      ALA  10  14.061   3.425  -3.243
   60    H    PHE  11           HN       PHE  11  10.173   2.447  -1.983
   61    HA   PHE  11           HA       PHE  11   9.803  -0.041  -3.169
   62   1HB   PHE  11           HB2      PHE  11   8.423   1.493  -1.262
   63   2HB   PHE  11           HB1      PHE  11   7.218   1.092  -2.487
   64    HD1  PHE  11           HD1      PHE  11   6.653  -1.241  -2.997
   65    HD2  PHE  11           HD2      PHE  11   9.526  -0.248   0.038
   66    HE1  PHE  11           HE1      PHE  11   6.540  -3.561  -2.130
   67    HE2  PHE  11           HE2      PHE  11   9.414  -2.567   0.905
   68    HZ   PHE  11           HZ       PHE  11   7.919  -4.225  -0.178
   69    H    ASP  12           HN       ASP  12   8.106   2.984  -4.036
   70    HA   ASP  12           HA       ASP  12   6.717   1.809  -6.277
   71   1HB   ASP  12           HB2      ASP  12   5.978   3.913  -5.178
   72   2HB   ASP  12           HB1      ASP  12   7.431   4.716  -5.776
   73    H    SER  13           HN       SER  13   9.862   3.333  -5.850
   74    HA   SER  13           HA       SER  13  10.392   3.520  -8.720
   75   1HB   SER  13           HB2      SER  13  12.298   3.685  -6.369
   76   2HB   SER  13           HB1      SER  13  12.676   4.134  -8.028
   77    HG   SER  13           HG       SER  13  12.065   5.952  -6.814
   78    H    LEU  14           HN       LEU  14  12.439   1.828  -6.346
   79    HA   LEU  14           HA       LEU  14  13.654  -0.009  -7.969
   80   1HB   LEU  14           HB2      LEU  14  13.844  -1.501  -6.050
   81   2HB   LEU  14           HB1      LEU  14  13.985   0.168  -5.497
   82    HG   LEU  14           HG       LEU  14  11.312  -0.138  -5.301
   83   1HD1  LEU  14          HD11      LEU  14  12.547  -2.876  -4.970
   84   2HD1  LEU  14          HD13      LEU  14  11.016  -2.436  -4.215
   85   3HD1  LEU  14          HD12      LEU  14  11.169  -2.422  -5.972
   86   1HD2  LEU  14          HD23      LEU  14  13.409   0.218  -3.580
   87   2HD2  LEU  14          HD22      LEU  14  11.723   0.108  -3.073
   88   3HD2  LEU  14          HD21      LEU  14  12.758  -1.319  -3.013
   89    H    GLN  15           HN       GLN  15  10.283  -0.195  -6.865
   90    HA   GLN  15           HA       GLN  15   9.915  -2.874  -7.955
   91   1HB   GLN  15           HB2      GLN  15   8.550  -1.928  -6.055
   92   2HB   GLN  15           HB1      GLN  15   7.774  -0.859  -7.225
   93   1HG   GLN  15           HG2      GLN  15   6.795  -2.663  -8.404
   94   2HG   GLN  15           HG1      GLN  15   7.873  -3.843  -7.660
   95   1HE2  GLN  15          HE22      GLN  15   5.079  -4.525  -5.553
   96   2HE2  GLN  15          HE21      GLN  15   6.008  -5.083  -6.857
   97    H    ALA  16           HN       ALA  16   8.680   0.356  -8.908
   98    HA   ALA  16           HA       ALA  16   7.492  -0.417 -11.313
   99   1HB   ALA  16           HB1      ALA  16   8.663   2.136 -10.342
  100   2HB   ALA  16           HB3      ALA  16   8.207   2.012 -12.041
  101   3HB   ALA  16           HB2      ALA  16   6.994   1.777 -10.783
  102    H    SER  17           HN       SER  17  10.739  -0.321 -10.553
  103    HA   SER  17           HA       SER  17  11.702  -0.107 -13.309
  104   1HB   SER  17           HB2      SER  17  12.869   0.285 -10.831
  105   2HB   SER  17           HB1      SER  17  13.570  -1.243 -11.354
  106    HG   SER  17           HG       SER  17  14.812   0.003 -12.510
  107    H    ALA  18           HN       ALA  18   9.812  -2.334 -12.598
  108    HA   ALA  18           HA       ALA  18   9.584  -4.641 -12.959
  109   1HB   ALA  18           HB3      ALA  18  10.611  -3.683 -15.173
  110   2HB   ALA  18           HB2      ALA  18  12.070  -4.514 -14.635
  111   3HB   ALA  18           HB1      ALA  18  10.586  -5.427 -14.913
  112    H    THR  19           HN       THR  19  10.449  -4.578 -10.591
  113    HA   THR  19           HA       THR  19  13.036  -6.100 -10.516
  114    HB   THR  19           HB       THR  19  12.870  -3.796  -9.344
  115    HG1  THR  19           HG1      THR  19  13.577  -6.106  -7.860
  116   1HG2  THR  19          HG22      THR  19  10.568  -4.594  -8.338
  117   2HG2  THR  19          HG21      THR  19  11.590  -5.346  -7.113
  118   3HG2  THR  19          HG23      THR  19  11.652  -3.602  -7.364
  119    H    GLU  20           HN       GLU  20   9.731  -6.444 -10.203
  120    HA   GLU  20           HA       GLU  20  10.110  -8.935  -8.711
  121   1HB   GLU  20           HB2      GLU  20   9.432  -7.086  -7.125
  122   2HB   GLU  20           HB1      GLU  20   7.902  -7.047  -8.002
  123   1HG   GLU  20           HG2      GLU  20   7.205  -8.679  -6.624
  124   2HG   GLU  20           HG1      GLU  20   8.313  -9.750  -7.477
  125    H    TYR  21           HN       TYR  21   7.869  -6.945 -10.361
  126    HA   TYR  21           HA       TYR  21   7.148  -8.654 -12.434
  127   1HB   TYR  21           HB2      TYR  21   5.059  -9.728 -11.681
  128   2HB   TYR  21           HB1      TYR  21   6.400 -10.276 -10.688
  129    HD1  TYR  21           HD1      TYR  21   3.433  -8.073 -10.810
  130    HD2  TYR  21           HD2      TYR  21   6.567  -9.671  -8.346
  131    HE1  TYR  21           HE1      TYR  21   2.272  -7.237  -8.786
  132    HE2  TYR  21           HE2      TYR  21   5.394  -8.838  -6.326
  133    HH   TYR  21           HH       TYR  21   3.116  -6.565  -6.327
  134    H    ILE  22           HN       ILE  22   5.663  -6.573  -9.948
  135    HA   ILE  22           HA       ILE  22   3.866  -5.438 -11.931
  136    HB   ILE  22           HB       ILE  22   2.882  -5.546  -9.781
  137   1HG1  ILE  22          HG12      ILE  22   3.855  -2.747  -9.503
  138   2HG1  ILE  22          HG11      ILE  22   3.017  -3.158 -10.968
  139   1HG2  ILE  22          HG21      ILE  22   5.601  -4.941  -9.000
  140   2HG2  ILE  22          HG23      ILE  22   4.396  -4.072  -8.061
  141   3HG2  ILE  22          HG22      ILE  22   4.350  -5.828  -8.143
  142   1HD1  ILE  22          HD13      ILE  22   1.383  -4.365  -9.187
  143   2HD1  ILE  22          HD12      ILE  22   1.967  -3.016  -8.219
  144   3HD1  ILE  22          HD11      ILE  22   1.143  -2.715  -9.742
  145    H    GLY  23           HN       GLY  23   7.040  -5.071 -11.405
  146   1HA   GLY  23           HA2      GLY  23   7.421  -2.273 -11.341
  147   2HA   GLY  23           HA1      GLY  23   8.500  -3.412 -12.139
  148    H    TYR  24           HN       TYR  24   6.017  -4.335 -13.709
  149    HA   TYR  24           HA       TYR  24   6.459  -3.145 -16.121
  150   1HB   TYR  24           HB2      TYR  24   4.775  -4.526 -16.819
  151   2HB   TYR  24           HB1      TYR  24   4.725  -5.065 -15.175
  152    HD1  TYR  24           HD1      TYR  24   3.451  -1.842 -16.529
  153    HD2  TYR  24           HD2      TYR  24   2.493  -5.671 -14.921
  154    HE1  TYR  24           HE1      TYR  24   1.200  -1.164 -16.318
  155    HE2  TYR  24           HE2      TYR  24   0.129  -4.979 -14.713
  156    HH   TYR  24           HH       TYR  24  -1.381  -3.318 -15.739
  157    H    ALA  25           HN       ALA  25   4.875  -1.607 -13.388
  158    HA   ALA  25           HA       ALA  25   5.192   0.974 -13.602
  159   1HB   ALA  25           HB1      ALA  25   3.606   0.401 -16.118
  160   2HB   ALA  25           HB3      ALA  25   3.799   2.015 -15.436
  161   3HB   ALA  25           HB2      ALA  25   5.210   1.123 -16.004
  162    H    TRP  26           HN       TRP  26   3.702  -0.581 -11.906
  163    HA   TRP  26           HA       TRP  26   1.310   1.055 -11.504
  164   1HB   TRP  26           HB2      TRP  26  -0.097  -1.045 -11.307
  165   2HB   TRP  26           HB1      TRP  26   0.307  -0.529 -12.933
  166    HD1  TRP  26           HD1      TRP  26   3.032  -1.702 -13.416
  167    HE1  TRP  26           HE1      TRP  26   3.541  -4.167 -13.475
  168    HE3  TRP  26           HE3      TRP  26  -0.845  -3.395 -10.694
  169    HZ2  TRP  26           HZ2      TRP  26   2.416  -6.582 -12.605
  170    HZ3  TRP  26           HZ3      TRP  26  -1.151  -5.828 -10.316
  171    HH2  TRP  26           HH2      TRP  26   0.497  -7.433 -11.258
  172    H    ALA  27           HN       ALA  27   3.847   0.068 -10.216
  173    HA   ALA  27           HA       ALA  27   3.201  -1.663  -8.134
  174   1HB   ALA  27           HB2      ALA  27   5.528  -0.790  -8.869
  175   2HB   ALA  27           HB1      ALA  27   5.188   0.583  -7.816
  176   3HB   ALA  27           HB3      ALA  27   5.260  -1.045  -7.146
  177    H    MET  28           HN       MET  28   2.940   1.814  -8.463
  178    HA   MET  28           HA       MET  28   2.352   2.577  -5.888
  179   1HB   MET  28           HB2      MET  28   2.582   4.230  -7.634
  180   2HB   MET  28           HB1      MET  28   1.170   3.584  -8.472
  181   1HG   MET  28           HG2      MET  28  -0.154   4.944  -7.268
  182   2HG   MET  28           HG1      MET  28   0.386   4.145  -5.791
  183   1HE   MET  28           HE1      MET  28   0.370   6.656  -8.191
  184   2HE   MET  28           HE3      MET  28   0.661   8.108  -7.220
  185   3HE   MET  28           HE2      MET  28   1.953   7.430  -8.208
  186    H    VAL  29           HN       VAL  29   0.264   0.997  -8.237
  187    HA   VAL  29           HA       VAL  29  -2.236   1.343  -6.969
  188    HB   VAL  29           HB       VAL  29  -1.159  -1.007  -8.553
  189   1HG1  VAL  29          HG13      VAL  29  -3.871  -0.428  -7.383
  190   2HG1  VAL  29          HG12      VAL  29  -3.736  -1.328  -8.895
  191   3HG1  VAL  29          HG11      VAL  29  -2.983  -1.951  -7.426
  192   1HG2  VAL  29          HG21      VAL  29  -2.311   1.631  -9.185
  193   2HG2  VAL  29          HG23      VAL  29  -1.351   0.552 -10.198
  194   3HG2  VAL  29          HG22      VAL  29  -3.088   0.294 -10.035
  195    H    VAL  30           HN       VAL  30   0.239  -1.162  -6.400
  196    HA   VAL  30           HA       VAL  30  -1.324  -2.539  -4.396
  197    HB   VAL  30           HB       VAL  30   1.669  -2.540  -4.878
  198   1HG1  VAL  30          HG13      VAL  30  -0.118  -3.945  -2.976
  199   2HG1  VAL  30          HG12      VAL  30   1.041  -4.970  -3.823
  200   3HG1  VAL  30          HG11      VAL  30   1.609  -3.606  -2.859
  201   1HG2  VAL  30          HG23      VAL  30  -0.479  -3.511  -6.453
  202   2HG2  VAL  30          HG22      VAL  30   1.239  -3.849  -6.664
  203   3HG2  VAL  30          HG21      VAL  30   0.244  -4.921  -5.678
  204    H    VAL  31           HN       VAL  31   1.418  -0.250  -4.167
  205    HA   VAL  31           HA       VAL  31   1.714  -0.135  -1.402
  206    HB   VAL  31           HB       VAL  31   1.860   2.065  -3.475
  207   1HG1  VAL  31          HG12      VAL  31   2.194   2.165  -0.494
  208   2HG1  VAL  31          HG11      VAL  31   3.260   3.144  -1.501
  209   3HG1  VAL  31          HG13      VAL  31   1.513   3.375  -1.582
  210   1HG2  VAL  31          HG22      VAL  31   3.891   0.411  -1.947
  211   2HG2  VAL  31          HG21      VAL  31   3.573   0.366  -3.680
  212   3HG2  VAL  31          HG23      VAL  31   4.316   1.792  -2.957
  213    H    ILE  32           HN       ILE  32  -0.563   1.870  -3.326
  214    HA   ILE  32           HA       ILE  32  -1.783   3.047  -1.026
  215    HB   ILE  32           HB       ILE  32  -1.983   3.688  -3.508
  216   1HG1  ILE  32          HG12      ILE  32  -2.981   5.032  -1.799
  217   2HG1  ILE  32          HG11      ILE  32  -4.208   4.776  -3.040
  218   1HG2  ILE  32          HG21      ILE  32  -2.955   1.585  -4.305
  219   2HG2  ILE  32          HG23      ILE  32  -4.343   1.845  -3.250
  220   3HG2  ILE  32          HG22      ILE  32  -4.046   2.936  -4.603
  221   1HD1  ILE  32          HD13      ILE  32  -4.858   2.688  -1.611
  222   2HD1  ILE  32          HD12      ILE  32  -3.982   3.514  -0.322
  223   3HD1  ILE  32          HD11      ILE  32  -5.378   4.285  -1.074
  224    H    VAL  33           HN       VAL  33  -2.820   0.237  -3.010
  225    HA   VAL  33           HA       VAL  33  -5.155  -0.352  -1.590
  226    HB   VAL  33           HB       VAL  33  -3.046  -2.245  -2.684
  227   1HG1  VAL  33          HG13      VAL  33  -5.274  -2.800  -0.934
  228   2HG1  VAL  33          HG12      VAL  33  -5.559  -3.533  -2.512
  229   3HG1  VAL  33          HG11      VAL  33  -4.095  -3.923  -1.611
  230   1HG2  VAL  33          HG21      VAL  33  -5.215  -0.690  -3.810
  231   2HG2  VAL  33          HG23      VAL  33  -4.010  -1.672  -4.644
  232   3HG2  VAL  33          HG22      VAL  33  -5.504  -2.411  -4.068
  233    H    GLY  34           HN       GLY  34  -1.860  -0.496  -0.518
  234   1HA   GLY  34           HA2      GLY  34  -2.397  -2.139   1.830
  235   2HA   GLY  34           HA1      GLY  34  -1.002  -1.063   1.616
  236    H    ALA  35           HN       ALA  35  -2.079   1.326   1.143
  237    HA   ALA  35           HA       ALA  35  -2.932   2.279   3.699
  238   1HB   ALA  35           HB1      ALA  35  -2.287   3.388   1.109
  239   2HB   ALA  35           HB3      ALA  35  -3.741   4.155   1.750
  240   3HB   ALA  35           HB2      ALA  35  -2.248   4.171   2.689
  241    H    THR  36           HN       THR  36  -4.883   2.073   0.589
  242    HA   THR  36           HA       THR  36  -7.347   2.820   1.718
  243    HB   THR  36           HB       THR  36  -6.938   0.657  -0.371
  244    HG1  THR  36           HG1      THR  36  -7.374   3.418  -0.772
  245   1HG2  THR  36          HG22      THR  36  -9.243   1.054   0.740
  246   2HG2  THR  36          HG21      THR  36  -9.243   2.581  -0.142
  247   3HG2  THR  36          HG23      THR  36  -9.166   1.055  -1.022
  248    H    ILE  37           HN       ILE  37  -6.244  -0.549   1.258
  249    HA   ILE  37           HA       ILE  37  -8.314  -1.756   2.813
  250    HB   ILE  37           HB       ILE  37  -5.479  -2.722   2.390
  251   1HG1  ILE  37          HG12      ILE  37  -6.639  -2.179   0.273
  252   2HG1  ILE  37          HG11      ILE  37  -6.427  -3.921   0.450
  253   1HG2  ILE  37          HG22      ILE  37  -6.770  -3.915   4.163
  254   2HG2  ILE  37          HG21      ILE  37  -8.032  -4.254   2.978
  255   3HG2  ILE  37          HG23      ILE  37  -6.423  -4.946   2.775
  256   1HD1  ILE  37          HD12      ILE  37  -8.868  -3.345   1.719
  257   2HD1  ILE  37          HD11      ILE  37  -8.883  -2.398   0.231
  258   3HD1  ILE  37          HD13      ILE  37  -8.649  -4.145   0.162
  259    H    GLY  38           HN       GLY  38  -5.550   0.014   3.804
  260   1HA   GLY  38           HA2      GLY  38  -5.304  -1.194   6.448
  261   2HA   GLY  38           HA1      GLY  38  -4.483   0.269   5.901
  262    H    ILE  39           HN       ILE  39  -5.939   2.215   5.638
  263    HA   ILE  39           HA       ILE  39  -7.336   2.740   8.056
  264    HB   ILE  39           HB       ILE  39  -6.380   4.504   6.581
  265   1HG1  ILE  39          HG12      ILE  39  -9.343   5.004   6.687
  266   2HG1  ILE  39          HG11      ILE  39  -8.454   4.767   8.192
  267   1HG2  ILE  39          HG21      ILE  39  -8.456   3.383   4.732
  268   2HG2  ILE  39          HG23      ILE  39  -8.086   5.106   4.641
  269   3HG2  ILE  39          HG22      ILE  39  -6.812   3.915   4.377
  270   1HD1  ILE  39          HD12      ILE  39  -7.596   6.751   6.074
  271   2HD1  ILE  39          HD11      ILE  39  -8.647   7.182   7.423
  272   3HD1  ILE  39          HD13      ILE  39  -7.003   6.621   7.731
  273    H    LYS  40           HN       LYS  40  -8.235   0.957   5.271
  274    HA   LYS  40           HA       LYS  40 -11.107   1.514   5.453
  275   1HB   LYS  40           HB2      LYS  40 -10.164   0.766   3.328
  276   2HB   LYS  40           HB1      LYS  40  -9.587  -0.723   4.076
  277   1HG   LYS  40           HG2      LYS  40 -11.564  -1.602   3.383
  278   2HG   LYS  40           HG1      LYS  40 -12.251  -0.739   4.760
  279   1HD   LYS  40           HD2      LYS  40 -13.582  -0.004   2.966
  280   2HD   LYS  40           HD1      LYS  40 -12.391   1.287   3.131
  281   1HE   LYS  40           HE2      LYS  40 -11.839   0.957   0.973
  282   2HE   LYS  40           HE1      LYS  40 -11.194  -0.617   1.440
  283   1HZ   LYS  40           HZ2      LYS  40 -13.844  -1.083   1.338
  284   2HZ   LYS  40           HZ1      LYS  40 -13.646   0.033   0.072
  285   3HZ   LYS  40           HZ3      LYS  40 -12.755  -1.409   0.075
  286    H    LEU  41           HN       LEU  41  -9.486  -1.656   5.845
  287    HA   LEU  41           HA       LEU  41 -11.552  -2.765   7.453
  288   1HB   LEU  41           HB2      LEU  41  -8.725  -3.455   6.838
  289   2HB   LEU  41           HB1      LEU  41  -9.419  -4.195   8.281
  290    HG   LEU  41           HG       LEU  41  -9.807  -5.638   6.337
  291   1HD1  LEU  41          HD11      LEU  41 -11.747  -4.713   8.125
  292   2HD1  LEU  41          HD13      LEU  41 -12.543  -4.654   6.552
  293   3HD1  LEU  41          HD12      LEU  41 -11.852  -6.169   7.135
  294   1HD2  LEU  41          HD23      LEU  41  -9.857  -3.448   4.829
  295   2HD2  LEU  41          HD22      LEU  41 -10.728  -4.901   4.338
  296   3HD2  LEU  41          HD21      LEU  41 -11.594  -3.571   5.107
  297    H    PHE  42           HN       PHE  42  -8.965  -0.600   8.286
  298    HA   PHE  42           HA       PHE  42  -9.056  -1.195  11.146
  299   1HB   PHE  42           HB2      PHE  42  -7.119  -0.130   9.675
  300   2HB   PHE  42           HB1      PHE  42  -7.939   1.374  10.091
  301    HD1  PHE  42           HD2      PHE  42  -8.363   1.911  12.534
  302    HD2  PHE  42           HD1      PHE  42  -5.787  -1.287  11.273
  303    HE1  PHE  42           HE2      PHE  42  -7.328   1.857  14.786
  304    HE2  PHE  42           HE1      PHE  42  -4.752  -1.340  13.527
  305    HZ   PHE  42           HZ       PHE  42  -5.523   0.232  15.283
  306    H    LYS  43           HN       LYS  43  -9.914   1.745   9.260
  307    HA   LYS  43           HA       LYS  43 -11.485   2.756  11.511
  308   1HB   LYS  43           HB2      LYS  43 -10.615   3.756   8.872
  309   2HB   LYS  43           HB1      LYS  43 -12.183   4.353   9.410
  310   1HG   LYS  43           HG2      LYS  43 -10.459   5.861  10.223
  311   2HG   LYS  43           HG1      LYS  43 -11.132   4.982  11.596
  312   1HD   LYS  43           HD2      LYS  43  -9.254   3.462  11.634
  313   2HD   LYS  43           HD1      LYS  43  -8.625   4.127  10.126
  314   1HE   LYS  43           HE2      LYS  43  -8.602   6.394  11.417
  315   2HE   LYS  43           HE1      LYS  43  -8.681   5.383  12.859
  316   1HZ   LYS  43           HZ2      LYS  43  -6.645   5.138  10.711
  317   2HZ   LYS  43           HZ1      LYS  43  -6.396   5.892  12.213
  318   3HZ   LYS  43           HZ3      LYS  43  -6.706   4.228  12.144
  319    H    LYS  44           HN       LYS  44 -12.166   0.265   9.601
  320    HA   LYS  44           HA       LYS  44 -14.824   0.948   8.627
  321   1HB   LYS  44           HB2      LYS  44 -13.533  -0.849   7.587
  322   2HB   LYS  44           HB1      LYS  44 -13.490  -1.727   9.112
  323   1HG   LYS  44           HG2      LYS  44 -16.010  -1.777   9.062
  324   2HG   LYS  44           HG1      LYS  44 -15.934  -1.101   7.436
  325   1HD   LYS  44           HD2      LYS  44 -14.116  -3.279   7.502
  326   2HD   LYS  44           HD1      LYS  44 -15.612  -3.839   8.250
  327   1HE   LYS  44           HE2      LYS  44 -16.735  -3.794   6.286
  328   2HE   LYS  44           HE1      LYS  44 -16.072  -2.218   5.853
  329   1HZ   LYS  44           HZ2      LYS  44 -14.440  -4.682   5.730
  330   2HZ   LYS  44           HZ1      LYS  44 -15.407  -4.185   4.423
  331   3HZ   LYS  44           HZ3      LYS  44 -14.155  -3.185   4.977
  332    H    PHE  45           HN       PHE  45 -13.501   0.138  11.638
  333    HA   PHE  45           HA       PHE  45 -15.567  -1.315  12.912
  334   1HB   PHE  45           HB2      PHE  45 -13.168  -0.062  13.690
  335   2HB   PHE  45           HB1      PHE  45 -14.423   0.671  14.688
  336    HD1  PHE  45           HD1      PHE  45 -13.703  -2.760  13.326
  337    HD2  PHE  45           HD2      PHE  45 -14.731  -0.367  16.742
  338    HE1  PHE  45           HE1      PHE  45 -13.773  -4.801  14.736
  339    HE2  PHE  45           HE2      PHE  45 -14.802  -2.407  18.151
  340    HZ   PHE  45           HZ       PHE  45 -14.323  -4.624  17.148
  341    H    THR  46           HN       THR  46 -15.211   2.155  12.357
  342    HA   THR  46           HA       THR  46 -17.831   2.821  12.128
  343    HB   THR  46           HB       THR  46 -17.920   3.844  14.667
  344    HG1  THR  46           HG1      THR  46 -16.294   2.745  15.547
  345   1HG2  THR  46          HG23      THR  46 -19.103   1.510  13.270
  346   2HG2  THR  46          HG22      THR  46 -19.274   1.530  15.026
  347   3HG2  THR  46          HG21      THR  46 -19.897   2.871  14.063
  348    H    SER  47           HN       SER  47 -15.329   3.702  11.229
  349    HA   SER  47           HA       SER  47 -15.027   6.398  12.462
  350   1HB   SER  47           HB2      SER  47 -12.854   5.726  12.275
  351   2HB   SER  47           HB1      SER  47 -13.225   4.532  11.035
  352    HG   SER  47           HG       SER  47 -13.189   7.346  10.626
  353    H    LYS  48           HN       LYS  48 -14.401   5.379   9.112
  354    HA   LYS  48           HA       LYS  48 -15.671   7.787   8.101
  355   1HB   LYS  48           HB2      LYS  48 -15.290   6.678   5.844
  356   2HB   LYS  48           HB1      LYS  48 -13.835   6.905   6.813
  357   1HG   LYS  48           HG2      LYS  48 -13.441   4.699   6.563
  358   2HG   LYS  48           HG1      LYS  48 -14.828   4.408   7.607
  359   1HD   LYS  48           HD2      LYS  48 -16.304   4.142   5.774
  360   2HD   LYS  48           HD1      LYS  48 -15.172   4.891   4.650
  361   1HE   LYS  48           HE2      LYS  48 -13.901   2.635   5.903
  362   2HE   LYS  48           HE1      LYS  48 -15.451   2.129   5.231
  363   1HZ   LYS  48           HZ2      LYS  48 -14.597   3.592   3.232
  364   2HZ   LYS  48           HZ1      LYS  48 -13.083   3.166   3.873
  365   3HZ   LYS  48           HZ3      LYS  48 -14.166   1.956   3.388
  366    H    ALA  49           HN       ALA  49 -16.545   4.347   8.248
  367    HA   ALA  49           HA       ALA  49 -19.241   4.570   8.648
  368   1HB   ALA  49           HB1      ALA  49 -18.511   5.383   5.913
  369   2HB   ALA  49           HB3      ALA  49 -19.807   4.190   5.997
  370   3HB   ALA  49           HB2      ALA  49 -19.971   5.730   6.840
  371    H    SER  50           HN       SER  50 -17.003   2.649   8.870
  372    HA   SER  50           HA       SER  50 -16.570   0.359   8.503
  373   1HB   SER  50           HB2      SER  50 -19.165  -0.664   8.221
  374   2HB   SER  50           HB1      SER  50 -18.251  -0.516   9.719
  375    HG   SER  50           HG       SER  50 -19.197   1.437  10.093
   
  No H/Q in entry =         375
  Start of MODEL   18
    1   1H    ALA   1           HT1      ALA   1  16.212  10.648   5.960
    2   2H    ALA   1           HT3      ALA   1  17.192  11.941   5.467
    3   3H    ALA   1           HT2      ALA   1  17.553  10.361   4.955
    4    HA   ALA   1           HA       ALA   1  18.669   9.875   6.803
    5   1HB   ALA   1           HB1      ALA   1  18.358  12.870   6.918
    6   2HB   ALA   1           HB3      ALA   1  19.258  12.019   8.173
    7   3HB   ALA   1           HB2      ALA   1  19.783  11.922   6.493
    8    H    GLU   2           HN       GLU   2  18.284   9.052   8.837
    9    HA   GLU   2           HA       GLU   2  16.957   8.425  10.678
   10   1HB   GLU   2           HB2      GLU   2  17.806  11.022  10.978
   11   2HB   GLU   2           HB1      GLU   2  16.061  11.189  11.179
   12   1HG   GLU   2           HG2      GLU   2  17.130  10.734  13.346
   13   2HG   GLU   2           HG1      GLU   2  16.095   9.386  12.876
   14    H    GLY   3           HN       GLY   3  15.587   8.343   8.148
   15   1HA   GLY   3           HA2      GLY   3  12.816   8.607   9.153
   16   2HA   GLY   3           HA1      GLY   3  13.206   9.497   7.680
   17    H    ASP   4           HN       ASP   4  14.704   7.865   6.197
   18    HA   ASP   4           HA       ASP   4  12.833   5.697   5.523
   19   1HB   ASP   4           HB2      ASP   4  15.405   6.638   4.217
   20   2HB   ASP   4           HB1      ASP   4  14.360   5.374   3.568
   21    H    ASP   5           HN       ASP   5  13.867   3.503   4.946
   22    HA   ASP   5           HA       ASP   5  16.189   2.827   6.666
   23   1HB   ASP   5           HB2      ASP   5  14.689   0.708   7.304
   24   2HB   ASP   5           HB1      ASP   5  14.635   2.190   8.258
   25    HA   PRO   6           HA       PRO   6  17.069   0.027   3.407
   26   1HB   PRO   6           HB2      PRO   6  18.384  -1.967   4.764
   27   2HB   PRO   6           HB1      PRO   6  19.090  -0.373   4.438
   28   1HG   PRO   6           HG2      PRO   6  18.039  -1.462   7.013
   29   2HG   PRO   6           HG1      PRO   6  19.239  -0.186   6.743
   30   1HD   PRO   6           HD2      PRO   6  16.500   0.202   7.428
   31   2HD   PRO   6           HD1      PRO   6  17.641   1.456   6.898
   32    H    ALA   7           HN       ALA   7  14.374  -0.353   4.302
   33    HA   ALA   7           HA       ALA   7  14.094  -3.257   3.786
   34   1HB   ALA   7           HB3      ALA   7  12.936  -1.771   6.151
   35   2HB   ALA   7           HB2      ALA   7  12.258  -3.293   5.573
   36   3HB   ALA   7           HB1      ALA   7  13.918  -3.236   6.166
   37    H    LYS   8           HN       LYS   8  11.602  -1.007   4.885
   38    HA   LYS   8           HA       LYS   8   9.825  -1.605   2.748
   39   1HB   LYS   8           HB2      LYS   8   8.757  -0.641   4.592
   40   2HB   LYS   8           HB1      LYS   8  10.008   0.582   4.806
   41   1HG   LYS   8           HG2      LYS   8   8.460   0.679   2.258
   42   2HG   LYS   8           HG1      LYS   8   7.609   1.160   3.728
   43   1HD   LYS   8           HD2      LYS   8  10.361   2.243   3.218
   44   2HD   LYS   8           HD1      LYS   8   8.988   2.949   2.365
   45   1HE   LYS   8           HE2      LYS   8   8.315   4.044   4.214
   46   2HE   LYS   8           HE1      LYS   8   8.367   2.563   5.171
   47   1HZ   LYS   8           HZ2      LYS   8  10.964   3.067   4.888
   48   2HZ   LYS   8           HZ1      LYS   8  10.358   4.654   4.880
   49   3HZ   LYS   8           HZ3      LYS   8  10.039   3.634   6.196
   50    H    ALA   9           HN       ALA   9  12.411   0.765   3.019
   51    HA   ALA   9           HA       ALA   9  11.750   2.532   0.933
   52   1HB   ALA   9           HB2      ALA   9  14.457   1.465   1.776
   53   2HB   ALA   9           HB1      ALA   9  14.239   2.808   0.655
   54   3HB   ALA   9           HB3      ALA   9  13.683   2.952   2.322
   55    H    ALA  10           HN       ALA  10  14.364   0.219   0.307
   56    HA   ALA  10           HA       ALA  10  14.025   0.131  -2.464
   57   1HB   ALA  10           HB3      ALA  10  15.103  -1.902  -0.521
   58   2HB   ALA  10           HB2      ALA  10  15.057  -2.230  -2.253
   59   3HB   ALA  10           HB1      ALA  10  15.993  -0.868  -1.638
   60    H    PHE  11           HN       PHE  11  12.237  -1.639   0.010
   61    HA   PHE  11           HA       PHE  11  11.072  -3.676  -1.474
   62   1HB   PHE  11           HB2      PHE  11  10.560  -2.588   0.985
   63   2HB   PHE  11           HB1      PHE  11   9.107  -2.127   0.095
   64    HD1  PHE  11           HD1      PHE  11  11.381  -5.106   0.300
   65    HD2  PHE  11           HD2      PHE  11   7.347  -3.639   0.208
   66    HE1  PHE  11           HE1      PHE  11  10.535  -7.429   0.467
   67    HE2  PHE  11           HE2      PHE  11   6.498  -5.963   0.377
   68    HZ   PHE  11           HZ       PHE  11   8.092  -7.859   0.507
   69    H    ASP  12           HN       ASP  12   9.851  -0.318  -1.268
   70    HA   ASP  12           HA       ASP  12   7.886  -0.702  -3.339
   71   1HB   ASP  12           HB2      ASP  12   7.545   1.660  -3.229
   72   2HB   ASP  12           HB1      ASP  12   7.945   1.162  -1.586
   73    H    SER  13           HN       SER  13  11.237   0.519  -3.338
   74    HA   SER  13           HA       SER  13  11.289   1.307  -6.103
   75   1HB   SER  13           HB2      SER  13  13.187   1.020  -3.937
   76   2HB   SER  13           HB1      SER  13  13.871   0.393  -5.433
   77    HG   SER  13           HG       SER  13  12.619   2.928  -5.096
   78    H    LEU  14           HN       LEU  14  13.144  -1.472  -4.845
   79    HA   LEU  14           HA       LEU  14  13.544  -2.913  -7.134
   80   1HB   LEU  14           HB2      LEU  14  13.566  -4.947  -5.795
   81   2HB   LEU  14           HB1      LEU  14  14.230  -3.629  -4.827
   82    HG   LEU  14           HG       LEU  14  11.660  -3.355  -4.134
   83   1HD1  LEU  14          HD13      LEU  14  11.736  -5.828  -5.588
   84   2HD1  LEU  14          HD12      LEU  14  11.393  -6.179  -3.894
   85   3HD1  LEU  14          HD11      LEU  14  10.359  -5.067  -4.793
   86   1HD2  LEU  14          HD21      LEU  14  13.973  -4.793  -3.060
   87   2HD2  LEU  14          HD23      LEU  14  12.838  -3.726  -2.235
   88   3HD2  LEU  14          HD22      LEU  14  12.445  -5.431  -2.455
   89    H    GLN  15           HN       GLN  15  10.468  -2.605  -5.421
   90    HA   GLN  15           HA       GLN  15   9.031  -4.643  -6.779
   91   1HB   GLN  15           HB2      GLN  15   8.426  -2.428  -5.038
   92   2HB   GLN  15           HB1      GLN  15   7.282  -2.447  -6.381
   93   1HG   GLN  15           HG2      GLN  15   7.908  -5.070  -5.117
   94   2HG   GLN  15           HG1      GLN  15   6.927  -3.946  -4.176
   95   1HE2  GLN  15          HE22      GLN  15   4.274  -5.527  -6.024
   96   2HE2  GLN  15          HE21      GLN  15   5.133  -5.596  -4.560
   97    H    ALA  16           HN       ALA  16   9.055  -1.127  -7.469
   98    HA   ALA  16           HA       ALA  16   7.769  -1.284  -9.950
   99   1HB   ALA  16           HB1      ALA  16   8.683   0.760  -8.453
  100   2HB   ALA  16           HB3      ALA  16   9.899   0.739  -9.731
  101   3HB   ALA  16           HB2      ALA  16   8.196   0.950 -10.137
  102    H    SER  17           HN       SER  17  10.830  -2.310  -9.120
  103    HA   SER  17           HA       SER  17  11.992  -2.117 -11.800
  104   1HB   SER  17           HB2      SER  17  13.144  -2.286  -9.378
  105   2HB   SER  17           HB1      SER  17  13.127  -3.999  -9.785
  106    HG   SER  17           HG       SER  17  13.981  -2.106 -11.681
  107    H    ALA  18           HN       ALA  18   9.458  -3.556 -11.704
  108    HA   ALA  18           HA       ALA  18   8.489  -5.613 -12.292
  109   1HB   ALA  18           HB2      ALA  18  10.921  -5.239 -13.982
  110   2HB   ALA  18           HB1      ALA  18  10.127  -6.813 -14.028
  111   3HB   ALA  18           HB3      ALA  18   9.228  -5.359 -14.462
  112    H    THR  19           HN       THR  19   9.185  -6.081  -9.909
  113    HA   THR  19           HA       THR  19  11.146  -8.345  -9.898
  114    HB   THR  19           HB       THR  19  11.400  -6.297  -8.327
  115    HG1  THR  19           HG1      THR  19  11.232  -8.735  -6.944
  116   1HG2  THR  19          HG23      THR  19   8.881  -6.473  -7.725
  117   2HG2  THR  19          HG22      THR  19   9.378  -7.785  -6.656
  118   3HG2  THR  19          HG21      THR  19  10.021  -6.162  -6.416
  119    H    GLU  20           HN       GLU  20   8.008  -8.043 -10.408
  120    HA   GLU  20           HA       GLU  20   7.385 -10.639  -9.328
  121   1HB   GLU  20           HB2      GLU  20   7.078  -8.904  -7.433
  122   2HB   GLU  20           HB1      GLU  20   5.635  -8.447  -8.339
  123   1HG   GLU  20           HG2      GLU  20   4.960 -10.082  -6.727
  124   2HG   GLU  20           HG1      GLU  20   4.966 -10.877  -8.300
  125    H    TYR  21           HN       TYR  21   5.827  -7.761 -10.332
  126    HA   TYR  21           HA       TYR  21   4.990  -8.599 -12.877
  127   1HB   TYR  21           HB2      TYR  21   2.645  -9.218 -12.529
  128   2HB   TYR  21           HB1      TYR  21   3.684 -10.324 -11.634
  129    HD1  TYR  21           HD1      TYR  21   1.657  -7.205 -11.266
  130    HD2  TYR  21           HD2      TYR  21   3.450 -10.576  -9.308
  131    HE1  TYR  21           HE1      TYR  21   0.510  -6.590  -9.158
  132    HE2  TYR  21           HE2      TYR  21   2.307  -9.962  -7.200
  133    HH   TYR  21           HH       TYR  21   0.060  -7.203  -7.065
  134    H    ILE  22           HN       ILE  22   4.165  -6.757  -9.965
  135    HA   ILE  22           HA       ILE  22   2.862  -4.738 -11.646
  136    HB   ILE  22           HB       ILE  22   1.639  -5.001  -9.649
  137   1HG1  ILE  22          HG12      ILE  22   3.408  -2.839  -8.594
  138   2HG1  ILE  22          HG11      ILE  22   2.630  -2.579 -10.124
  139   1HG2  ILE  22          HG22      ILE  22   4.350  -5.189  -8.446
  140   2HG2  ILE  22          HG21      ILE  22   2.946  -4.805  -7.452
  141   3HG2  ILE  22          HG23      ILE  22   3.003  -6.316  -8.346
  142   1HD1  ILE  22          HD11      ILE  22   0.541  -3.586  -8.738
  143   2HD1  ILE  22          HD13      ILE  22   1.423  -2.771  -7.450
  144   3HD1  ILE  22          HD12      ILE  22   0.879  -1.864  -8.857
  145    H    GLY  23           HN       GLY  23   5.943  -5.489 -10.866
  146   1HA   GLY  23           HA2      GLY  23   7.076  -3.007 -10.117
  147   2HA   GLY  23           HA1      GLY  23   7.889  -4.208 -11.129
  148    H    TYR  24           HN       TYR  24   5.436  -4.012 -12.987
  149    HA   TYR  24           HA       TYR  24   6.402  -2.506 -15.035
  150   1HB   TYR  24           HB2      TYR  24   4.462  -3.125 -16.075
  151   2HB   TYR  24           HB1      TYR  24   4.098  -3.956 -14.602
  152    HD1  TYR  24           HD1      TYR  24   3.964  -0.283 -15.227
  153    HD2  TYR  24           HD2      TYR  24   1.771  -3.876 -14.544
  154    HE1  TYR  24           HE1      TYR  24   1.999   0.994 -14.935
  155    HE2  TYR  24           HE2      TYR  24  -0.294  -2.550 -14.255
  156    HH   TYR  24           HH       TYR  24  -0.197   1.017 -14.518
  157    H    ALA  25           HN       ALA  25   5.048  -1.182 -12.071
  158    HA   ALA  25           HA       ALA  25   6.123   1.170 -11.677
  159   1HB   ALA  25           HB1      ALA  25   4.715   1.606 -14.318
  160   2HB   ALA  25           HB3      ALA  25   5.209   2.935 -13.270
  161   3HB   ALA  25           HB2      ALA  25   6.422   1.850 -13.949
  162    H    TRP  26           HN       TRP  26   4.133  -0.151 -10.376
  163    HA   TRP  26           HA       TRP  26   2.270   1.990  -9.710
  164   1HB   TRP  26           HB2      TRP  26   0.310   0.422 -10.031
  165   2HB   TRP  26           HB1      TRP  26   0.998   1.120 -11.482
  166    HD1  TRP  26           HD1      TRP  26   3.302  -0.706 -12.127
  167    HE1  TRP  26           HE1      TRP  26   3.071  -3.127 -12.765
  168    HE3  TRP  26           HE3      TRP  26  -1.162  -1.657 -10.027
  169    HZ2  TRP  26           HZ2      TRP  26   1.203  -5.202 -12.534
  170    HZ3  TRP  26           HZ3      TRP  26  -2.206  -3.896 -10.255
  171    HH2  TRP  26           HH2      TRP  26  -1.013  -5.686 -11.498
  172    H    ALA  27           HN       ALA  27   4.279   0.047  -8.570
  173    HA   ALA  27           HA       ALA  27   2.880  -1.757  -6.943
  174   1HB   ALA  27           HB1      ALA  27   5.612  -0.504  -6.796
  175   2HB   ALA  27           HB3      ALA  27   5.021  -1.473  -5.446
  176   3HB   ALA  27           HB2      ALA  27   5.183  -2.196  -7.046
  177    H    MET  28           HN       MET  28   3.963   1.558  -6.456
  178    HA   MET  28           HA       MET  28   3.199   1.907  -3.812
  179   1HB   MET  28           HB2      MET  28   2.926   4.044  -5.911
  180   2HB   MET  28           HB1      MET  28   3.340   4.245  -4.208
  181   1HG   MET  28           HG2      MET  28   5.499   4.231  -4.881
  182   2HG   MET  28           HG1      MET  28   5.289   2.498  -5.129
  183   1HE   MET  28           HE1      MET  28   3.971   5.726  -6.726
  184   2HE   MET  28           HE3      MET  28   5.722   5.991  -6.738
  185   3HE   MET  28           HE2      MET  28   4.841   5.827  -8.255
  186    H    VAL  29           HN       VAL  29   1.317   1.855  -6.745
  187    HA   VAL  29           HA       VAL  29  -1.056   3.115  -5.886
  188    HB   VAL  29           HB       VAL  29  -0.655   0.749  -7.737
  189   1HG1  VAL  29          HG12      VAL  29  -2.967   0.812  -6.856
  190   2HG1  VAL  29          HG11      VAL  29  -3.102   2.501  -7.345
  191   3HG1  VAL  29          HG13      VAL  29  -2.921   1.241  -8.566
  192   1HG2  VAL  29          HG22      VAL  29  -0.121   3.540  -7.957
  193   2HG2  VAL  29          HG21      VAL  29  -0.002   2.314  -9.220
  194   3HG2  VAL  29          HG23      VAL  29  -1.513   3.191  -8.982
  195    H    VAL  30           HN       VAL  30  -0.128  -0.330  -5.585
  196    HA   VAL  30           HA       VAL  30  -2.522  -1.058  -4.162
  197    HB   VAL  30           HB       VAL  30  -0.803  -2.591  -5.375
  198   1HG1  VAL  30          HG11      VAL  30   1.003  -1.602  -3.672
  199   2HG1  VAL  30          HG13      VAL  30   0.428  -2.933  -2.671
  200   3HG1  VAL  30          HG12      VAL  30   1.112  -3.257  -4.264
  201   1HG2  VAL  30          HG21      VAL  30  -1.922  -3.295  -2.644
  202   2HG2  VAL  30          HG23      VAL  30  -2.769  -3.435  -4.184
  203   3HG2  VAL  30          HG22      VAL  30  -1.381  -4.469  -3.843
  204    H    VAL  31           HN       VAL  31   0.649   0.145  -3.157
  205    HA   VAL  31           HA       VAL  31   0.483  -0.417  -0.380
  206    HB   VAL  31           HB       VAL  31   1.692   1.979  -1.793
  207   1HG1  VAL  31          HG13      VAL  31   1.201   1.690   0.928
  208   2HG1  VAL  31          HG12      VAL  31   2.865   1.134   0.752
  209   3HG1  VAL  31          HG11      VAL  31   2.413   2.750   0.209
  210   1HG2  VAL  31          HG23      VAL  31   2.848  -0.663  -0.840
  211   2HG2  VAL  31          HG22      VAL  31   2.646  -0.156  -2.517
  212   3HG2  VAL  31          HG21      VAL  31   3.803   0.676  -1.477
  213    H    ILE  32           HN       ILE  32  -0.415   2.671  -1.994
  214    HA   ILE  32           HA       ILE  32  -1.668   3.774   0.299
  215    HB   ILE  32           HB       ILE  32  -1.104   5.137  -1.548
  216   1HG1  ILE  32          HG12      ILE  32  -3.969   5.444  -1.900
  217   2HG1  ILE  32          HG11      ILE  32  -3.514   5.228  -0.209
  218   1HG2  ILE  32          HG23      ILE  32  -1.722   3.205  -3.207
  219   2HG2  ILE  32          HG22      ILE  32  -3.287   4.016  -3.230
  220   3HG2  ILE  32          HG21      ILE  32  -1.836   4.883  -3.736
  221   1HD1  ILE  32          HD11      ILE  32  -1.635   7.017  -1.416
  222   2HD1  ILE  32          HD13      ILE  32  -3.260   7.579  -1.805
  223   3HD1  ILE  32          HD12      ILE  32  -2.786   7.353  -0.122
  224    H    VAL  33           HN       VAL  33  -3.133   2.077  -2.499
  225    HA   VAL  33           HA       VAL  33  -5.781   2.222  -1.627
  226    HB   VAL  33           HB       VAL  33  -4.439  -0.237  -2.821
  227   1HG1  VAL  33          HG13      VAL  33  -6.760  -0.504  -1.844
  228   2HG1  VAL  33          HG12      VAL  33  -7.318   0.685  -3.020
  229   3HG1  VAL  33          HG11      VAL  33  -6.646  -0.850  -3.569
  230   1HG2  VAL  33          HG22      VAL  33  -4.401   2.227  -3.933
  231   2HG2  VAL  33          HG21      VAL  33  -4.549   0.754  -4.892
  232   3HG2  VAL  33          HG23      VAL  33  -5.988   1.687  -4.482
  233    H    GLY  34           HN       GLY  34  -3.102   0.530  -0.241
  234   1HA   GLY  34           HA2      GLY  34  -4.671  -1.283   1.398
  235   2HA   GLY  34           HA1      GLY  34  -3.002  -0.778   1.724
  236    H    ALA  35           HN       ALA  35  -3.128   1.876   1.904
  237    HA   ALA  35           HA       ALA  35  -4.260   2.366   4.495
  238   1HB   ALA  35           HB1      ALA  35  -2.354   3.596   3.078
  239   2HB   ALA  35           HB3      ALA  35  -3.704   4.652   2.658
  240   3HB   ALA  35           HB2      ALA  35  -3.248   4.432   4.348
  241    H    THR  36           HN       THR  36  -5.291   3.693   1.245
  242    HA   THR  36           HA       THR  36  -7.580   5.054   2.161
  243    HB   THR  36           HB       THR  36  -7.755   3.531  -0.409
  244    HG1  THR  36           HG1      THR  36  -5.888   4.223  -1.018
  245   1HG2  THR  36          HG22      THR  36  -8.270   6.387   0.456
  246   2HG2  THR  36          HG21      THR  36  -8.489   5.794  -1.191
  247   3HG2  THR  36          HG23      THR  36  -9.483   5.152   0.117
  248    H    ILE  37           HN       ILE  37  -7.621   1.812   0.676
  249    HA   ILE  37           HA       ILE  37 -10.274   1.161   1.461
  250    HB   ILE  37           HB       ILE  37  -7.955  -0.746   1.110
  251   1HG1  ILE  37          HG12      ILE  37  -8.039   0.700  -0.825
  252   2HG1  ILE  37          HG11      ILE  37  -8.803  -0.824  -1.279
  253   1HG2  ILE  37          HG21      ILE  37 -10.159  -1.596   2.068
  254   2HG2  ILE  37          HG23      ILE  37 -10.903  -1.150   0.532
  255   3HG2  ILE  37          HG22      ILE  37  -9.637  -2.377   0.576
  256   1HD1  ILE  37          HD13      ILE  37 -10.908   0.642  -0.225
  257   2HD1  ILE  37          HD12      ILE  37  -9.969   1.856  -1.094
  258   3HD1  ILE  37          HD11      ILE  37 -10.566   0.429  -1.942
  259    H    GLY  38           HN       GLY  38  -7.433   1.391   3.311
  260   1HA   GLY  38           HA2      GLY  38  -8.059  -0.521   5.377
  261   2HA   GLY  38           HA1      GLY  38  -6.913   0.816   5.531
  262    H    ILE  39           HN       ILE  39  -8.032   3.044   5.565
  263    HA   ILE  39           HA       ILE  39  -9.875   3.080   7.773
  264    HB   ILE  39           HB       ILE  39  -8.284   4.936   7.226
  265   1HG1  ILE  39          HG12      ILE  39 -10.953   6.225   7.001
  266   2HG1  ILE  39          HG11      ILE  39 -10.753   5.095   8.342
  267   1HG2  ILE  39          HG21      ILE  39 -10.022   5.021   4.787
  268   2HG2  ILE  39          HG23      ILE  39  -9.358   6.532   5.405
  269   3HG2  ILE  39          HG22      ILE  39  -8.278   5.224   4.924
  270   1HD1  ILE  39          HD12      ILE  39  -8.485   6.943   7.946
  271   2HD1  ILE  39          HD11      ILE  39  -9.993   7.722   8.428
  272   3HD1  ILE  39          HD13      ILE  39  -9.292   6.455   9.436
  273    H    LYS  40           HN       LYS  40 -10.255   2.407   4.463
  274    HA   LYS  40           HA       LYS  40 -12.885   3.609   4.095
  275   1HB   LYS  40           HB2      LYS  40 -11.248   2.793   2.276
  276   2HB   LYS  40           HB1      LYS  40 -11.847   1.173   2.638
  277   1HG   LYS  40           HG2      LYS  40 -14.089   2.945   2.386
  278   2HG   LYS  40           HG1      LYS  40 -13.051   3.141   0.974
  279   1HD   LYS  40           HD2      LYS  40 -13.926   1.239   0.149
  280   2HD   LYS  40           HD1      LYS  40 -13.134   0.370   1.465
  281   1HE   LYS  40           HE2      LYS  40 -15.125   0.884   2.912
  282   2HE   LYS  40           HE1      LYS  40 -15.922   1.555   1.489
  283   1HZ   LYS  40           HZ1      LYS  40 -15.515  -0.629   0.393
  284   2HZ   LYS  40           HZ3      LYS  40 -15.006  -1.236   1.892
  285   3HZ   LYS  40           HZ2      LYS  40 -16.603  -0.689   1.696
  286    H    LEU  41           HN       LEU  41 -11.969   0.151   4.365
  287    HA   LEU  41           HA       LEU  41 -14.625  -0.714   5.001
  288   1HB   LEU  41           HB2      LEU  41 -12.659  -2.142   4.174
  289   2HB   LEU  41           HB1      LEU  41 -12.091  -2.134   5.844
  290    HG   LEU  41           HG       LEU  41 -14.953  -2.796   5.498
  291   1HD1  LEU  41          HD11      LEU  41 -13.191  -3.987   3.712
  292   2HD1  LEU  41          HD13      LEU  41 -13.273  -5.149   5.037
  293   3HD1  LEU  41          HD12      LEU  41 -14.748  -4.646   4.213
  294   1HD2  LEU  41          HD22      LEU  41 -12.632  -4.009   7.034
  295   2HD2  LEU  41          HD21      LEU  41 -13.831  -2.887   7.676
  296   3HD2  LEU  41          HD23      LEU  41 -14.315  -4.512   7.189
  297    H    PHE  42           HN       PHE  42 -11.835   0.146   7.035
  298    HA   PHE  42           HA       PHE  42 -12.950  -0.597   9.544
  299   1HB   PHE  42           HB2      PHE  42 -10.714   1.011   8.590
  300   2HB   PHE  42           HB1      PHE  42 -11.450   1.717  10.029
  301    HD1  PHE  42           HD1      PHE  42 -11.417  -1.889   9.156
  302    HD2  PHE  42           HD2      PHE  42  -9.762   1.190  11.653
  303    HE1  PHE  42           HE1      PHE  42 -10.325  -3.615  10.560
  304    HE2  PHE  42           HE2      PHE  42  -8.670  -0.538  13.058
  305    HZ   PHE  42           HZ       PHE  42  -8.952  -2.941  12.511
  306    H    LYS  43           HN       LYS  43 -12.868   2.656   8.052
  307    HA   LYS  43           HA       LYS  43 -14.493   4.012   9.872
  308   1HB   LYS  43           HB2      LYS  43 -13.434   5.175   8.012
  309   2HB   LYS  43           HB1      LYS  43 -14.424   4.288   6.853
  310   1HG   LYS  43           HG2      LYS  43 -16.218   5.633   7.179
  311   2HG   LYS  43           HG1      LYS  43 -15.994   5.649   8.929
  312   1HD   LYS  43           HD2      LYS  43 -15.119   7.714   8.789
  313   2HD   LYS  43           HD1      LYS  43 -13.816   7.081   7.782
  314   1HE   LYS  43           HE2      LYS  43 -16.540   7.938   6.760
  315   2HE   LYS  43           HE1      LYS  43 -15.068   8.903   6.644
  316   1HZ   LYS  43           HZ2      LYS  43 -14.412   6.415   5.662
  317   2HZ   LYS  43           HZ1      LYS  43 -15.938   6.761   4.999
  318   3HZ   LYS  43           HZ3      LYS  43 -14.649   7.837   4.763
  319    H    LYS  44           HN       LYS  44 -15.464   1.746   7.336
  320    HA   LYS  44           HA       LYS  44 -18.300   2.302   7.556
  321   1HB   LYS  44           HB2      LYS  44 -16.574   0.476   6.084
  322   2HB   LYS  44           HB1      LYS  44 -18.022  -0.340   6.675
  323   1HG   LYS  44           HG2      LYS  44 -18.581   0.579   4.529
  324   2HG   LYS  44           HG1      LYS  44 -19.366   1.596   5.736
  325   1HD   LYS  44           HD2      LYS  44 -17.099   2.958   5.594
  326   2HD   LYS  44           HD1      LYS  44 -17.000   2.199   4.004
  327   1HE   LYS  44           HE2      LYS  44 -19.573   3.490   4.844
  328   2HE   LYS  44           HE1      LYS  44 -18.245   4.507   4.285
  329   1HZ   LYS  44           HZ3      LYS  44 -18.389   2.403   2.511
  330   2HZ   LYS  44           HZ2      LYS  44 -20.000   2.871   2.776
  331   3HZ   LYS  44           HZ1      LYS  44 -18.860   4.007   2.232
  332    H    PHE  45           HN       PHE  45 -16.097  -0.023   9.049
  333    HA   PHE  45           HA       PHE  45 -17.937  -1.696  10.357
  334   1HB   PHE  45           HB2      PHE  45 -15.277  -1.622  10.325
  335   2HB   PHE  45           HB1      PHE  45 -15.515  -0.783  11.859
  336    HD1  PHE  45           HD2      PHE  45 -16.942  -1.892  13.652
  337    HD2  PHE  45           HD1      PHE  45 -15.546  -3.970  10.163
  338    HE1  PHE  45           HE2      PHE  45 -17.367  -4.062  14.775
  339    HE2  PHE  45           HE1      PHE  45 -15.971  -6.140  11.284
  340    HZ   PHE  45           HZ       PHE  45 -16.881  -6.187  13.591
  341    H    THR  46           HN       THR  46 -16.771   1.505  11.344
  342    HA   THR  46           HA       THR  46 -18.063   1.502  13.838
  343    HB   THR  46           HB       THR  46 -17.388   3.752  14.035
  344    HG1  THR  46           HG1      THR  46 -17.846   4.989  12.425
  345   1HG2  THR  46          HG21      THR  46 -15.560   1.953  13.542
  346   2HG2  THR  46          HG23      THR  46 -15.394   2.796  12.002
  347   3HG2  THR  46          HG22      THR  46 -15.110   3.659  13.513
  348    H    SER  47           HN       SER  47 -18.987   2.485  10.608
  349    HA   SER  47           HA       SER  47 -21.795   2.710  11.551
  350   1HB   SER  47           HB2      SER  47 -20.126   4.950  10.740
  351   2HB   SER  47           HB1      SER  47 -21.545   4.799   9.707
  352    HG   SER  47           HG       SER  47 -21.970   6.042  11.583
  353    H    LYS  48           HN       LYS  48 -23.151   1.747  10.101
  354    HA   LYS  48           HA       LYS  48 -23.916   0.762   8.122
  355   1HB   LYS  48           HB2      LYS  48 -22.265   3.006   7.306
  356   2HB   LYS  48           HB1      LYS  48 -22.189   1.686   6.140
  357   1HG   LYS  48           HG2      LYS  48 -24.572   1.661   5.873
  358   2HG   LYS  48           HG1      LYS  48 -24.798   2.733   7.256
  359   1HD   LYS  48           HD2      LYS  48 -23.260   4.360   5.845
  360   2HD   LYS  48           HD1      LYS  48 -23.835   3.383   4.493
  361   1HE   LYS  48           HE2      LYS  48 -26.104   3.941   4.911
  362   2HE   LYS  48           HE1      LYS  48 -25.740   4.556   6.522
  363   1HZ   LYS  48           HZ1      LYS  48 -24.536   5.783   4.124
  364   2HZ   LYS  48           HZ3      LYS  48 -26.090   6.227   4.636
  365   3HZ   LYS  48           HZ2      LYS  48 -24.759   6.457   5.667
  366    H    ALA  49           HN       ALA  49 -21.642  -0.277   9.762
  367    HA   ALA  49           HA       ALA  49 -19.521  -1.422   8.435
  368   1HB   ALA  49           HB2      ALA  49 -20.624  -1.859  10.858
  369   2HB   ALA  49           HB1      ALA  49 -21.118  -3.346  10.047
  370   3HB   ALA  49           HB3      ALA  49 -19.408  -2.930  10.162
  371    H    SER  50           HN       SER  50 -19.792  -1.978   6.272
  372    HA   SER  50           HA       SER  50 -21.736  -4.192   5.730
  373   1HB   SER  50           HB2      SER  50 -21.027  -1.751   4.141
  374   2HB   SER  50           HB1      SER  50 -21.490  -3.218   3.284
  375    HG   SER  50           HG       SER  50 -23.474  -3.000   3.991
   
  No H/Q in entry =         375
  Start of MODEL   19
    1   1H    ALA   1           HT2      ALA   1 -13.373  20.949   0.535
    2   2H    ALA   1           HT1      ALA   1 -11.932  21.836   0.694
    3   3H    ALA   1           HT3      ALA   1 -11.870  20.177   0.353
    4    HA   ALA   1           HA       ALA   1 -11.350  20.403   2.635
    5   1HB   ALA   1           HB2      ALA   1 -12.782  22.715   2.500
    6   2HB   ALA   1           HB1      ALA   1 -13.928  21.675   3.346
    7   3HB   ALA   1           HB3      ALA   1 -12.319  21.941   4.015
    8    H    GLU   2           HN       GLU   2 -12.447  18.370   1.120
    9    HA   GLU   2           HA       GLU   2 -14.641  17.342   2.875
   10   1HB   GLU   2           HB2      GLU   2 -14.416  17.494   0.010
   11   2HB   GLU   2           HB1      GLU   2 -14.495  15.801   0.499
   12   1HG   GLU   2           HG2      GLU   2 -16.370  17.545   1.948
   13   2HG   GLU   2           HG1      GLU   2 -16.678  17.449   0.214
   14    H    GLY   3           HN       GLY   3 -14.353  15.310   3.796
   15   1HA   GLY   3           HA2      GLY   3 -11.719  13.994   3.243
   16   2HA   GLY   3           HA1      GLY   3 -12.452  14.043   4.848
   17    H    ASP   4           HN       ASP   4 -13.908  13.307   1.669
   18    HA   ASP   4           HA       ASP   4 -15.257  10.976   2.832
   19   1HB   ASP   4           HB2      ASP   4 -15.702  12.697   0.626
   20   2HB   ASP   4           HB1      ASP   4 -15.437  11.087  -0.044
   21    H    ASP   5           HN       ASP   5 -15.168   8.902   1.371
   22    HA   ASP   5           HA       ASP   5 -12.300   8.388   0.680
   23   1HB   ASP   5           HB2      ASP   5 -14.279   6.738   2.240
   24   2HB   ASP   5           HB1      ASP   5 -12.953   5.954   1.378
   25    HA   PRO   6           HA       PRO   6 -15.007   7.389  -2.921
   26   1HB   PRO   6           HB2      PRO   6 -13.667   8.979  -4.717
   27   2HB   PRO   6           HB1      PRO   6 -15.033   9.544  -3.738
   28   1HG   PRO   6           HG2      PRO   6 -12.120  10.133  -3.405
   29   2HG   PRO   6           HG1      PRO   6 -13.522  11.095  -2.902
   30   1HD   PRO   6           HD2      PRO   6 -11.943   9.450  -1.209
   31   2HD   PRO   6           HD1      PRO   6 -13.520  10.160  -0.807
   32    H    ALA   7           HN       ALA   7 -11.646   8.275  -3.747
   33    HA   ALA   7           HA       ALA   7 -11.269   5.826  -5.253
   34   1HB   ALA   7           HB1      ALA   7  -9.995   8.313  -5.102
   35   2HB   ALA   7           HB3      ALA   7  -8.798   7.164  -4.504
   36   3HB   ALA   7           HB2      ALA   7  -9.507   6.945  -6.104
   37    H    LYS   8           HN       LYS   8 -10.688   6.800  -1.955
   38    HA   LYS   8           HA       LYS   8  -8.776   4.689  -1.363
   39   1HB   LYS   8           HB2      LYS   8 -10.364   6.663   0.238
   40   2HB   LYS   8           HB1      LYS   8  -9.685   5.263   1.068
   41   1HG   LYS   8           HG2      LYS   8  -7.509   5.941   0.731
   42   2HG   LYS   8           HG1      LYS   8  -7.888   6.758  -0.786
   43   1HD   LYS   8           HD2      LYS   8  -8.628   7.742   1.987
   44   2HD   LYS   8           HD1      LYS   8  -7.352   8.404   0.964
   45   1HE   LYS   8           HE2      LYS   8  -9.262   8.684  -0.801
   46   2HE   LYS   8           HE1      LYS   8 -10.333   8.549   0.593
   47   1HZ   LYS   8           HZ2      LYS   8  -8.762  10.304   1.607
   48   2HZ   LYS   8           HZ1      LYS   8  -8.322  10.612  -0.005
   49   3HZ   LYS   8           HZ3      LYS   8  -9.935  10.799   0.481
   50    H    ALA   9           HN       ALA   9 -12.170   5.159  -0.312
   51    HA   ALA   9           HA       ALA   9 -12.646   2.640   0.760
   52   1HB   ALA   9           HB2      ALA   9 -14.267   4.608   0.592
   53   2HB   ALA   9           HB1      ALA   9 -14.642   4.038  -1.034
   54   3HB   ALA   9           HB3      ALA   9 -14.974   3.010   0.360
   55    H    ALA  10           HN       ALA  10 -13.045   3.558  -2.689
   56    HA   ALA  10           HA       ALA  10 -13.732   0.940  -3.591
   57   1HB   ALA  10           HB1      ALA  10 -13.041   3.473  -4.801
   58   2HB   ALA  10           HB3      ALA  10 -12.257   2.147  -5.660
   59   3HB   ALA  10           HB2      ALA  10 -14.010   2.156  -5.459
   60    H    PHE  11           HN       PHE  11 -10.572   2.523  -3.157
   61    HA   PHE  11           HA       PHE  11  -8.883   0.675  -4.367
   62   1HB   PHE  11           HB2      PHE  11  -8.559   2.728  -2.509
   63   2HB   PHE  11           HB1      PHE  11  -7.963   1.301  -1.663
   64    HD1  PHE  11           HD1      PHE  11  -7.699   3.140  -4.910
   65    HD2  PHE  11           HD2      PHE  11  -5.838   0.416  -2.160
   66    HE1  PHE  11           HE1      PHE  11  -5.615   3.211  -6.251
   67    HE2  PHE  11           HE2      PHE  11  -3.753   0.487  -3.501
   68    HZ   PHE  11           HZ       PHE  11  -3.642   1.885  -5.546
   69    H    ASP  12           HN       ASP  12 -10.251   0.447  -1.073
   70    HA   ASP  12           HA       ASP  12  -9.256  -2.199  -0.558
   71   1HB   ASP  12           HB2      ASP  12 -11.314  -0.396   0.635
   72   2HB   ASP  12           HB1      ASP  12 -11.437  -2.114   1.013
   73    H    SER  13           HN       SER  13 -12.193  -0.966  -2.101
   74    HA   SER  13           HA       SER  13 -13.468  -3.577  -2.305
   75   1HB   SER  13           HB2      SER  13 -14.180  -0.864  -2.833
   76   2HB   SER  13           HB1      SER  13 -14.437  -1.782  -4.314
   77    HG   SER  13           HG       SER  13 -15.309  -2.681  -1.772
   78    H    LEU  14           HN       LEU  14 -12.690  -1.469  -5.073
   79    HA   LEU  14           HA       LEU  14 -12.507  -3.322  -7.077
   80   1HB   LEU  14           HB2      LEU  14 -10.877  -1.873  -8.197
   81   2HB   LEU  14           HB1      LEU  14 -12.097  -0.895  -7.380
   82    HG   LEU  14           HG       LEU  14 -10.281  -1.149  -5.381
   83   1HD1  LEU  14          HD13      LEU  14  -8.934  -2.026  -7.747
   84   2HD1  LEU  14          HD12      LEU  14  -8.249  -0.473  -7.269
   85   3HD1  LEU  14          HD11      LEU  14  -8.270  -1.817  -6.128
   86   1HD2  LEU  14          HD21      LEU  14 -11.245   0.868  -7.060
   87   2HD2  LEU  14          HD23      LEU  14 -10.269   1.101  -5.609
   88   3HD2  LEU  14          HD22      LEU  14  -9.491   1.002  -7.189
   89    H    GLN  15           HN       GLN  15 -10.209  -3.071  -4.429
   90    HA   GLN  15           HA       GLN  15  -8.208  -4.718  -5.738
   91   1HB   GLN  15           HB2      GLN  15  -8.547  -3.527  -2.996
   92   2HB   GLN  15           HB1      GLN  15  -7.361  -4.795  -3.259
   93   1HG   GLN  15           HG2      GLN  15  -7.025  -3.011  -5.407
   94   2HG   GLN  15           HG1      GLN  15  -7.198  -2.000  -3.973
   95   1HE2  GLN  15          HE22      GLN  15  -4.079  -4.700  -4.033
   96   2HE2  GLN  15          HE21      GLN  15  -5.518  -5.079  -4.856
   97    H    ALA  16           HN       ALA  16 -10.269  -5.107  -2.840
   98    HA   ALA  16           HA       ALA  16  -9.947  -7.867  -2.537
   99   1HB   ALA  16           HB1      ALA  16 -11.240  -6.055  -1.105
  100   2HB   ALA  16           HB3      ALA  16 -12.620  -6.705  -1.989
  101   3HB   ALA  16           HB2      ALA  16 -11.640  -7.767  -0.978
  102    H    SER  17           HN       SER  17 -11.509  -6.249  -4.998
  103    HA   SER  17           HA       SER  17 -13.358  -8.388  -5.698
  104   1HB   SER  17           HB2      SER  17 -13.162  -5.676  -6.346
  105   2HB   SER  17           HB1      SER  17 -12.823  -6.520  -7.854
  106    HG   SER  17           HG       SER  17 -14.800  -7.329  -7.854
  107    H    ALA  18           HN       ALA  18 -10.241  -8.556  -5.717
  108    HA   ALA  18           HA       ALA  18  -8.696  -9.861  -6.903
  109   1HB   ALA  18           HB2      ALA  18 -10.909 -11.262  -7.182
  110   2HB   ALA  18           HB1      ALA  18 -10.857 -10.653  -8.837
  111   3HB   ALA  18           HB3      ALA  18  -9.518 -11.616  -8.209
  112    H    THR  19           HN       THR  19  -8.040  -7.562  -7.545
  113    HA   THR  19           HA       THR  19  -8.411  -7.214 -10.496
  114    HB   THR  19           HB       THR  19  -9.445  -5.438  -8.971
  115    HG1  THR  19           HG1      THR  19  -8.909  -5.065 -11.161
  116   1HG2  THR  19          HG23      THR  19  -7.383  -5.499  -7.433
  117   2HG2  THR  19          HG22      THR  19  -6.590  -4.514  -8.662
  118   3HG2  THR  19          HG21      THR  19  -8.029  -3.910  -7.842
  119    H    GLU  20           HN       GLU  20  -6.130  -6.990  -7.780
  120    HA   GLU  20           HA       GLU  20  -3.936  -6.792  -9.766
  121   1HB   GLU  20           HB2      GLU  20  -2.621  -5.640  -8.204
  122   2HB   GLU  20           HB1      GLU  20  -4.229  -4.996  -7.925
  123   1HG   GLU  20           HG2      GLU  20  -4.520  -6.262  -5.948
  124   2HG   GLU  20           HG1      GLU  20  -3.191  -7.352  -6.348
  125    H    TYR  21           HN       TYR  21  -5.188  -8.482  -7.177
  126    HA   TYR  21           HA       TYR  21  -4.484 -11.035  -7.544
  127   1HB   TYR  21           HB2      TYR  21  -2.297 -11.483  -6.540
  128   2HB   TYR  21           HB1      TYR  21  -2.078 -10.378  -7.881
  129    HD1  TYR  21           HD2      TYR  21  -2.603 -10.451  -4.182
  130    HD2  TYR  21           HD1      TYR  21  -0.975  -8.312  -7.533
  131    HE1  TYR  21           HE2      TYR  21  -1.543  -8.830  -2.632
  132    HE2  TYR  21           HE1      TYR  21   0.089  -6.696  -5.979
  133    HH   TYR  21           HH       TYR  21  -0.574  -5.959  -3.343
  134    H    ILE  22           HN       ILE  22  -4.642  -8.336  -5.375
  135    HA   ILE  22           HA       ILE  22  -5.253 -10.286  -3.220
  136    HB   ILE  22           HB       ILE  22  -3.793  -8.901  -2.124
  137   1HG1  ILE  22          HG12      ILE  22  -6.402  -8.375  -1.404
  138   2HG1  ILE  22          HG11      ILE  22  -4.993  -7.795  -0.529
  139   1HG2  ILE  22          HG22      ILE  22  -3.403  -7.619  -4.187
  140   2HG2  ILE  22          HG21      ILE  22  -4.714  -6.555  -3.719
  141   3HG2  ILE  22          HG23      ILE  22  -3.280  -6.673  -2.707
  142   1HD1  ILE  22          HD13      ILE  22  -6.434  -6.265  -2.720
  143   2HD1  ILE  22          HD12      ILE  22  -6.576  -5.945  -1.001
  144   3HD1  ILE  22          HD11      ILE  22  -5.042  -5.696  -1.828
  145    H    GLY  23           HN       GLY  23  -7.271 -10.762  -4.307
  146   1HA   GLY  23           HA2      GLY  23  -9.284  -8.609  -4.006
  147   2HA   GLY  23           HA1      GLY  23  -9.527 -10.090  -4.920
  148    H    TYR  24           HN       TYR  24  -7.938 -10.153  -1.840
  149    HA   TYR  24           HA       TYR  24 -10.183 -11.746  -0.767
  150   1HB   TYR  24           HB2      TYR  24  -7.538 -11.335   0.691
  151   2HB   TYR  24           HB1      TYR  24  -8.669 -12.680   0.814
  152    HD1  TYR  24           HD1      TYR  24  -8.853 -12.491  -2.488
  153    HD2  TYR  24           HD2      TYR  24  -5.792 -13.102   0.455
  154    HE1  TYR  24           HE1      TYR  24  -7.489 -13.679  -4.145
  155    HE2  TYR  24           HE2      TYR  24  -4.430 -14.299  -1.200
  156    HH   TYR  24           HH       TYR  24  -4.312 -15.067  -3.284
  157    H    ALA  25           HN       ALA  25  -9.114  -8.569  -0.839
  158    HA   ALA  25           HA       ALA  25 -10.138  -6.725   0.252
  159   1HB   ALA  25           HB2      ALA  25 -11.805  -8.750   1.067
  160   2HB   ALA  25           HB1      ALA  25 -11.137  -8.192   2.601
  161   3HB   ALA  25           HB3      ALA  25 -11.975  -7.060   1.540
  162    H    TRP  26           HN       TRP  26  -7.475  -7.846   0.684
  163    HA   TRP  26           HA       TRP  26  -7.035  -6.634   3.375
  164   1HB   TRP  26           HB2      TRP  26  -5.846  -8.398   4.141
  165   2HB   TRP  26           HB1      TRP  26  -6.928  -9.260   3.064
  166    HD1  TRP  26           HD1      TRP  26  -3.396  -8.526   3.663
  167    HE1  TRP  26           HE1      TRP  26  -1.923  -9.627   1.868
  168    HE3  TRP  26           HE3      TRP  26  -6.843  -9.743   0.339
  169    HZ2  TRP  26           HZ2      TRP  26  -2.266 -10.914  -0.601
  170    HZ3  TRP  26           HZ3      TRP  26  -6.300 -10.896  -1.747
  171    HH2  TRP  26           HH2      TRP  26  -3.967 -11.478  -2.234
  172    H    ALA  27           HN       ALA  27  -6.824  -5.486   0.925
  173    HA   ALA  27           HA       ALA  27  -4.282  -5.443  -0.248
  174   1HB   ALA  27           HB1      ALA  27  -6.675  -4.097  -0.659
  175   2HB   ALA  27           HB3      ALA  27  -5.559  -2.817  -0.185
  176   3HB   ALA  27           HB2      ALA  27  -5.184  -3.845  -1.567
  177    H    MET  28           HN       MET  28  -5.453  -4.078   2.716
  178    HA   MET  28           HA       MET  28  -3.676  -2.056   3.260
  179   1HB   MET  28           HB2      MET  28  -3.685  -2.942   5.663
  180   2HB   MET  28           HB1      MET  28  -5.267  -2.610   4.956
  181   1HG   MET  28           HG2      MET  28  -5.850  -4.812   4.906
  182   2HG   MET  28           HG1      MET  28  -4.225  -5.331   4.454
  183   1HE   MET  28           HE2      MET  28  -6.607  -4.110   7.070
  184   2HE   MET  28           HE1      MET  28  -6.746  -5.866   7.086
  185   3HE   MET  28           HE3      MET  28  -6.164  -5.007   8.520
  186    H    VAL  29           HN       VAL  29  -3.103  -5.420   2.925
  187    HA   VAL  29           HA       VAL  29  -0.578  -5.742   4.107
  188    HB   VAL  29           HB       VAL  29  -2.342  -7.253   2.234
  189   1HG1  VAL  29          HG12      VAL  29   0.697  -7.366   1.850
  190   2HG1  VAL  29          HG11      VAL  29  -0.384  -8.678   1.381
  191   3HG1  VAL  29          HG13      VAL  29  -0.538  -7.093   0.620
  192   1HG2  VAL  29          HG21      VAL  29  -0.161  -8.026   4.247
  193   2HG2  VAL  29          HG23      VAL  29  -1.882  -7.859   4.590
  194   3HG2  VAL  29          HG22      VAL  29  -1.316  -9.140   3.522
  195    H    VAL  30           HN       VAL  30  -1.303  -5.157   0.636
  196    HA   VAL  30           HA       VAL  30   1.405  -4.680  -0.123
  197    HB   VAL  30           HB       VAL  30  -0.602  -5.116  -1.650
  198   1HG1  VAL  30          HG12      VAL  30  -1.636  -2.891  -0.435
  199   2HG1  VAL  30          HG11      VAL  30  -1.000  -2.202  -1.929
  200   3HG1  VAL  30          HG13      VAL  30  -2.180  -3.511  -1.992
  201   1HG2  VAL  30          HG21      VAL  30   1.817  -4.042  -2.165
  202   2HG2  VAL  30          HG23      VAL  30   0.604  -4.281  -3.424
  203   3HG2  VAL  30          HG22      VAL  30   0.799  -2.695  -2.677
  204    H    VAL  31           HN       VAL  31  -1.021  -2.570   1.296
  205    HA   VAL  31           HA       VAL  31   0.160  -0.057   0.682
  206    HB   VAL  31           HB       VAL  31  -1.513  -1.022   3.011
  207   1HG1  VAL  31          HG12      VAL  31   0.083   1.399   2.814
  208   2HG1  VAL  31          HG11      VAL  31  -1.636   1.779   2.919
  209   3HG1  VAL  31          HG13      VAL  31  -0.870   0.801   4.172
  210   1HG2  VAL  31          HG21      VAL  31  -2.288  -0.619   0.506
  211   2HG2  VAL  31          HG23      VAL  31  -3.302  -0.101   1.853
  212   3HG2  VAL  31          HG22      VAL  31  -2.289   1.072   1.011
  213    H    ILE  32           HN       ILE  32   0.411  -1.769   3.830
  214    HA   ILE  32           HA       ILE  32   2.580  -0.213   4.748
  215    HB   ILE  32           HB       ILE  32   1.358  -1.518   6.259
  216   1HG1  ILE  32          HG12      ILE  32   3.958  -2.979   6.192
  217   2HG1  ILE  32          HG11      ILE  32   3.935  -1.239   6.481
  218   1HG2  ILE  32          HG23      ILE  32   1.127  -3.395   4.369
  219   2HG2  ILE  32          HG22      ILE  32   2.400  -4.120   5.349
  220   3HG2  ILE  32          HG21      ILE  32   0.840  -3.736   6.075
  221   1HD1  ILE  32          HD13      ILE  32   1.919  -2.350   8.132
  222   2HD1  ILE  32          HD12      ILE  32   3.343  -3.373   8.322
  223   3HD1  ILE  32          HD11      ILE  32   3.453  -1.642   8.640
  224    H    VAL  33           HN       VAL  33   2.695  -3.519   3.333
  225    HA   VAL  33           HA       VAL  33   5.466  -3.784   3.353
  226    HB   VAL  33           HB       VAL  33   3.619  -4.555   1.059
  227   1HG1  VAL  33          HG13      VAL  33   6.340  -4.611   1.050
  228   2HG1  VAL  33          HG12      VAL  33   5.991  -6.186   1.762
  229   3HG1  VAL  33          HG11      VAL  33   5.339  -5.772   0.177
  230   1HG2  VAL  33          HG22      VAL  33   3.471  -5.368   3.699
  231   2HG2  VAL  33          HG21      VAL  33   2.873  -6.291   2.320
  232   3HG2  VAL  33          HG23      VAL  33   4.480  -6.617   2.971
  233    H    GLY  34           HN       GLY  34   3.509  -1.584   1.529
  234   1HA   GLY  34           HA2      GLY  34   5.509  -0.928  -0.466
  235   2HA   GLY  34           HA1      GLY  34   4.159   0.110   0.019
  236    H    ALA  35           HN       ALA  35   4.528   0.522   2.636
  237    HA   ALA  35           HA       ALA  35   6.726   2.394   2.730
  238   1HB   ALA  35           HB1      ALA  35   4.616   2.699   4.003
  239   2HB   ALA  35           HB3      ALA  35   5.038   1.310   5.004
  240   3HB   ALA  35           HB2      ALA  35   6.034   2.765   5.050
  241    H    THR  36           HN       THR  36   6.212  -0.795   4.435
  242    HA   THR  36           HA       THR  36   8.702  -0.749   5.812
  243    HB   THR  36           HB       THR  36   7.102  -3.111   4.784
  244    HG1  THR  36           HG1      THR  36   5.920  -1.937   6.231
  245   1HG2  THR  36          HG21      THR  36   9.687  -2.951   6.064
  246   2HG2  THR  36          HG23      THR  36   8.533  -3.767   7.120
  247   3HG2  THR  36          HG22      THR  36   8.820  -4.375   5.490
  248    H    ILE  37           HN       ILE  37   7.967  -2.704   2.901
  249    HA   ILE  37           HA       ILE  37  10.745  -3.191   2.310
  250    HB   ILE  37           HB       ILE  37   8.337  -3.326   0.487
  251   1HG1  ILE  37          HG12      ILE  37   7.936  -4.750   2.383
  252   2HG1  ILE  37          HG11      ILE  37   8.502  -5.803   1.086
  253   1HG2  ILE  37          HG21      ILE  37  11.117  -3.643  -0.021
  254   2HG2  ILE  37          HG23      ILE  37  10.405  -5.256  -0.044
  255   3HG2  ILE  37          HG22      ILE  37   9.777  -4.000  -1.110
  256   1HD1  ILE  37          HD12      ILE  37  10.878  -5.273   2.126
  257   2HD1  ILE  37          HD11      ILE  37   9.929  -4.923   3.570
  258   3HD1  ILE  37          HD13      ILE  37   9.853  -6.523   2.832
  259    H    GLY  38           HN       GLY  38   8.720  -0.505   1.749
  260   1HA   GLY  38           HA2      GLY  38  10.075   0.496  -0.623
  261   2HA   GLY  38           HA1      GLY  38   8.949   1.411   0.385
  262    H    ILE  39           HN       ILE  39   9.816   2.106   2.541
  263    HA   ILE  39           HA       ILE  39  12.257   3.524   2.250
  264    HB   ILE  39           HB       ILE  39  10.190   3.363   4.184
  265   1HG1  ILE  39          HG12      ILE  39  11.249   5.406   3.333
  266   2HG1  ILE  39          HG11      ILE  39  11.305   5.378   5.096
  267   1HG2  ILE  39          HG21      ILE  39  11.665   1.687   5.380
  268   2HG2  ILE  39          HG23      ILE  39  12.873   2.962   5.542
  269   3HG2  ILE  39          HG22      ILE  39  11.299   3.135   6.318
  270   1HD1  ILE  39          HD12      ILE  39  13.621   4.073   3.861
  271   2HD1  ILE  39          HD11      ILE  39  13.482   5.778   3.433
  272   3HD1  ILE  39          HD13      ILE  39  13.567   5.299   5.128
  273    H    LYS  40           HN       LYS  40  11.616   0.195   2.886
  274    HA   LYS  40           HA       LYS  40  14.002  -0.412   4.398
  275   1HB   LYS  40           HB2      LYS  40  12.293  -2.098   4.296
  276   2HB   LYS  40           HB1      LYS  40  12.297  -2.083   2.531
  277   1HG   LYS  40           HG2      LYS  40  14.504  -3.043   2.451
  278   2HG   LYS  40           HG1      LYS  40  14.711  -2.846   4.191
  279   1HD   LYS  40           HD2      LYS  40  13.058  -4.510   4.671
  280   2HD   LYS  40           HD1      LYS  40  12.517  -4.548   2.991
  281   1HE   LYS  40           HE2      LYS  40  15.174  -5.504   4.086
  282   2HE   LYS  40           HE1      LYS  40  13.918  -6.478   3.320
  283   1HZ   LYS  40           HZ3      LYS  40  14.288  -4.886   1.346
  284   2HZ   LYS  40           HZ2      LYS  40  15.776  -4.549   2.095
  285   3HZ   LYS  40           HZ1      LYS  40  15.403  -6.134   1.611
  286    H    LEU  41           HN       LEU  41  13.417  -1.272   0.980
  287    HA   LEU  41           HA       LEU  41  16.226  -1.408   0.371
  288   1HB   LEU  41           HB2      LEU  41  14.297  -2.517  -0.897
  289   2HB   LEU  41           HB1      LEU  41  14.006  -0.939  -1.631
  290    HG   LEU  41           HG       LEU  41  16.302  -0.894  -2.495
  291   1HD1  LEU  41          HD12      LEU  41  16.604  -3.039  -0.571
  292   2HD1  LEU  41          HD11      LEU  41  17.151  -3.556  -2.165
  293   3HD1  LEU  41          HD13      LEU  41  17.850  -2.122  -1.416
  294   1HD2  LEU  41          HD22      LEU  41  14.816  -3.475  -3.091
  295   2HD2  LEU  41          HD21      LEU  41  14.584  -1.928  -3.905
  296   3HD2  LEU  41          HD23      LEU  41  16.103  -2.802  -4.092
  297    H    PHE  42           HN       PHE  42  14.181   1.233   0.881
  298    HA   PHE  42           HA       PHE  42  15.406   3.055  -1.044
  299   1HB   PHE  42           HB2      PHE  42  13.048   3.199   0.058
  300   2HB   PHE  42           HB1      PHE  42  13.902   3.916   1.423
  301    HD1  PHE  42           HD1      PHE  42  13.588   4.213  -2.300
  302    HD2  PHE  42           HD2      PHE  42  14.357   6.210   1.424
  303    HE1  PHE  42           HE1      PHE  42  13.645   6.394  -3.482
  304    HE2  PHE  42           HE2      PHE  42  14.416   8.390   0.245
  305    HZ   PHE  42           HZ       PHE  42  14.060   8.483  -2.208
  306    H    LYS  43           HN       LYS  43  15.298   3.334   2.517
  307    HA   LYS  43           HA       LYS  43  17.661   4.959   2.633
  308   1HB   LYS  43           HB2      LYS  43  15.678   4.342   4.396
  309   2HB   LYS  43           HB1      LYS  43  16.997   3.357   5.031
  310   1HG   LYS  43           HG2      LYS  43  18.354   5.207   5.460
  311   2HG   LYS  43           HG1      LYS  43  17.513   6.220   4.285
  312   1HD   LYS  43           HD2      LYS  43  16.851   6.969   6.481
  313   2HD   LYS  43           HD1      LYS  43  15.478   6.111   5.779
  314   1HE   LYS  43           HE2      LYS  43  15.723   4.284   7.184
  315   2HE   LYS  43           HE1      LYS  43  17.451   4.553   7.404
  316   1HZ   LYS  43           HZ1      LYS  43  16.786   6.641   8.621
  317   2HZ   LYS  43           HZ3      LYS  43  15.203   6.034   8.632
  318   3HZ   LYS  43           HZ2      LYS  43  16.445   5.176   9.411
  319    H    LYS  44           HN       LYS  44  17.196   1.476   2.663
  320    HA   LYS  44           HA       LYS  44  19.866   0.892   3.693
  321   1HB   LYS  44           HB2      LYS  44  17.581  -0.570   3.462
  322   2HB   LYS  44           HB1      LYS  44  18.497  -1.170   2.081
  323   1HG   LYS  44           HG2      LYS  44  19.558  -2.516   3.559
  324   2HG   LYS  44           HG1      LYS  44  20.394  -1.060   4.103
  325   1HD   LYS  44           HD2      LYS  44  17.673  -1.727   5.199
  326   2HD   LYS  44           HD1      LYS  44  19.108  -2.510   5.862
  327   1HE   LYS  44           HE2      LYS  44  20.091  -0.143   6.077
  328   2HE   LYS  44           HE1      LYS  44  18.448   0.436   5.804
  329   1HZ   LYS  44           HZ1      LYS  44  18.689  -1.671   7.768
  330   2HZ   LYS  44           HZ3      LYS  44  19.443  -0.216   8.203
  331   3HZ   LYS  44           HZ2      LYS  44  17.787  -0.232   7.820
  332    H    PHE  45           HN       PHE  45  18.698   1.952   0.712
  333    HA   PHE  45           HA       PHE  45  20.041   0.615  -1.286
  334   1HB   PHE  45           HB2      PHE  45  19.050   3.274  -0.932
  335   2HB   PHE  45           HB1      PHE  45  20.627   3.372  -1.713
  336    HD1  PHE  45           HD1      PHE  45  21.058   1.766  -3.704
  337    HD2  PHE  45           HD2      PHE  45  17.153   2.693  -2.184
  338    HE1  PHE  45           HE1      PHE  45  20.049   1.017  -5.842
  339    HE2  PHE  45           HE2      PHE  45  16.142   1.946  -4.320
  340    HZ   PHE  45           HZ       PHE  45  17.590   1.108  -6.150
  341    H    THR  46           HN       THR  46  21.534   2.922   0.982
  342    HA   THR  46           HA       THR  46  23.966   1.636   1.134
  343    HB   THR  46           HB       THR  46  24.283   2.092  -1.234
  344    HG1  THR  46           HG1      THR  46  26.012   3.926  -0.724
  345   1HG2  THR  46          HG21      THR  46  22.719   4.264  -0.821
  346   2HG2  THR  46          HG23      THR  46  24.307   5.027  -0.859
  347   3HG2  THR  46          HG22      THR  46  23.756   4.075  -2.235
  348    H    SER  47           HN       SER  47  22.143   3.239   2.740
  349    HA   SER  47           HA       SER  47  22.346   4.763   4.515
  350   1HB   SER  47           HB2      SER  47  24.400   4.808   5.475
  351   2HB   SER  47           HB1      SER  47  24.890   3.736   4.167
  352    HG   SER  47           HG       SER  47  26.112   5.789   4.520
  353    H    LYS  48           HN       LYS  48  22.447   5.506   1.365
  354    HA   LYS  48           HA       LYS  48  22.849   8.430   1.870
  355   1HB   LYS  48           HB2      LYS  48  23.613   6.663  -0.352
  356   2HB   LYS  48           HB1      LYS  48  22.830   8.155  -0.867
  357   1HG   LYS  48           HG2      LYS  48  24.915   8.374   1.253
  358   2HG   LYS  48           HG1      LYS  48  25.465   8.034  -0.388
  359   1HD   LYS  48           HD2      LYS  48  23.428  10.094  -0.410
  360   2HD   LYS  48           HD1      LYS  48  24.752  10.544   0.665
  361   1HE   LYS  48           HE2      LYS  48  26.379  10.232  -1.093
  362   2HE   LYS  48           HE1      LYS  48  25.158   9.547  -2.166
  363   1HZ   LYS  48           HZ3      LYS  48  24.346  12.082  -1.188
  364   2HZ   LYS  48           HZ2      LYS  48  25.865  12.197  -1.939
  365   3HZ   LYS  48           HZ1      LYS  48  24.539  11.564  -2.791
  366    H    ALA  49           HN       ALA  49  20.551   6.022   1.168
  367    HA   ALA  49           HA       ALA  49  18.278   6.145   0.596
  368   1HB   ALA  49           HB3      ALA  49  18.868   8.858   1.748
  369   2HB   ALA  49           HB2      ALA  49  17.284   8.530   1.048
  370   3HB   ALA  49           HB1      ALA  49  17.864   7.568   2.407
  371    H    SER  50           HN       SER  50  18.647   5.810  -1.672
  372    HA   SER  50           HA       SER  50  18.017   8.198  -3.301
  373   1HB   SER  50           HB2      SER  50  19.855   7.263  -4.948
  374   2HB   SER  50           HB1      SER  50  20.312   8.350  -3.641
  375    HG   SER  50           HG       SER  50  20.258   5.533  -3.346
   
  No H/Q in entry =         375
  Start of MODEL   20
    1   1H    ALA   1           HT3      ALA   1   2.453   0.803  10.421
    2   2H    ALA   1           HT2      ALA   1   2.019   1.495   8.931
    3   3H    ALA   1           HT1      ALA   1   1.926   2.413  10.358
    4    HA   ALA   1           HA       ALA   1   0.138   1.099  11.194
    5   1HB   ALA   1           HB3      ALA   1  -0.140   1.988   8.316
    6   2HB   ALA   1           HB2      ALA   1  -1.512   1.411   9.261
    7   3HB   ALA   1           HB1      ALA   1  -0.635   2.853   9.770
    8    H    GLU   2           HN       GLU   2   0.039   0.065   7.809
    9    HA   GLU   2           HA       GLU   2  -0.093  -2.755   8.797
   10   1HB   GLU   2           HB2      GLU   2  -1.988  -1.399   7.355
   11   2HB   GLU   2           HB1      GLU   2  -1.070  -2.183   6.070
   12   1HG   GLU   2           HG2      GLU   2  -1.559  -4.330   6.844
   13   2HG   GLU   2           HG1      GLU   2  -1.877  -3.772   8.487
   14    H    GLY   3           HN       GLY   3   2.405  -2.309   8.638
   15   1HA   GLY   3           HA2      GLY   3   3.771  -3.885   7.007
   16   2HA   GLY   3           HA1      GLY   3   3.375  -2.617   5.846
   17    H    ASP   4           HN       ASP   4   3.817  -0.294   6.943
   18    HA   ASP   4           HA       ASP   4   5.493   1.202   7.622
   19   1HB   ASP   4           HB2      ASP   4   5.107  -0.485   9.718
   20   2HB   ASP   4           HB1      ASP   4   6.810  -0.792   9.377
   21    H    ASP   5           HN       ASP   5   6.677   1.287   5.678
   22    HA   ASP   5           HA       ASP   5   8.759  -0.767   5.218
   23   1HB   ASP   5           HB2      ASP   5   8.216   1.663   3.506
   24   2HB   ASP   5           HB1      ASP   5   8.961   0.138   3.031
   25    HA   PRO   6           HA       PRO   6  11.926   1.770   6.894
   26   1HB   PRO   6           HB2      PRO   6  14.073   0.564   5.673
   27   2HB   PRO   6           HB1      PRO   6  13.199  -0.146   7.042
   28   1HG   PRO   6           HG2      PRO   6  13.100  -0.914   4.154
   29   2HG   PRO   6           HG1      PRO   6  12.779  -1.905   5.588
   30   1HD   PRO   6           HD2      PRO   6  10.813  -0.753   3.897
   31   2HD   PRO   6           HD1      PRO   6  10.525  -1.463   5.500
   32    H    ALA   7           HN       ALA   7  11.032   1.784   3.646
   33    HA   ALA   7           HA       ALA   7  12.108   4.392   3.148
   34   1HB   ALA   7           HB2      ALA   7  13.663   2.029   2.126
   35   2HB   ALA   7           HB1      ALA   7  13.608   3.517   1.181
   36   3HB   ALA   7           HB3      ALA   7  14.261   3.537   2.819
   37    H    LYS   8           HN       LYS   8   9.681   4.143   2.713
   38    HA   LYS   8           HA       LYS   8   8.470   2.703   0.689
   39   1HB   LYS   8           HB2      LYS   8   7.528   4.619   2.208
   40   2HB   LYS   8           HB1      LYS   8   7.955   5.664   0.853
   41   1HG   LYS   8           HG2      LYS   8   6.578   4.328  -0.661
   42   2HG   LYS   8           HG1      LYS   8   6.204   3.198   0.642
   43   1HD   LYS   8           HD2      LYS   8   5.546   5.685   1.712
   44   2HD   LYS   8           HD1      LYS   8   4.999   5.787   0.038
   45   1HE   LYS   8           HE2      LYS   8   3.175   4.857   1.282
   46   2HE   LYS   8           HE1      LYS   8   3.895   3.521   0.384
   47   1HZ   LYS   8           HZ3      LYS   8   4.773   4.151   3.130
   48   2HZ   LYS   8           HZ2      LYS   8   3.399   3.190   2.857
   49   3HZ   LYS   8           HZ1      LYS   8   4.916   2.693   2.276
   50    H    ALA   9           HN       ALA   9  10.381   5.685   0.274
   51    HA   ALA   9           HA       ALA   9  10.080   6.186  -2.426
   52   1HB   ALA   9           HB3      ALA   9  12.307   6.486  -0.502
   53   2HB   ALA   9           HB2      ALA   9  12.781   6.491  -2.201
   54   3HB   ALA   9           HB1      ALA   9  11.608   7.668  -1.609
   55    H    ALA  10           HN       ALA  10  12.563   3.941  -1.119
   56    HA   ALA  10           HA       ALA  10  13.287   2.906  -3.681
   57   1HB   ALA  10           HB2      ALA  10  14.475   2.654  -1.372
   58   2HB   ALA  10           HB1      ALA  10  13.445   1.234  -1.194
   59   3HB   ALA  10           HB3      ALA  10  14.582   1.335  -2.538
   60    H    PHE  11           HN       PHE  11  10.790   1.922  -1.362
   61    HA   PHE  11           HA       PHE  11  10.089  -0.581  -2.344
   62   1HB   PHE  11           HB2      PHE  11   8.757   1.511  -0.878
   63   2HB   PHE  11           HB1      PHE  11   7.638   0.821  -2.056
   64    HD1  PHE  11           HD2      PHE  11   7.012  -1.544  -1.976
   65    HD2  PHE  11           HD1      PHE  11   9.715   0.143   0.904
   66    HE1  PHE  11           HE2      PHE  11   6.750  -3.554  -0.550
   67    HE2  PHE  11           HE1      PHE  11   9.454  -1.867   2.328
   68    HZ   PHE  11           HZ       PHE  11   7.970  -3.716   1.603
   69    H    ASP  12           HN       ASP  12   8.853   2.534  -3.588
   70    HA   ASP  12           HA       ASP  12   7.601   1.361  -5.900
   71   1HB   ASP  12           HB2      ASP  12   6.969   3.587  -5.056
   72   2HB   ASP  12           HB1      ASP  12   8.579   4.197  -5.436
   73    H    SER  13           HN       SER  13  10.869   2.455  -5.211
   74    HA   SER  13           HA       SER  13  11.719   2.494  -8.002
   75   1HB   SER  13           HB2      SER  13  12.838   3.186  -5.460
   76   2HB   SER  13           HB1      SER  13  13.952   2.099  -6.281
   77    HG   SER  13           HG       SER  13  13.503   3.540  -8.170
   78    H    LEU  14           HN       LEU  14  13.168   0.480  -5.436
   79    HA   LEU  14           HA       LEU  14  14.265  -1.526  -6.923
   80   1HB   LEU  14           HB2      LEU  14  13.944  -3.044  -5.044
   81   2HB   LEU  14           HB1      LEU  14  14.271  -1.426  -4.423
   82    HG   LEU  14           HG       LEU  14  11.627  -1.221  -4.524
   83   1HD1  LEU  14          HD12      LEU  14  12.162  -4.045  -5.011
   84   2HD1  LEU  14          HD11      LEU  14  11.178  -3.812  -3.565
   85   3HD1  LEU  14          HD13      LEU  14  10.637  -3.165  -5.114
   86   1HD2  LEU  14          HD22      LEU  14  13.341  -2.589  -2.446
   87   2HD2  LEU  14          HD21      LEU  14  12.752  -0.927  -2.457
   88   3HD2  LEU  14          HD23      LEU  14  11.633  -2.257  -2.157
   89    H    GLN  15           HN       GLN  15  10.784  -1.159  -6.277
   90    HA   GLN  15           HA       GLN  15  10.125  -3.722  -7.492
   91   1HB   GLN  15           HB2      GLN  15   8.666  -1.517  -6.260
   92   2HB   GLN  15           HB1      GLN  15   7.837  -2.167  -7.667
   93   1HG   GLN  15           HG2      GLN  15   8.990  -4.130  -5.738
   94   2HG   GLN  15           HG1      GLN  15   7.545  -3.252  -5.232
   95   1HE2  GLN  15          HE22      GLN  15   6.138  -6.157  -6.957
   96   2HE2  GLN  15          HE21      GLN  15   6.836  -5.752  -5.459
   97    H    ALA  16           HN       ALA  16   9.627  -0.343  -8.565
   98    HA   ALA  16           HA       ALA  16   8.713  -0.832 -11.128
   99   1HB   ALA  16           HB3      ALA  16  10.400   1.375 -10.032
  100   2HB   ALA  16           HB2      ALA  16   9.952   1.357 -11.738
  101   3HB   ALA  16           HB1      ALA  16   8.700   1.421 -10.497
  102    H    SER  17           HN       SER  17  11.772  -1.561  -9.987
  103    HA   SER  17           HA       SER  17  13.087  -1.535 -12.597
  104   1HB   SER  17           HB2      SER  17  14.056  -1.446 -10.058
  105   2HB   SER  17           HB1      SER  17  14.264  -3.159 -10.411
  106    HG   SER  17           HG       SER  17  15.068  -1.104 -12.192
  107    H    ALA  18           HN       ALA  18  10.668  -3.111 -12.614
  108    HA   ALA  18           HA       ALA  18   9.877  -5.299 -13.034
  109   1HB   ALA  18           HB3      ALA  18  12.562  -5.251 -14.443
  110   2HB   ALA  18           HB2      ALA  18  11.347  -6.506 -14.685
  111   3HB   ALA  18           HB1      ALA  18  10.994  -4.838 -15.138
  112    H    THR  19           HN       THR  19  10.684  -5.319 -10.498
  113    HA   THR  19           HA       THR  19  12.715  -7.459 -10.171
  114    HB   THR  19           HB       THR  19  12.682  -5.307  -8.771
  115    HG1  THR  19           HG1      THR  19  12.496  -7.667  -7.238
  116   1HG2  THR  19          HG23      THR  19  10.217  -5.360  -8.377
  117   2HG2  THR  19          HG22      THR  19  10.442  -6.798  -7.387
  118   3HG2  THR  19          HG21      THR  19  11.145  -5.266  -6.881
  119    H    GLU  20           HN       GLU  20   9.265  -6.838  -9.404
  120    HA   GLU  20           HA       GLU  20   9.002  -9.793  -8.998
  121   1HB   GLU  20           HB2      GLU  20   7.596  -7.648  -7.424
  122   2HB   GLU  20           HB1      GLU  20   7.403  -9.387  -7.222
  123   1HG   GLU  20           HG2      GLU  20  10.200  -8.726  -7.146
  124   2HG   GLU  20           HG1      GLU  20   9.329  -7.718  -5.991
  125    H    TYR  21           HN       TYR  21   8.398  -9.268 -11.359
  126    HA   TYR  21           HA       TYR  21   6.819  -9.209 -13.075
  127   1HB   TYR  21           HB2      TYR  21   4.766 -10.371 -12.646
  128   2HB   TYR  21           HB1      TYR  21   5.989 -11.123 -11.623
  129    HD1  TYR  21           HD1      TYR  21   3.424  -8.388 -11.549
  130    HD2  TYR  21           HD2      TYR  21   5.583 -11.353  -9.331
  131    HE1  TYR  21           HE1      TYR  21   2.108  -7.821  -9.540
  132    HE2  TYR  21           HE2      TYR  21   4.258 -10.794  -7.319
  133    HH   TYR  21           HH       TYR  21   2.836  -9.292  -6.403
  134    H    ILE  22           HN       ILE  22   6.611  -6.884 -10.650
  135    HA   ILE  22           HA       ILE  22   4.492  -5.550 -12.209
  136    HB   ILE  22           HB       ILE  22   3.296  -5.915 -10.237
  137   1HG1  ILE  22          HG12      ILE  22   4.681  -3.479  -9.180
  138   2HG1  ILE  22          HG11      ILE  22   3.817  -3.367 -10.681
  139   1HG2  ILE  22          HG23      ILE  22   5.956  -6.028  -9.135
  140   2HG2  ILE  22          HG22      ILE  22   4.777  -5.264  -8.074
  141   3HG2  ILE  22          HG21      ILE  22   4.498  -6.893  -8.680
  142   1HD1  ILE  22          HD12      ILE  22   2.019  -4.756  -9.175
  143   2HD1  ILE  22          HD11      ILE  22   2.750  -3.689  -7.978
  144   3HD1  ILE  22          HD13      ILE  22   1.979  -3.012  -9.410
  145    H    GLY  23           HN       GLY  23   7.650  -5.530 -11.546
  146   1HA   GLY  23           HA2      GLY  23   8.196  -2.825 -10.907
  147   2HA   GLY  23           HA1      GLY  23   9.230  -3.849 -11.906
  148    H    TYR  24           HN       TYR  24   6.741  -4.342 -13.628
  149    HA   TYR  24           HA       TYR  24   7.194  -2.786 -15.802
  150   1HB   TYR  24           HB2      TYR  24   5.434  -3.986 -16.624
  151   2HB   TYR  24           HB1      TYR  24   5.297  -4.684 -15.043
  152    HD1  TYR  24           HD1      TYR  24   4.389  -1.266 -16.153
  153    HD2  TYR  24           HD2      TYR  24   3.016  -5.055 -14.782
  154    HE1  TYR  24           HE1      TYR  24   2.220  -0.361 -15.906
  155    HE2  TYR  24           HE2      TYR  24   0.734  -4.130 -14.537
  156    HH   TYR  24           HH       TYR  24  -0.470  -2.208 -14.521
  157    H    ALA  25           HN       ALA  25   5.770  -1.633 -12.789
  158    HA   ALA  25           HA       ALA  25   6.226   0.894 -12.506
  159   1HB   ALA  25           HB3      ALA  25   4.709   0.988 -15.130
  160   2HB   ALA  25           HB2      ALA  25   5.115   2.403 -14.159
  161   3HB   ALA  25           HB1      ALA  25   6.398   1.427 -14.874
  162    H    TRP  26           HN       TRP  26   4.585  -0.693 -11.108
  163    HA   TRP  26           HA       TRP  26   2.260   0.993 -10.601
  164   1HB   TRP  26           HB2      TRP  26   0.742  -1.029 -10.739
  165   2HB   TRP  26           HB1      TRP  26   1.232  -0.311 -12.260
  166    HD1  TRP  26           HD1      TRP  26   3.924  -1.576 -12.794
  167    HE1  TRP  26           HE1      TRP  26   4.270  -4.029 -13.231
  168    HE3  TRP  26           HE3      TRP  26  -0.200  -3.360 -10.555
  169    HZ2  TRP  26           HZ2      TRP  26   2.935  -6.463 -12.780
  170    HZ3  TRP  26           HZ3      TRP  26  -0.690  -5.790 -10.567
  171    HH2  TRP  26           HH2      TRP  26   0.892  -7.355 -11.671
  172    H    ALA  27           HN       ALA  27   4.668  -0.265  -9.337
  173    HA   ALA  27           HA       ALA  27   3.686  -2.181  -7.511
  174   1HB   ALA  27           HB2      ALA  27   6.181  -0.596  -7.813
  175   2HB   ALA  27           HB1      ALA  27   5.831  -1.196  -6.192
  176   3HB   ALA  27           HB3      ALA  27   5.978  -2.326  -7.539
  177    H    MET  28           HN       MET  28   4.250   1.299  -7.334
  178    HA   MET  28           HA       MET  28   3.545   1.738  -4.691
  179   1HB   MET  28           HB2      MET  28   3.170   4.055  -5.329
  180   2HB   MET  28           HB1      MET  28   4.578   3.431  -6.189
  181   1HG   MET  28           HG2      MET  28   2.724   2.764  -7.989
  182   2HG   MET  28           HG1      MET  28   1.863   4.107  -7.237
  183   1HE   MET  28           HE3      MET  28   2.100   4.238  -9.855
  184   2HE   MET  28           HE2      MET  28   3.176   5.439 -10.562
  185   3HE   MET  28           HE1      MET  28   3.688   3.756 -10.472
  186    H    VAL  29           HN       VAL  29   1.546   1.066  -7.455
  187    HA   VAL  29           HA       VAL  29  -0.923   2.140  -6.532
  188    HB   VAL  29           HB       VAL  29  -0.406  -0.315  -8.234
  189   1HG1  VAL  29          HG12      VAL  29  -2.872   1.052  -7.318
  190   2HG1  VAL  29          HG11      VAL  29  -2.805   0.676  -9.040
  191   3HG1  VAL  29          HG13      VAL  29  -2.640  -0.613  -7.848
  192   1HG2  VAL  29          HG23      VAL  29  -0.475   2.622  -8.729
  193   2HG2  VAL  29          HG22      VAL  29   0.454   1.367  -9.548
  194   3HG2  VAL  29          HG21      VAL  29  -1.250   1.598  -9.938
  195    H    VAL  30           HN       VAL  30   0.231  -1.250  -6.284
  196    HA   VAL  30           HA       VAL  30  -1.884  -2.083  -4.543
  197    HB   VAL  30           HB       VAL  30  -0.329  -3.994  -4.007
  198   1HG1  VAL  30          HG11      VAL  30  -1.513  -3.232  -6.498
  199   2HG1  VAL  30          HG13      VAL  30   0.000  -4.071  -6.842
  200   3HG1  VAL  30          HG12      VAL  30  -1.244  -4.858  -5.871
  201   1HG2  VAL  30          HG23      VAL  30   1.674  -2.249  -4.510
  202   2HG2  VAL  30          HG22      VAL  30   1.875  -3.994  -4.664
  203   3HG2  VAL  30          HG21      VAL  30   1.556  -3.014  -6.095
  204    H    VAL  31           HN       VAL  31   1.205  -0.524  -3.941
  205    HA   VAL  31           HA       VAL  31   1.462  -1.067  -1.170
  206    HB   VAL  31           HB       VAL  31   2.230   1.428  -2.711
  207   1HG1  VAL  31          HG12      VAL  31   2.780   0.445   0.070
  208   2HG1  VAL  31          HG11      VAL  31   4.026   1.360  -0.776
  209   3HG1  VAL  31          HG13      VAL  31   2.445   2.084  -0.487
  210   1HG2  VAL  31          HG21      VAL  31   3.110  -1.154  -3.090
  211   2HG2  VAL  31          HG23      VAL  31   4.053   0.289  -3.463
  212   3HG2  VAL  31          HG22      VAL  31   4.280  -0.541  -1.922
  213    H    ILE  32           HN       ILE  32   0.195   1.982  -2.594
  214    HA   ILE  32           HA       ILE  32  -0.888   2.931  -0.170
  215    HB   ILE  32           HB       ILE  32  -0.624   4.384  -1.988
  216   1HG1  ILE  32          HG12      ILE  32  -2.861   5.442  -2.113
  217   2HG1  ILE  32          HG11      ILE  32  -3.549   3.968  -1.428
  218   1HG2  ILE  32          HG21      ILE  32  -1.279   2.418  -3.642
  219   2HG2  ILE  32          HG23      ILE  32  -2.840   3.234  -3.576
  220   3HG2  ILE  32          HG22      ILE  32  -1.411   4.107  -4.129
  221   1HD1  ILE  32          HD13      ILE  32  -2.083   4.258   0.572
  222   2HD1  ILE  32          HD12      ILE  32  -1.519   5.788  -0.101
  223   3HD1  ILE  32          HD11      ILE  32  -3.212   5.597   0.358
  224    H    VAL  33           HN       VAL  33  -2.697   1.333  -2.852
  225    HA   VAL  33           HA       VAL  33  -5.168   1.244  -1.567
  226    HB   VAL  33           HB       VAL  33  -3.846  -0.928  -3.236
  227   1HG1  VAL  33          HG11      VAL  33  -6.314  -0.944  -1.733
  228   2HG1  VAL  33          HG13      VAL  33  -6.660  -1.036  -3.460
  229   3HG1  VAL  33          HG12      VAL  33  -5.603  -2.232  -2.707
  230   1HG2  VAL  33          HG23      VAL  33  -4.399   1.503  -4.107
  231   2HG2  VAL  33          HG22      VAL  33  -4.812   0.102  -5.096
  232   3HG2  VAL  33          HG21      VAL  33  -6.056   0.900  -4.133
  233    H    GLY  34           HN       GLY  34  -2.232  -0.404  -0.737
  234   1HA   GLY  34           HA2      GLY  34  -3.455  -2.407   0.967
  235   2HA   GLY  34           HA1      GLY  34  -1.792  -1.812   1.109
  236    H    ALA  35           HN       ALA  35  -1.998   0.787   1.569
  237    HA   ALA  35           HA       ALA  35  -2.878   0.975   4.299
  238   1HB   ALA  35           HB1      ALA  35  -1.032   2.327   3.187
  239   2HB   ALA  35           HB3      ALA  35  -2.305   3.294   2.442
  240   3HB   ALA  35           HB2      ALA  35  -2.143   3.251   4.198
  241    H    THR  36           HN       THR  36  -4.240   2.519   1.280
  242    HA   THR  36           HA       THR  36  -6.387   3.850   2.483
  243    HB   THR  36           HB       THR  36  -6.745   2.351  -0.105
  244    HG1  THR  36           HG1      THR  36  -5.692   4.584  -0.739
  245   1HG2  THR  36          HG21      THR  36  -8.479   3.922   1.050
  246   2HG2  THR  36          HG23      THR  36  -7.422   5.220   0.494
  247   3HG2  THR  36          HG22      THR  36  -8.166   4.127  -0.673
  248    H    ILE  37           HN       ILE  37  -6.570   0.573   1.049
  249    HA   ILE  37           HA       ILE  37  -9.168  -0.020   2.099
  250    HB   ILE  37           HB       ILE  37  -6.885  -1.825   1.281
  251   1HG1  ILE  37          HG12      ILE  37  -9.437  -0.905  -0.086
  252   2HG1  ILE  37          HG11      ILE  37  -7.789  -0.475  -0.540
  253   1HG2  ILE  37          HG23      ILE  37  -9.623  -2.405   2.343
  254   2HG2  ILE  37          HG22      ILE  37  -9.014  -3.418   1.034
  255   3HG2  ILE  37          HG21      ILE  37  -8.125  -3.311   2.553
  256   1HD1  ILE  37          HD13      ILE  37  -7.370  -2.979  -0.845
  257   2HD1  ILE  37          HD12      ILE  37  -9.118  -3.183  -0.729
  258   3HD1  ILE  37          HD11      ILE  37  -8.428  -2.220  -2.035
  259    H    GLY  38           HN       GLY  38  -6.074   0.005   3.612
  260   1HA   GLY  38           HA2      GLY  38  -6.654  -1.856   5.752
  261   2HA   GLY  38           HA1      GLY  38  -5.352  -0.660   5.756
  262    H    ILE  39           HN       ILE  39  -6.183   1.669   5.941
  263    HA   ILE  39           HA       ILE  39  -7.690   1.930   8.355
  264    HB   ILE  39           HB       ILE  39  -6.817   3.886   6.214
  265   1HG1  ILE  39          HG12      ILE  39  -6.064   4.049   9.101
  266   2HG1  ILE  39          HG11      ILE  39  -5.359   2.742   8.149
  267   1HG2  ILE  39          HG23      ILE  39  -8.967   4.672   7.144
  268   2HG2  ILE  39          HG22      ILE  39  -8.325   4.496   8.777
  269   3HG2  ILE  39          HG21      ILE  39  -7.634   5.694   7.683
  270   1HD1  ILE  39          HD12      ILE  39  -5.275   5.673   7.379
  271   2HD1  ILE  39          HD11      ILE  39  -3.944   4.792   8.127
  272   3HD1  ILE  39          HD13      ILE  39  -4.501   4.345   6.515
  273    H    LYS  40           HN       LYS  40  -8.606   1.309   5.120
  274    HA   LYS  40           HA       LYS  40 -11.099   2.757   5.054
  275   1HB   LYS  40           HB2      LYS  40 -10.073   1.729   3.042
  276   2HB   LYS  40           HB1      LYS  40 -10.395   0.129   3.711
  277   1HG   LYS  40           HG2      LYS  40 -12.752   0.433   3.586
  278   2HG   LYS  40           HG1      LYS  40 -12.588   2.168   3.318
  279   1HD   LYS  40           HD2      LYS  40 -11.664   1.819   1.119
  280   2HD   LYS  40           HD1      LYS  40 -11.549   0.078   1.389
  281   1HE   LYS  40           HE2      LYS  40 -13.998  -0.073   1.556
  282   2HE   LYS  40           HE1      LYS  40 -14.130   1.670   1.320
  283   1HZ   LYS  40           HZ3      LYS  40 -12.823  -0.140  -0.628
  284   2HZ   LYS  40           HZ2      LYS  40 -14.464   0.291  -0.717
  285   3HZ   LYS  40           HZ1      LYS  40 -13.260   1.482  -0.854
  286    H    LEU  41           HN       LEU  41 -10.543  -0.738   5.676
  287    HA   LEU  41           HA       LEU  41 -13.212  -1.095   6.763
  288   1HB   LEU  41           HB2      LEU  41 -11.680  -2.873   5.695
  289   2HB   LEU  41           HB1      LEU  41 -10.869  -2.932   7.260
  290    HG   LEU  41           HG       LEU  41 -13.410  -3.120   8.112
  291   1HD1  LEU  41          HD11      LEU  41 -14.325  -3.004   5.814
  292   2HD1  LEU  41          HD13      LEU  41 -13.399  -4.441   5.381
  293   3HD1  LEU  41          HD12      LEU  41 -14.692  -4.552   6.574
  294   1HD2  LEU  41          HD22      LEU  41 -11.728  -5.390   7.002
  295   2HD2  LEU  41          HD21      LEU  41 -11.618  -4.711   8.627
  296   3HD2  LEU  41          HD23      LEU  41 -13.067  -5.587   8.133
  297    H    PHE  42           HN       PHE  42 -10.016  -0.523   8.177
  298    HA   PHE  42           HA       PHE  42 -10.667  -1.083  10.891
  299   1HB   PHE  42           HB2      PHE  42  -8.364  -0.774  10.309
  300   2HB   PHE  42           HB1      PHE  42  -8.680   0.825   9.638
  301    HD1  PHE  42           HD2      PHE  42 -10.133  -0.505  12.784
  302    HD2  PHE  42           HD1      PHE  42  -7.222   2.121  11.031
  303    HE1  PHE  42           HE2      PHE  42  -9.714   0.513  15.006
  304    HE2  PHE  42           HE1      PHE  42  -6.804   3.140  13.252
  305    HZ   PHE  42           HZ       PHE  42  -8.049   2.336  15.240
  306    H    LYS  43           HN       LYS  43 -10.576   2.113   9.275
  307    HA   LYS  43           HA       LYS  43 -11.791   3.513  11.454
  308   1HB   LYS  43           HB2      LYS  43 -10.884   4.125   8.793
  309   2HB   LYS  43           HB1      LYS  43 -12.474   4.843   9.044
  310   1HG   LYS  43           HG2      LYS  43 -11.706   5.941  11.078
  311   2HG   LYS  43           HG1      LYS  43 -10.141   5.136  10.957
  312   1HD   LYS  43           HD2      LYS  43  -9.554   7.097   9.923
  313   2HD   LYS  43           HD1      LYS  43 -10.234   6.280   8.514
  314   1HE   LYS  43           HE2      LYS  43 -12.500   7.303   9.350
  315   2HE   LYS  43           HE1      LYS  43 -11.457   8.423  10.229
  316   1HZ   LYS  43           HZ2      LYS  43 -10.883   7.920   7.401
  317   2HZ   LYS  43           HZ1      LYS  43 -12.211   8.909   7.782
  318   3HZ   LYS  43           HZ3      LYS  43 -10.660   9.334   8.318
  319    H    LYS  44           HN       LYS  44 -13.153   1.625   8.826
  320    HA   LYS  44           HA       LYS  44 -15.839   2.696   9.066
  321   1HB   LYS  44           HB2      LYS  44 -14.705   1.251   7.150
  322   2HB   LYS  44           HB1      LYS  44 -15.336  -0.097   8.098
  323   1HG   LYS  44           HG2      LYS  44 -17.563   1.274   8.100
  324   2HG   LYS  44           HG1      LYS  44 -16.848   2.110   6.721
  325   1HD   LYS  44           HD2      LYS  44 -16.696   0.107   5.447
  326   2HD   LYS  44           HD1      LYS  44 -16.985  -0.905   6.862
  327   1HE   LYS  44           HE2      LYS  44 -19.105  -0.934   5.952
  328   2HE   LYS  44           HE1      LYS  44 -19.246   0.513   6.951
  329   1HZ   LYS  44           HZ2      LYS  44 -18.338   0.603   4.133
  330   2HZ   LYS  44           HZ1      LYS  44 -19.975   0.734   4.569
  331   3HZ   LYS  44           HZ3      LYS  44 -18.861   1.893   5.108
  332    H    PHE  45           HN       PHE  45 -13.972   0.546  10.962
  333    HA   PHE  45           HA       PHE  45 -15.916  -1.236  11.988
  334   1HB   PHE  45           HB2      PHE  45 -13.255  -0.547  12.604
  335   2HB   PHE  45           HB1      PHE  45 -14.161  -0.301  14.096
  336    HD1  PHE  45           HD1      PHE  45 -13.314  -2.764  11.453
  337    HD2  PHE  45           HD2      PHE  45 -15.109  -2.147  15.308
  338    HE1  PHE  45           HE1      PHE  45 -13.391  -5.217  11.809
  339    HE2  PHE  45           HE2      PHE  45 -15.188  -4.600  15.663
  340    HZ   PHE  45           HZ       PHE  45 -14.328  -6.135  13.913
  341    H    THR  46           HN       THR  46 -15.382   2.167  12.686
  342    HA   THR  46           HA       THR  46 -17.882   2.782  13.561
  343    HB   THR  46           HB       THR  46 -17.776   1.232  15.397
  344    HG1  THR  46           HG1      THR  46 -17.591   2.799  17.199
  345   1HG2  THR  46          HG21      THR  46 -14.987   2.210  15.506
  346   2HG2  THR  46          HG23      THR  46 -15.740   1.908  17.073
  347   3HG2  THR  46          HG22      THR  46 -15.634   0.613  15.879
  348    H    SER  47           HN       SER  47 -16.014   4.167  12.191
  349    HA   SER  47           HA       SER  47 -15.462   6.439  14.033
  350   1HB   SER  47           HB2      SER  47 -13.439   4.783  13.245
  351   2HB   SER  47           HB1      SER  47 -13.412   5.976  11.951
  352    HG   SER  47           HG       SER  47 -13.655   6.871  14.590
  353    H    LYS  48           HN       LYS  48 -17.453   7.174  12.864
  354    HA   LYS  48           HA       LYS  48 -18.412   8.628  11.301
  355   1HB   LYS  48           HB2      LYS  48 -15.538   9.035  11.068
  356   2HB   LYS  48           HB1      LYS  48 -16.360   9.268   9.526
  357   1HG   LYS  48           HG2      LYS  48 -17.431  10.506  12.057
  358   2HG   LYS  48           HG1      LYS  48 -16.178  11.309  11.110
  359   1HD   LYS  48           HD2      LYS  48 -17.762  10.894   9.086
  360   2HD   LYS  48           HD1      LYS  48 -19.005  10.652  10.314
  361   1HE   LYS  48           HE2      LYS  48 -17.224  13.083  10.371
  362   2HE   LYS  48           HE1      LYS  48 -18.685  13.048   9.384
  363   1HZ   LYS  48           HZ2      LYS  48 -19.799  12.244  11.535
  364   2HZ   LYS  48           HZ1      LYS  48 -18.428  12.875  12.315
  365   3HZ   LYS  48           HZ3      LYS  48 -19.420  13.893  11.389
  366    H    ALA  49           HN       ALA  49 -17.654   5.638  10.856
  367    HA   ALA  49           HA       ALA  49 -17.821   4.063   9.111
  368   1HB   ALA  49           HB2      ALA  49 -20.113   5.558   9.259
  369   2HB   ALA  49           HB1      ALA  49 -19.667   5.772   7.566
  370   3HB   ALA  49           HB3      ALA  49 -19.912   4.151   8.216
  371    H    SER  50           HN       SER  50 -15.674   4.395   8.256
  372    HA   SER  50           HA       SER  50 -15.286   6.385   6.132
  373   1HB   SER  50           HB2      SER  50 -13.571   4.366   7.525
  374   2HB   SER  50           HB1      SER  50 -13.054   4.960   5.949
  375    HG   SER  50           HG       SER  50 -12.262   6.481   7.229
   
  No H/Q in entry =         375